data_26059 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 26059 _Entry.PDB_ID 2NDF 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 26059 _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 4 4 MET C C 4 175.800 175.800 176.261 -0.461 26059 2 1 1 . 1 1 4 4 MET CA C 4 55.350 55.350 56.291 -0.941 26059 3 1 1 . 1 1 4 4 MET CB C 4 32.880 32.880 33.676 -0.796 26059 4 1 1 . 1 1 5 5 ALA N N 5 125.230 125.230 122.080 3.150 26059 5 1 1 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.552 -0.202 26059 6 1 1 . 1 1 5 5 ALA CA C 5 52.430 52.430 51.041 1.389 26059 7 1 1 . 1 1 5 5 ALA CB C 5 19.370 19.370 20.283 -0.913 26059 8 1 1 . 1 1 5 5 ALA H H 5 8.320 8.320 7.651 0.669 26059 9 1 1 . 1 1 6 6 SER HA H 6 4.490 4.490 4.339 0.151 26059 10 1 1 . 1 1 6 6 SER CA C 6 58.200 58.200 58.237 -0.037 26059 11 1 1 . 1 1 6 6 SER CB C 6 63.700 63.700 62.387 1.313 26059 12 1 1 . 1 1 7 7 SER HA H 7 4.530 4.530 4.847 -0.317 26059 13 1 1 . 1 1 7 7 SER CA C 7 58.200 58.200 57.354 0.846 26059 14 1 1 . 1 1 7 7 SER CB C 7 63.700 63.700 65.391 -1.691 26059 15 1 1 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.525 0.085 26059 16 1 1 . 1 1 8 8 CYS C C 8 173.500 173.500 173.536 -0.036 26059 17 1 1 . 1 1 8 8 CYS CA C 8 58.340 58.340 58.789 -0.449 26059 18 1 1 . 1 1 8 8 CYS CB C 8 28.490 28.490 27.660 0.830 26059 19 1 1 . 1 1 9 9 ALA N N 9 124.700 124.700 128.722 -4.022 26059 20 1 1 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.210 -0.420 26059 21 1 1 . 1 1 9 9 ALA C C 9 177.400 177.400 176.327 1.073 26059 22 1 1 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.577 1.493 26059 23 1 1 . 1 1 9 9 ALA CB C 9 20.629 20.629 21.354 -0.725 26059 24 1 1 . 1 1 9 9 ALA H H 9 7.960 7.960 8.506 -0.546 26059 25 1 1 . 1 1 10 10 VAL N N 10 120.124 120.124 121.965 -1.841 26059 26 1 1 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.293 -0.003 26059 27 1 1 . 1 1 10 10 VAL C C 10 173.900 173.900 174.948 -1.048 26059 28 1 1 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.088 0.462 26059 29 1 1 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.596 1.304 26059 30 1 1 . 1 1 10 10 VAL H H 10 8.424 8.424 8.558 -0.134 26059 31 1 1 . 1 1 11 11 GLN N N 11 125.818 125.818 124.218 1.600 26059 32 1 1 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.284 0.276 26059 33 1 1 . 1 1 11 11 GLN C C 11 175.400 175.400 175.368 0.032 26059 34 1 1 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.551 -0.428 26059 35 1 1 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.985 1.044 26059 36 1 1 . 1 1 11 11 GLN H H 11 8.636 8.636 8.424 0.212 26059 37 1 1 . 1 1 12 12 VAL N N 12 119.106 119.106 117.680 1.426 26059 38 1 1 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.366 0.264 26059 39 1 1 . 1 1 12 12 VAL C C 12 173.800 173.800 174.288 -0.488 26059 40 1 1 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.275 0.525 26059 41 1 1 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.925 1.786 26059 42 1 1 . 1 1 12 12 VAL H H 12 8.827 8.827 8.652 0.175 26059 43 1 1 . 1 1 13 13 LYS N N 13 121.700 121.700 121.337 0.363 26059 44 1 1 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.324 -0.124 26059 45 1 1 . 1 1 13 13 LYS C C 13 175.030 175.030 174.965 0.065 26059 46 1 1 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.358 0.072 26059 47 1 1 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.599 0.321 26059 48 1 1 . 1 1 13 13 LYS H H 13 8.234 8.234 8.348 -0.114 26059 49 1 1 . 1 1 14 14 LEU N N 14 119.100 119.100 123.578 -4.478 26059 50 1 1 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.375 -0.425 26059 51 1 1 . 1 1 14 14 LEU C C 14 175.110 175.110 175.006 0.104 26059 52 1 1 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.133 0.224 26059 53 1 1 . 1 1 14 14 LEU CB C 14 46.921 46.921 46.776 0.145 26059 54 1 1 . 1 1 14 14 LEU H H 14 8.840 8.840 9.124 -0.284 26059 55 1 1 . 1 1 15 15 GLU N N 15 120.978 120.978 122.150 -1.172 26059 56 1 1 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.361 -0.371 26059 57 1 1 . 1 1 15 15 GLU C C 15 173.800 173.800 174.889 -1.089 26059 58 1 1 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.261 1.167 26059 59 1 1 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.806 -0.980 26059 60 1 1 . 1 1 15 15 GLU H H 15 9.181 9.181 9.002 0.179 26059 61 1 1 . 1 1 16 16 LEU N N 16 124.438 124.438 127.466 -3.028 26059 62 1 1 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.282 -0.172 26059 63 1 1 . 1 1 16 16 LEU C C 16 174.700 174.700 176.023 -1.323 26059 64 1 1 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.791 0.285 26059 65 1 1 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.193 3.699 26059 66 1 1 . 1 1 16 16 LEU H H 16 8.891 8.891 8.310 0.581 26059 67 1 1 . 1 1 17 17 GLY N N 17 108.067 108.067 110.640 -2.573 26059 68 1 1 . 1 1 17 17 GLY C C 17 170.350 170.350 171.601 -1.251 26059 69 1 1 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.834 2.150 26059 70 1 1 . 1 1 17 17 GLY H H 17 7.227 7.227 8.802 -1.575 26059 71 1 1 . 1 1 18 18 HIS N N 18 111.200 111.200 116.737 -5.537 26059 72 1 1 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.157 0.463 26059 73 1 1 . 1 1 18 18 HIS C C 18 172.400 172.400 172.682 -0.282 26059 74 1 1 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.847 0.093 26059 75 1 1 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.769 1.391 26059 76 1 1 . 1 1 18 18 HIS H H 18 8.150 8.150 8.487 -0.337 26059 77 1 1 . 1 1 19 19 ARG N N 19 117.800 117.800 121.816 -4.016 26059 78 1 1 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.367 -0.267 26059 79 1 1 . 1 1 19 19 ARG C C 19 175.800 175.800 174.674 1.126 26059 80 1 1 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.146 -0.646 26059 81 1 1 . 1 1 19 19 ARG CB C 19 34.650 34.650 33.434 1.216 26059 82 1 1 . 1 1 19 19 ARG H H 19 9.010 9.010 8.278 0.732 26059 83 1 1 . 1 1 20 20 ALA N N 20 120.390 120.390 126.297 -5.907 26059 84 1 1 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.169 0.371 26059 85 1 1 . 1 1 20 20 ALA C C 20 175.800 175.800 175.553 0.247 26059 86 1 1 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.638 0.952 26059 87 1 1 . 1 1 20 20 ALA CB C 20 23.750 23.750 21.624 2.126 26059 88 1 1 . 1 1 20 20 ALA H H 20 8.070 8.070 8.754 -0.684 26059 89 1 1 . 1 1 21 21 GLN N N 21 121.790 121.790 124.254 -2.464 26059 90 1 1 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.064 0.166 26059 91 1 1 . 1 1 21 21 GLN CA C 21 54.330 54.330 54.032 0.298 26059 92 1 1 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.906 -0.006 26059 93 1 1 . 1 1 21 21 GLN H H 21 9.240 9.240 8.814 0.426 26059 94 1 1 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.468 -0.838 26059 95 1 1 . 1 1 22 22 VAL C C 22 176.500 176.500 175.370 1.130 26059 96 1 1 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.104 2.926 26059 97 1 1 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.495 -2.895 26059 98 1 1 . 1 1 23 23 ARG N N 23 127.840 127.840 124.337 3.503 26059 99 1 1 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.650 -0.520 26059 100 1 1 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.918 1.282 26059 101 1 1 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.265 0.885 26059 102 1 1 . 1 1 23 23 ARG H H 23 8.720 8.720 8.704 0.016 26059 103 1 1 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.219 -0.179 26059 104 1 1 . 1 1 24 24 LYS C C 24 176.960 176.960 176.328 0.632 26059 105 1 1 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.692 1.108 26059 106 1 1 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.713 -0.653 26059 107 1 1 . 1 1 25 25 LYS N N 25 115.870 115.870 119.253 -3.383 26059 108 1 1 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.726 0.104 26059 109 1 1 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.512 -0.552 26059 110 1 1 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.691 1.389 26059 111 1 1 . 1 1 25 25 LYS H H 25 7.720 7.720 7.646 0.074 26059 112 1 1 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.519 0.311 26059 113 1 1 . 1 1 26 26 PRO C C 26 177.400 177.400 176.915 0.485 26059 114 1 1 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.154 -0.504 26059 115 1 1 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.239 0.151 26059 116 1 1 . 1 1 27 27 THR N N 27 111.270 111.270 114.822 -3.552 26059 117 1 1 . 1 1 27 27 THR HA H 27 4.530 4.530 4.256 0.274 26059 118 1 1 . 1 1 27 27 THR C C 27 177.300 177.300 177.037 0.263 26059 119 1 1 . 1 1 27 27 THR CA C 27 61.300 61.300 61.495 -0.195 26059 120 1 1 . 1 1 27 27 THR CB C 27 71.460 71.460 69.892 1.568 26059 121 1 1 . 1 1 27 27 THR H H 27 8.380 8.380 8.202 0.178 26059 122 1 1 . 1 1 28 28 VAL N N 28 121.170 121.170 118.521 2.649 26059 123 1 1 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.967 -0.084 26059 124 1 1 . 1 1 28 28 VAL C C 28 177.030 177.030 176.027 1.003 26059 125 1 1 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.659 0.541 26059 126 1 1 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.506 -0.106 26059 127 1 1 . 1 1 28 28 VAL H H 28 8.910 8.910 8.462 0.448 26059 128 1 1 . 1 1 29 29 GLU N N 29 116.800 116.800 118.347 -1.547 26059 129 1 1 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.084 -0.164 26059 130 1 1 . 1 1 29 29 GLU C C 29 176.200 176.200 176.765 -0.565 26059 131 1 1 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.328 1.922 26059 132 1 1 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.272 -0.102 26059 133 1 1 . 1 1 29 29 GLU H H 29 7.990 7.990 7.950 0.040 26059 134 1 1 . 1 1 30 30 GLY N N 30 105.500 105.500 108.238 -2.738 26059 135 1 1 . 1 1 30 30 GLY C C 30 174.900 174.900 174.177 0.723 26059 136 1 1 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.549 -1.089 26059 137 1 1 . 1 1 30 30 GLY H H 30 7.950 7.950 7.710 0.240 26059 138 1 1 . 1 1 31 31 PHE N N 31 119.300 119.300 118.674 0.626 26059 139 1 1 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.832 -0.072 26059 140 1 1 . 1 1 31 31 PHE C C 31 176.400 176.400 176.239 0.161 26059 141 1 1 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.745 1.155 26059 142 1 1 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.811 -4.311 26059 143 1 1 . 1 1 31 31 PHE H H 31 7.520 7.520 7.408 0.112 26059 144 1 1 . 1 1 32 32 THR N N 32 112.300 112.300 116.096 -3.796 26059 145 1 1 . 1 1 32 32 THR HA H 32 4.330 4.330 4.368 -0.038 26059 146 1 1 . 1 1 32 32 THR C C 32 175.200 175.200 174.349 0.851 26059 147 1 1 . 1 1 32 32 THR CA C 32 62.780 62.780 63.153 -0.373 26059 148 1 1 . 1 1 32 32 THR CB C 32 70.350 70.350 69.535 0.815 26059 149 1 1 . 1 1 32 32 THR H H 32 7.770 7.770 8.810 -1.040 26059 150 1 1 . 1 1 33 33 HIS N N 33 121.900 121.900 120.578 1.322 26059 151 1 1 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.380 0.120 26059 152 1 1 . 1 1 33 33 HIS C C 33 173.880 173.880 173.662 0.218 26059 153 1 1 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.856 0.924 26059 154 1 1 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.805 1.835 26059 155 1 1 . 1 1 33 33 HIS H H 33 9.110 9.110 8.648 0.462 26059 156 1 1 . 1 1 34 34 ASP N N 34 120.300 120.300 122.243 -1.943 26059 157 1 1 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.569 -0.169 26059 158 1 1 . 1 1 34 34 ASP C C 34 175.100 175.100 174.991 0.109 26059 159 1 1 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.684 -0.374 26059 160 1 1 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.709 -0.709 26059 161 1 1 . 1 1 34 34 ASP H H 34 8.810 8.810 9.075 -0.265 26059 162 1 1 . 1 1 35 35 TRP N N 35 119.800 119.800 122.238 -2.438 26059 163 1 1 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.816 -0.086 26059 164 1 1 . 1 1 35 35 TRP C C 35 174.900 174.900 173.730 1.170 26059 165 1 1 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.191 0.709 26059 166 1 1 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.743 1.927 26059 167 1 1 . 1 1 35 35 TRP H H 35 9.250 9.250 8.779 0.471 26059 168 1 1 . 1 1 36 36 MET N N 36 120.980 120.980 124.615 -3.635 26059 169 1 1 . 1 1 36 36 MET HA H 36 5.750 5.750 5.821 -0.071 26059 170 1 1 . 1 1 36 36 MET C C 36 173.700 173.700 174.934 -1.234 26059 171 1 1 . 1 1 36 36 MET CA C 36 54.830 54.830 53.757 1.073 26059 172 1 1 . 1 1 36 36 MET CB C 36 35.220 35.220 35.340 -0.120 26059 173 1 1 . 1 1 36 36 MET H H 36 9.080 9.080 9.017 0.063 26059 174 1 1 . 1 1 37 37 VAL N N 37 126.220 126.220 122.696 3.524 26059 175 1 1 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.126 0.184 26059 176 1 1 . 1 1 37 37 VAL C C 37 172.300 172.300 174.579 -2.279 26059 177 1 1 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.911 -1.371 26059 178 1 1 . 1 1 37 37 VAL CB C 37 35.070 35.070 32.862 2.208 26059 179 1 1 . 1 1 37 37 VAL H H 37 9.080 9.080 8.768 0.312 26059 180 1 1 . 1 1 38 38 PHE N N 38 120.640 120.640 119.045 1.595 26059 181 1 1 . 1 1 38 38 PHE HA H 38 5.970 5.970 5.945 0.025 26059 182 1 1 . 1 1 38 38 PHE C C 38 172.960 172.960 173.575 -0.615 26059 183 1 1 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.312 0.818 26059 184 1 1 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.491 0.509 26059 185 1 1 . 1 1 38 38 PHE H H 38 8.320 8.320 8.776 -0.456 26059 186 1 1 . 1 1 39 39 VAL N N 39 116.500 116.500 117.763 -1.263 26059 187 1 1 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.838 -0.828 26059 188 1 1 . 1 1 39 39 VAL C C 39 174.700 174.700 174.944 -0.244 26059 189 1 1 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.095 1.545 26059 190 1 1 . 1 1 39 39 VAL CB C 39 35.400 35.400 34.647 0.753 26059 191 1 1 . 1 1 39 39 VAL H H 39 8.580 8.580 8.979 -0.399 26059 192 1 1 . 1 1 40 40 ARG N N 40 124.100 124.100 124.158 -0.058 26059 193 1 1 . 1 1 40 40 ARG HA H 40 5.080 5.080 4.810 0.270 26059 194 1 1 . 1 1 40 40 ARG C C 40 173.800 173.800 175.506 -1.706 26059 195 1 1 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.241 1.059 26059 196 1 1 . 1 1 40 40 ARG CB C 40 33.580 33.580 33.980 -0.400 26059 197 1 1 . 1 1 40 40 ARG H H 40 9.880 9.880 8.820 1.060 26059 198 1 1 . 1 1 41 41 GLY N N 41 107.640 107.640 107.594 0.046 26059 199 1 1 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.596 1.374 26059 200 1 1 . 1 1 41 41 GLY H H 41 8.910 8.910 8.033 0.877 26059 201 1 1 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.359 0.131 26059 202 1 1 . 1 1 42 42 PRO C C 42 177.300 177.300 176.372 0.928 26059 203 1 1 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.951 -1.511 26059 204 1 1 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.316 0.794 26059 205 1 1 . 1 1 43 43 GLU N N 43 121.050 121.050 122.165 -1.115 26059 206 1 1 . 1 1 43 43 GLU HA H 43 3.790 3.790 4.003 -0.213 26059 207 1 1 . 1 1 43 43 GLU C C 43 176.110 176.110 175.348 0.762 26059 208 1 1 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.628 0.222 26059 209 1 1 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.216 0.634 26059 210 1 1 . 1 1 43 43 GLU H H 43 9.060 9.060 8.937 0.123 26059 211 1 1 . 1 1 44 44 HIS N N 44 114.100 114.100 111.312 2.788 26059 212 1 1 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.151 0.200 26059 213 1 1 . 1 1 44 44 HIS C C 44 175.170 175.170 174.328 0.842 26059 214 1 1 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.214 0.436 26059 215 1 1 . 1 1 44 44 HIS CB C 44 28.370 28.370 28.449 -0.079 26059 216 1 1 . 1 1 44 44 HIS H H 44 8.420 8.420 8.015 0.405 26059 217 1 1 . 1 1 45 45 SER N N 45 115.540 115.540 115.721 -0.181 26059 218 1 1 . 1 1 45 45 SER HA H 45 4.560 4.560 4.393 0.167 26059 219 1 1 . 1 1 45 45 SER C C 45 173.700 173.700 174.890 -1.190 26059 220 1 1 . 1 1 45 45 SER CA C 45 58.710 58.710 58.432 0.278 26059 221 1 1 . 1 1 45 45 SER CB C 45 64.500 64.500 63.943 0.557 26059 222 1 1 . 1 1 45 45 SER H H 45 7.870 7.870 7.521 0.349 26059 223 1 1 . 1 1 46 46 ASN N N 46 123.900 123.900 122.113 1.787 26059 224 1 1 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.726 0.394 26059 225 1 1 . 1 1 46 46 ASN C C 46 176.300 176.300 175.865 0.435 26059 226 1 1 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.272 -0.582 26059 227 1 1 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.377 -0.647 26059 228 1 1 . 1 1 46 46 ASN H H 46 9.480 9.480 8.726 0.754 26059 229 1 1 . 1 1 47 47 ILE N N 47 115.240 115.240 119.855 -4.615 26059 230 1 1 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.130 -0.190 26059 231 1 1 . 1 1 47 47 ILE C C 47 176.000 176.000 176.653 -0.653 26059 232 1 1 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.268 1.932 26059 233 1 1 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.166 -0.466 26059 234 1 1 . 1 1 47 47 ILE H H 47 8.170 8.170 8.391 -0.221 26059 235 1 1 . 1 1 48 48 GLN N N 48 123.200 123.200 120.495 2.705 26059 236 1 1 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.212 0.068 26059 237 1 1 . 1 1 48 48 GLN C C 48 175.670 175.670 176.693 -1.023 26059 238 1 1 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.115 -0.215 26059 239 1 1 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.980 -0.990 26059 240 1 1 . 1 1 48 48 GLN H H 48 8.850 8.850 8.126 0.724 26059 241 1 1 . 1 1 49 49 HIS N N 49 115.400 115.400 116.893 -1.493 26059 242 1 1 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.385 0.185 26059 243 1 1 . 1 1 49 49 HIS C C 49 176.380 176.380 176.580 -0.200 26059 244 1 1 . 1 1 49 49 HIS CA C 49 58.750 58.750 58.912 -0.162 26059 245 1 1 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.406 1.214 26059 246 1 1 . 1 1 49 49 HIS H H 49 7.400 7.400 7.927 -0.527 26059 247 1 1 . 1 1 50 50 PHE N N 50 109.800 109.800 112.031 -2.231 26059 248 1 1 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.829 0.401 26059 249 1 1 . 1 1 50 50 PHE C C 50 173.800 173.800 174.822 -1.022 26059 250 1 1 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.307 -0.647 26059 251 1 1 . 1 1 50 50 PHE CB C 50 41.000 41.000 40.154 0.846 26059 252 1 1 . 1 1 50 50 PHE H H 50 7.570 7.570 7.499 0.071 26059 253 1 1 . 1 1 51 51 VAL N N 51 127.810 127.810 121.630 6.180 26059 254 1 1 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.637 -0.267 26059 255 1 1 . 1 1 51 51 VAL C C 51 174.500 174.500 175.412 -0.912 26059 256 1 1 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.727 0.273 26059 257 1 1 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.399 0.881 26059 258 1 1 . 1 1 51 51 VAL H H 51 7.810 7.810 8.099 -0.289 26059 259 1 1 . 1 1 52 52 GLU N N 52 130.700 130.700 129.336 1.364 26059 260 1 1 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.391 -0.411 26059 261 1 1 . 1 1 52 52 GLU C C 52 175.400 175.400 175.484 -0.084 26059 262 1 1 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.746 0.254 26059 263 1 1 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.436 0.144 26059 264 1 1 . 1 1 52 52 GLU H H 52 9.380 9.380 8.942 0.438 26059 265 1 1 . 1 1 53 53 LYS N N 53 109.200 109.200 116.590 -7.390 26059 266 1 1 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.723 0.077 26059 267 1 1 . 1 1 53 53 LYS C C 53 172.300 172.300 174.207 -1.907 26059 268 1 1 . 1 1 53 53 LYS CA C 53 54.840 54.840 55.337 -0.496 26059 269 1 1 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.791 -1.541 26059 270 1 1 . 1 1 53 53 LYS H H 53 7.190 7.190 7.523 -0.333 26059 271 1 1 . 1 1 54 54 VAL N N 54 120.380 120.380 121.387 -1.007 26059 272 1 1 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.818 -0.048 26059 273 1 1 . 1 1 54 54 VAL C C 54 173.600 173.600 173.728 -0.128 26059 274 1 1 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.251 0.789 26059 275 1 1 . 1 1 54 54 VAL CB C 54 34.700 34.700 36.032 -1.332 26059 276 1 1 . 1 1 54 54 VAL H H 54 8.450 8.450 8.147 0.303 26059 277 1 1 . 1 1 55 55 VAL N N 55 126.920 126.920 121.672 5.248 26059 278 1 1 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.338 -0.638 26059 279 1 1 . 1 1 55 55 VAL C C 55 173.800 173.800 173.510 0.290 26059 280 1 1 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.383 1.486 26059 281 1 1 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.965 -1.865 26059 282 1 1 . 1 1 55 55 VAL H H 55 9.260 9.260 8.415 0.845 26059 283 1 1 . 1 1 56 56 PHE N N 56 126.130 126.130 126.866 -0.736 26059 284 1 1 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.856 -0.134 26059 285 1 1 . 1 1 56 56 PHE C C 56 174.000 174.000 174.817 -0.817 26059 286 1 1 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.080 0.500 26059 287 1 1 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.815 0.075 26059 288 1 1 . 1 1 56 56 PHE H H 56 9.290 9.290 9.120 0.170 26059 289 1 1 . 1 1 57 57 HIS N N 57 124.180 124.180 125.235 -1.055 26059 290 1 1 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.939 -0.139 26059 291 1 1 . 1 1 57 57 HIS C C 57 174.700 174.700 175.037 -0.337 26059 292 1 1 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.621 -1.301 26059 293 1 1 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.114 1.986 26059 294 1 1 . 1 1 57 57 HIS H H 57 8.690 8.690 8.254 0.436 26059 295 1 1 . 1 1 58 58 LEU N N 58 122.050 122.050 124.330 -2.280 26059 296 1 1 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.534 -0.224 26059 297 1 1 . 1 1 58 58 LEU C C 58 174.400 174.400 176.891 -2.491 26059 298 1 1 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.283 1.127 26059 299 1 1 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.764 -1.604 26059 300 1 1 . 1 1 58 58 LEU H H 58 9.050 9.050 8.761 0.289 26059 301 1 1 . 1 1 59 59 HIS N N 59 118.510 118.510 118.194 0.316 26059 302 1 1 . 1 1 59 59 HIS C C 59 175.300 175.300 176.832 -1.532 26059 303 1 1 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.971 3.139 26059 304 1 1 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.308 -0.378 26059 305 1 1 . 1 1 59 59 HIS H H 59 5.160 5.160 8.201 -3.041 26059 306 1 1 . 1 1 60 60 GLU N N 60 122.190 122.190 125.444 -3.254 26059 307 1 1 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.171 -0.211 26059 308 1 1 . 1 1 60 60 GLU C C 60 175.130 175.130 177.220 -2.090 26059 309 1 1 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.253 -0.243 26059 310 1 1 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.752 0.069 26059 311 1 1 . 1 1 60 60 GLU H H 60 7.960 7.960 8.777 -0.817 26059 312 1 1 . 1 1 61 61 SER N N 61 116.940 116.940 113.358 3.582 26059 313 1 1 . 1 1 61 61 SER HA H 61 4.200 4.200 4.346 -0.146 26059 314 1 1 . 1 1 61 61 SER CA C 61 60.010 60.010 60.120 -0.110 26059 315 1 1 . 1 1 61 61 SER CB C 61 63.140 63.140 63.492 -0.352 26059 316 1 1 . 1 1 61 61 SER H H 61 8.540 8.540 8.496 0.044 26059 317 1 1 . 1 1 62 62 PHE N N 62 123.700 123.700 122.671 1.029 26059 318 1 1 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.748 -0.158 26059 319 1 1 . 1 1 62 62 PHE CA C 62 57.400 57.400 56.249 1.151 26059 320 1 1 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.029 -0.629 26059 321 1 1 . 1 1 62 62 PHE H H 62 8.640 8.640 8.114 0.526 26059 322 1 1 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.487 -0.077 26059 323 1 1 . 1 1 63 63 PRO C C 63 176.400 176.400 176.259 0.141 26059 324 1 1 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.459 -0.859 26059 325 1 1 . 1 1 63 63 PRO CB C 63 31.860 31.860 31.881 -0.021 26059 326 1 1 . 1 1 64 64 ARG N N 64 116.840 116.840 121.198 -4.358 26059 327 1 1 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.119 -0.019 26059 328 1 1 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.018 -0.408 26059 329 1 1 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.842 -0.012 26059 330 1 1 . 1 1 64 64 ARG H H 64 8.890 8.890 8.756 0.134 26059 331 1 1 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.346 -0.356 26059 332 1 1 . 1 1 65 65 PRO C C 65 175.800 175.800 176.740 -0.940 26059 333 1 1 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.737 1.073 26059 334 1 1 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.240 -0.360 26059 335 1 1 . 1 1 66 66 LYS N N 66 119.035 119.035 119.513 -0.478 26059 336 1 1 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.528 0.082 26059 337 1 1 . 1 1 66 66 LYS C C 66 175.400 175.400 175.674 -0.274 26059 338 1 1 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.375 0.078 26059 339 1 1 . 1 1 66 66 LYS CB C 66 31.730 31.730 33.229 -1.499 26059 340 1 1 . 1 1 66 66 LYS H H 66 7.630 7.630 7.926 -0.296 26059 341 1 1 . 1 1 67 67 ARG N N 67 127.394 127.394 128.248 -0.854 26059 342 1 1 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.698 0.042 26059 343 1 1 . 1 1 67 67 ARG C C 67 174.500 174.500 174.995 -0.495 26059 344 1 1 . 1 1 67 67 ARG CA C 67 52.800 52.800 53.013 -0.213 26059 345 1 1 . 1 1 67 67 ARG CB C 67 29.714 29.714 30.335 -0.621 26059 346 1 1 . 1 1 67 67 ARG H H 67 8.855 8.855 8.488 0.367 26059 347 1 1 . 1 1 68 68 VAL N N 68 124.388 124.388 120.945 3.443 26059 348 1 1 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.372 -0.792 26059 349 1 1 . 1 1 68 68 VAL C C 68 176.850 176.850 176.035 0.815 26059 350 1 1 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.553 1.520 26059 351 1 1 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.341 0.263 26059 352 1 1 . 1 1 68 68 VAL H H 68 8.681 8.681 8.318 0.363 26059 353 1 1 . 1 1 69 69 CYS N N 69 127.080 127.080 128.514 -1.434 26059 354 1 1 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.865 0.205 26059 355 1 1 . 1 1 69 69 CYS CA C 69 58.346 58.346 57.523 0.823 26059 356 1 1 . 1 1 69 69 CYS CB C 69 30.170 30.170 28.491 1.679 26059 357 1 1 . 1 1 69 69 CYS H H 69 9.455 9.455 9.163 0.292 26059 358 1 1 . 1 1 70 70 LYS N N 70 125.480 125.480 124.329 1.151 26059 359 1 1 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.552 -0.062 26059 360 1 1 . 1 1 70 70 LYS C C 70 174.300 174.300 176.643 -2.343 26059 361 1 1 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.421 -0.061 26059 362 1 1 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.282 -0.112 26059 363 1 1 . 1 1 70 70 LYS H H 70 9.050 9.050 8.629 0.421 26059 364 1 1 . 1 1 71 71 ASP N N 71 116.940 116.940 121.522 -4.582 26059 365 1 1 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.764 0.336 26059 366 1 1 . 1 1 71 71 ASP CA C 71 51.080 51.080 52.967 -1.887 26059 367 1 1 . 1 1 71 71 ASP CB C 71 43.380 43.380 41.451 1.929 26059 368 1 1 . 1 1 71 71 ASP H H 71 7.620 7.620 8.093 -0.473 26059 369 1 1 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.197 -0.937 26059 370 1 1 . 1 1 72 72 PRO CA C 72 60.650 60.650 63.035 -2.385 26059 371 1 1 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.756 -0.716 26059 372 1 1 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.983 0.117 26059 373 1 1 . 1 1 73 73 PRO C C 73 174.700 174.700 176.486 -1.786 26059 374 1 1 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.855 -2.165 26059 375 1 1 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.538 2.502 26059 376 1 1 . 1 1 74 74 TYR N N 74 125.400 125.400 124.949 0.451 26059 377 1 1 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.430 0.420 26059 378 1 1 . 1 1 74 74 TYR C C 74 172.900 172.900 175.259 -2.359 26059 379 1 1 . 1 1 74 74 TYR CA C 74 55.670 55.670 58.697 -3.027 26059 380 1 1 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.573 -1.173 26059 381 1 1 . 1 1 74 74 TYR H H 74 8.960 8.960 8.506 0.454 26059 382 1 1 . 1 1 75 75 LYS N N 75 121.400 121.400 119.808 1.592 26059 383 1 1 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.427 0.163 26059 384 1 1 . 1 1 75 75 LYS C C 75 173.800 173.800 174.944 -1.144 26059 385 1 1 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.229 0.421 26059 386 1 1 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.151 -1.261 26059 387 1 1 . 1 1 75 75 LYS H H 75 7.670 7.670 7.958 -0.288 26059 388 1 1 . 1 1 76 76 VAL N N 76 119.800 119.800 122.243 -2.443 26059 389 1 1 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.258 -0.368 26059 390 1 1 . 1 1 76 76 VAL C C 76 173.900 173.900 174.541 -0.641 26059 391 1 1 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.502 1.228 26059 392 1 1 . 1 1 76 76 VAL CB C 76 35.540 35.540 34.623 0.917 26059 393 1 1 . 1 1 76 76 VAL H H 76 8.180 8.180 8.627 -0.447 26059 394 1 1 . 1 1 77 77 GLU N N 77 126.190 126.190 126.892 -0.702 26059 395 1 1 . 1 1 77 77 GLU HA H 77 4.950 4.950 4.964 -0.014 26059 396 1 1 . 1 1 77 77 GLU C C 77 174.700 174.700 175.375 -0.675 26059 397 1 1 . 1 1 77 77 GLU CA C 77 54.940 54.940 55.036 -0.096 26059 398 1 1 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.144 0.406 26059 399 1 1 . 1 1 77 77 GLU H H 77 8.270 8.270 8.770 -0.500 26059 400 1 1 . 1 1 78 78 GLU N N 78 126.180 126.180 123.746 2.434 26059 401 1 1 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.620 -0.170 26059 402 1 1 . 1 1 78 78 GLU C C 78 175.400 175.400 173.758 1.642 26059 403 1 1 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.016 -0.016 26059 404 1 1 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.646 3.454 26059 405 1 1 . 1 1 78 78 GLU H H 78 7.870 7.870 8.004 -0.134 26059 406 1 1 . 1 1 79 79 SER N N 79 112.109 112.109 114.594 -2.485 26059 407 1 1 . 1 1 79 79 SER HA H 79 5.560 5.560 5.544 0.016 26059 408 1 1 . 1 1 79 79 SER C C 79 172.490 172.490 173.574 -1.084 26059 409 1 1 . 1 1 79 79 SER CA C 79 57.754 57.754 56.029 1.726 26059 410 1 1 . 1 1 79 79 SER CB C 79 65.861 65.861 65.543 0.318 26059 411 1 1 . 1 1 79 79 SER H H 79 7.714 7.714 8.407 -0.693 26059 412 1 1 . 1 1 80 80 GLY N N 80 106.048 106.048 110.865 -4.817 26059 413 1 1 . 1 1 80 80 GLY C C 80 172.630 172.630 171.991 0.639 26059 414 1 1 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.389 0.311 26059 415 1 1 . 1 1 80 80 GLY H H 80 8.828 8.828 8.724 0.104 26059 416 1 1 . 1 1 81 81 TYR N N 81 115.280 115.280 116.029 -0.749 26059 417 1 1 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.303 0.377 26059 418 1 1 . 1 1 81 81 TYR C C 81 174.100 174.100 174.111 -0.011 26059 419 1 1 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.229 -1.729 26059 420 1 1 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.611 0.389 26059 421 1 1 . 1 1 81 81 TYR H H 81 8.770 8.770 7.916 0.854 26059 422 1 1 . 1 1 82 82 ALA N N 82 122.350 122.350 122.821 -0.471 26059 423 1 1 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.521 -0.081 26059 424 1 1 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.319 -0.279 26059 425 1 1 . 1 1 82 82 ALA CB C 82 22.400 22.400 21.105 1.295 26059 426 1 1 . 1 1 82 82 ALA H H 82 7.160 7.160 7.041 0.119 26059 427 1 1 . 1 1 83 83 GLY N N 83 107.100 107.100 108.074 -0.974 26059 428 1 1 . 1 1 83 83 GLY C C 83 172.500 172.500 173.553 -1.053 26059 429 1 1 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.489 0.121 26059 430 1 1 . 1 1 83 83 GLY H H 83 8.220 8.220 8.281 -0.061 26059 431 1 1 . 1 1 84 84 PHE N N 84 111.660 111.660 116.262 -4.602 26059 432 1 1 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.664 0.026 26059 433 1 1 . 1 1 84 84 PHE C C 84 172.460 172.460 173.095 -0.635 26059 434 1 1 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.806 0.694 26059 435 1 1 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.947 -1.367 26059 436 1 1 . 1 1 84 84 PHE H H 84 7.700 7.700 8.138 -0.438 26059 437 1 1 . 1 1 85 85 ILE N N 85 117.810 117.810 121.283 -3.473 26059 438 1 1 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.044 0.266 26059 439 1 1 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.745 -1.405 26059 440 1 1 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.450 -1.190 26059 441 1 1 . 1 1 85 85 ILE H H 85 8.340 8.340 8.349 -0.009 26059 442 1 1 . 1 1 86 86 LEU N N 86 108.130 108.130 129.814 -21.684 26059 443 1 1 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.922 0.058 26059 444 1 1 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.939 2.261 26059 445 1 1 . 1 1 86 86 LEU CB C 86 45.300 45.300 44.694 0.606 26059 446 1 1 . 1 1 86 86 LEU H H 86 9.900 9.900 8.638 1.262 26059 447 1 1 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.687 0.413 26059 448 1 1 . 1 1 87 87 PRO C C 87 175.340 175.340 175.923 -0.583 26059 449 1 1 . 1 1 87 87 PRO CA C 87 63.110 63.110 62.981 0.129 26059 450 1 1 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.610 -0.050 26059 451 1 1 . 1 1 88 88 ILE N N 88 126.000 126.000 126.358 -0.358 26059 452 1 1 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.508 0.282 26059 453 1 1 . 1 1 88 88 ILE C C 88 176.100 176.100 174.865 1.235 26059 454 1 1 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.278 0.282 26059 455 1 1 . 1 1 88 88 ILE CB C 88 42.000 42.000 40.260 1.740 26059 456 1 1 . 1 1 88 88 ILE H H 88 9.380 9.380 9.018 0.362 26059 457 1 1 . 1 1 89 89 GLU N N 89 123.900 123.900 127.526 -3.626 26059 458 1 1 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.004 0.196 26059 459 1 1 . 1 1 89 89 GLU C C 89 173.800 173.800 175.235 -1.435 26059 460 1 1 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.370 -0.400 26059 461 1 1 . 1 1 89 89 GLU CB C 89 34.380 34.380 32.154 2.226 26059 462 1 1 . 1 1 89 89 GLU H H 89 9.320 9.320 8.358 0.962 26059 463 1 1 . 1 1 90 90 VAL N N 90 123.980 123.980 124.517 -0.537 26059 464 1 1 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.876 0.284 26059 465 1 1 . 1 1 90 90 VAL C C 90 174.800 174.800 174.387 0.413 26059 466 1 1 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.874 -0.484 26059 467 1 1 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.860 -0.370 26059 468 1 1 . 1 1 90 90 VAL H H 90 8.630 8.630 7.782 0.848 26059 469 1 1 . 1 1 91 91 TYR N N 91 124.230 124.230 125.954 -1.724 26059 470 1 1 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.875 -0.215 26059 471 1 1 . 1 1 91 91 TYR C C 91 176.800 176.800 175.758 1.042 26059 472 1 1 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.146 -0.446 26059 473 1 1 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.773 0.467 26059 474 1 1 . 1 1 91 91 TYR H H 91 8.640 8.640 9.015 -0.375 26059 475 1 1 . 1 1 92 92 PHE N N 92 121.200 121.200 121.592 -0.392 26059 476 1 1 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.451 0.209 26059 477 1 1 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.242 1.268 26059 478 1 1 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.520 -0.520 26059 479 1 1 . 1 1 92 92 PHE H H 92 8.750 8.750 9.286 -0.536 26059 480 1 1 . 1 1 93 93 LYS N N 93 123.450 123.450 123.412 0.038 26059 481 1 1 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.621 -0.021 26059 482 1 1 . 1 1 93 93 LYS C C 93 174.200 174.200 174.691 -0.491 26059 483 1 1 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.453 -0.273 26059 484 1 1 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.230 0.450 26059 485 1 1 . 1 1 93 93 LYS H H 93 8.560 8.560 8.730 -0.170 26059 486 1 1 . 1 1 94 94 ASN N N 94 118.800 118.800 122.841 -4.041 26059 487 1 1 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.801 -0.361 26059 488 1 1 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.516 -1.306 26059 489 1 1 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.104 -1.304 26059 490 1 1 . 1 1 94 94 ASN H H 94 7.820 7.820 8.055 -0.235 26059 491 1 1 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.613 -0.283 26059 492 1 1 . 1 1 95 95 LYS C C 95 175.800 175.800 176.003 -0.203 26059 493 1 1 . 1 1 95 95 LYS CA C 95 56.210 56.210 55.627 0.583 26059 494 1 1 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.087 0.923 26059 495 1 1 . 1 1 96 96 GLU N N 96 118.330 118.330 121.044 -2.714 26059 496 1 1 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.294 0.216 26059 497 1 1 . 1 1 96 96 GLU C C 96 173.200 173.200 175.488 -2.288 26059 498 1 1 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.835 -0.735 26059 499 1 1 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.987 0.483 26059 500 1 1 . 1 1 96 96 GLU H H 96 7.120 7.120 8.521 -1.401 26059 501 1 1 . 1 1 97 97 GLU N N 97 115.630 115.630 119.699 -4.069 26059 502 1 1 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.066 0.364 26059 503 1 1 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.528 -1.668 26059 504 1 1 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.703 0.567 26059 505 1 1 . 1 1 97 97 GLU H H 97 8.060 8.060 8.611 -0.551 26059 506 1 1 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.258 0.742 26059 507 1 1 . 1 1 98 98 PRO C C 98 175.900 175.900 176.837 -0.937 26059 508 1 1 . 1 1 98 98 PRO CA C 98 62.160 62.160 63.966 -1.806 26059 509 1 1 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.786 2.214 26059 510 1 1 . 1 1 99 99 ARG N N 99 122.800 122.800 121.408 1.392 26059 511 1 1 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.552 0.078 26059 512 1 1 . 1 1 99 99 ARG C C 99 175.800 175.800 175.451 0.349 26059 513 1 1 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.612 0.588 26059 514 1 1 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.321 0.089 26059 515 1 1 . 1 1 99 99 ARG H H 99 8.602 8.602 8.704 -0.102 26059 516 1 1 . 1 1 100 100 LYS N N 100 113.220 113.220 117.600 -4.380 26059 517 1 1 . 1 1 100 100 LYS HA H 100 4.940 4.940 5.021 -0.081 26059 518 1 1 . 1 1 100 100 LYS C C 100 174.100 174.100 175.113 -1.013 26059 519 1 1 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.657 -0.266 26059 520 1 1 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.496 -0.776 26059 521 1 1 . 1 1 100 100 LYS H H 100 7.650 7.650 7.332 0.318 26059 522 1 1 . 1 1 101 101 VAL N N 101 116.230 116.230 118.941 -2.711 26059 523 1 1 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.328 -0.058 26059 524 1 1 . 1 1 101 101 VAL C C 101 171.600 171.600 173.522 -1.922 26059 525 1 1 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.192 1.068 26059 526 1 1 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.124 0.056 26059 527 1 1 . 1 1 101 101 VAL H H 101 8.120 8.120 8.358 -0.238 26059 528 1 1 . 1 1 102 102 ARG N N 102 124.980 124.980 124.087 0.893 26059 529 1 1 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.675 0.485 26059 530 1 1 . 1 1 102 102 ARG C C 102 174.340 174.340 174.691 -0.351 26059 531 1 1 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.782 -1.032 26059 532 1 1 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.206 2.144 26059 533 1 1 . 1 1 102 102 ARG H H 102 7.930 7.930 8.027 -0.097 26059 534 1 1 . 1 1 103 103 PHE N N 103 124.590 124.590 126.344 -1.754 26059 535 1 1 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.721 0.071 26059 536 1 1 . 1 1 103 103 PHE C C 103 174.280 174.280 174.719 -0.439 26059 537 1 1 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.545 0.935 26059 538 1 1 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.621 1.629 26059 539 1 1 . 1 1 103 103 PHE H H 103 9.390 9.390 9.139 0.251 26059 540 1 1 . 1 1 104 104 ASP N N 104 124.700 124.700 124.393 0.307 26059 541 1 1 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.604 0.195 26059 542 1 1 . 1 1 104 104 ASP C C 104 174.500 174.500 174.297 0.203 26059 543 1 1 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.844 0.546 26059 544 1 1 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.790 -0.560 26059 545 1 1 . 1 1 104 104 ASP H H 104 9.010 9.010 8.972 0.038 26059 546 1 1 . 1 1 105 105 TYR N N 105 129.840 129.840 123.446 6.394 26059 547 1 1 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.745 -0.675 26059 548 1 1 . 1 1 105 105 TYR C C 105 173.100 173.100 173.070 0.030 26059 549 1 1 . 1 1 105 105 TYR CA C 105 58.680 58.680 57.066 1.614 26059 550 1 1 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.481 -0.631 26059 551 1 1 . 1 1 105 105 TYR H H 105 8.140 8.140 7.985 0.155 26059 552 1 1 . 1 1 106 106 ASP N N 106 126.800 126.800 127.271 -0.471 26059 553 1 1 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.435 -0.215 26059 554 1 1 . 1 1 106 106 ASP C C 106 172.900 172.900 174.741 -1.841 26059 555 1 1 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.535 -0.025 26059 556 1 1 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.498 -1.998 26059 557 1 1 . 1 1 106 106 ASP H H 106 7.730 7.730 8.344 -0.614 26059 558 1 1 . 1 1 107 107 LEU N N 107 132.150 132.150 128.664 3.486 26059 559 1 1 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.592 -0.752 26059 560 1 1 . 1 1 107 107 LEU C C 107 172.100 172.100 174.951 -2.851 26059 561 1 1 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.777 -0.577 26059 562 1 1 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.613 -1.373 26059 563 1 1 . 1 1 107 107 LEU H H 107 7.770 7.770 7.917 -0.147 26059 564 1 1 . 1 1 108 108 PHE N N 108 118.960 118.960 121.916 -2.956 26059 565 1 1 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.912 -0.222 26059 566 1 1 . 1 1 108 108 PHE C C 108 174.300 174.300 173.719 0.581 26059 567 1 1 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.308 -0.618 26059 568 1 1 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.744 -0.454 26059 569 1 1 . 1 1 108 108 PHE H H 108 6.060 6.060 7.650 -1.590 26059 570 1 1 . 1 1 109 109 LEU N N 109 118.900 118.900 120.654 -1.754 26059 571 1 1 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.581 -0.181 26059 572 1 1 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.143 -0.983 26059 573 1 1 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.591 -2.511 26059 574 1 1 . 1 1 109 109 LEU H H 109 8.388 8.388 8.205 0.183 26059 575 1 1 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.546 -0.106 26059 576 1 1 . 1 1 111 111 LEU C C 111 177.300 177.300 177.408 -0.108 26059 577 1 1 . 1 1 111 111 LEU CA C 111 54.220 54.220 54.770 -0.550 26059 578 1 1 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.915 0.955 26059 579 1 1 . 1 1 112 112 GLU N N 112 120.660 120.660 122.194 -1.534 26059 580 1 1 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.082 0.088 26059 581 1 1 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.133 0.327 26059 582 1 1 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.162 0.028 26059 583 1 1 . 1 1 112 112 GLU H H 112 8.780 8.780 8.777 0.003 26059 584 1 1 . 1 1 113 113 GLY C C 113 173.900 173.900 173.828 0.072 26059 585 1 1 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.928 0.022 26059 586 1 1 . 1 1 114 114 HIS N N 114 120.890 120.890 118.479 2.411 26059 587 1 1 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.819 0.087 26059 588 1 1 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.795 0.975 26059 589 1 1 . 1 1 114 114 HIS CB C 114 30.590 30.590 32.600 -2.010 26059 590 1 1 . 1 1 114 114 HIS H H 114 7.934 7.934 7.994 -0.060 26059 591 1 1 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.176 0.624 26059 592 1 1 . 1 1 115 115 PRO CA C 115 62.090 62.090 62.879 -0.789 26059 593 1 1 . 1 1 115 115 PRO CB C 115 30.680 30.680 31.398 -0.718 26059 594 1 1 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.356 -0.146 26059 595 1 1 . 1 1 116 116 PRO C C 116 176.600 176.600 176.229 0.371 26059 596 1 1 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.817 -0.517 26059 597 1 1 . 1 1 117 117 VAL N N 117 127.480 127.480 119.939 7.541 26059 598 1 1 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.234 -0.444 26059 599 1 1 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.124 1.576 26059 600 1 1 . 1 1 117 117 VAL CB C 117 33.200 33.200 33.383 -0.183 26059 601 1 1 . 1 1 117 117 VAL H H 117 8.890 8.890 8.020 0.870 26059 602 1 1 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.082 -0.092 26059 603 1 1 . 1 1 118 118 ASN C C 118 172.700 172.700 173.725 -1.025 26059 604 1 1 . 1 1 118 118 ASN CA C 118 53.360 53.360 53.146 0.214 26059 605 1 1 . 1 1 118 118 ASN CB C 118 39.200 39.200 39.820 -0.620 26059 606 1 1 . 1 1 119 119 HIS N N 119 124.930 124.930 125.663 -0.733 26059 607 1 1 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.080 -0.260 26059 608 1 1 . 1 1 119 119 HIS C C 119 173.500 173.500 173.425 0.075 26059 609 1 1 . 1 1 119 119 HIS CA C 119 56.970 56.970 54.998 1.972 26059 610 1 1 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.064 1.206 26059 611 1 1 . 1 1 119 119 HIS H H 119 8.790 8.790 8.370 0.420 26059 612 1 1 . 1 1 120 120 LEU N N 120 128.280 128.280 125.670 2.610 26059 613 1 1 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.587 0.363 26059 614 1 1 . 1 1 120 120 LEU C C 120 174.030 174.030 175.663 -1.633 26059 615 1 1 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.635 0.366 26059 616 1 1 . 1 1 120 120 LEU CB C 120 46.600 46.600 44.853 1.747 26059 617 1 1 . 1 1 120 120 LEU H H 120 7.460 7.460 8.608 -1.148 26059 618 1 1 . 1 1 121 121 ARG N N 121 128.060 128.060 122.088 5.972 26059 619 1 1 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.516 0.124 26059 620 1 1 . 1 1 121 121 ARG C C 121 173.400 173.400 173.478 -0.078 26059 621 1 1 . 1 1 121 121 ARG CA C 121 54.360 54.360 55.094 -0.734 26059 622 1 1 . 1 1 121 121 ARG CB C 121 34.260 34.260 33.773 0.487 26059 623 1 1 . 1 1 121 121 ARG H H 121 9.860 9.860 8.572 1.288 26059 624 1 1 . 1 1 122 122 CYS N N 122 125.290 125.290 124.391 0.899 26059 625 1 1 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.323 -0.303 26059 626 1 1 . 1 1 122 122 CYS C C 122 174.600 174.600 173.960 0.640 26059 627 1 1 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.172 1.118 26059 628 1 1 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.594 -1.564 26059 629 1 1 . 1 1 122 122 CYS H H 122 8.835 8.835 8.668 0.167 26059 630 1 1 . 1 1 123 123 GLU N N 123 125.920 125.920 124.946 0.974 26059 631 1 1 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.483 0.197 26059 632 1 1 . 1 1 123 123 GLU C C 123 174.500 174.500 174.878 -0.378 26059 633 1 1 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.583 -0.163 26059 634 1 1 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.281 0.302 26059 635 1 1 . 1 1 123 123 GLU H H 123 8.970 8.970 9.110 -0.140 26059 636 1 1 . 1 1 124 124 LYS N N 124 121.837 121.837 125.682 -3.845 26059 637 1 1 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.794 0.166 26059 638 1 1 . 1 1 124 124 LYS C C 124 175.700 175.700 176.074 -0.374 26059 639 1 1 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.495 -0.138 26059 640 1 1 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.587 0.602 26059 641 1 1 . 1 1 124 124 LYS H H 124 8.652 8.652 8.544 0.108 26059 642 1 1 . 1 1 125 125 LEU N N 125 127.000 127.000 129.012 -2.012 26059 643 1 1 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.546 0.104 26059 644 1 1 . 1 1 125 125 LEU C C 125 175.110 175.110 175.244 -0.134 26059 645 1 1 . 1 1 125 125 LEU CA C 125 53.854 53.854 53.938 -0.084 26059 646 1 1 . 1 1 125 125 LEU CB C 125 44.267 44.267 43.517 0.750 26059 647 1 1 . 1 1 125 125 LEU H H 125 9.175 9.175 9.020 0.155 26059 648 1 1 . 1 1 126 126 THR N N 126 117.779 117.779 119.619 -1.840 26059 649 1 1 . 1 1 126 126 THR HA H 126 4.650 4.650 4.675 -0.025 26059 650 1 1 . 1 1 126 126 THR C C 126 173.200 173.200 173.435 -0.235 26059 651 1 1 . 1 1 126 126 THR CA C 126 62.036 62.036 61.585 0.451 26059 652 1 1 . 1 1 126 126 THR CB C 126 70.284 70.284 70.124 0.160 26059 653 1 1 . 1 1 126 126 THR H H 126 8.331 8.331 8.299 0.032 26059 654 1 1 . 1 1 127 127 PHE N N 127 126.576 126.576 126.753 -0.177 26059 655 1 1 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.768 -0.178 26059 656 1 1 . 1 1 127 127 PHE C C 127 174.860 174.860 174.192 0.668 26059 657 1 1 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.724 1.140 26059 658 1 1 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.520 -1.520 26059 659 1 1 . 1 1 127 127 PHE H H 127 9.051 9.051 9.049 0.002 26059 660 1 1 . 1 1 128 128 ASN N N 128 123.040 123.040 121.818 1.222 26059 661 1 1 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.779 -0.159 26059 662 1 1 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.242 1.238 26059 663 1 1 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.983 0.477 26059 664 1 1 . 1 1 128 128 ASN H H 128 8.880 8.880 8.861 0.019 26059 665 1 1 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.546 0.214 26059 666 1 1 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.739 -0.839 26059 667 1 1 . 1 1 129 129 ASN CB C 129 38.730 38.730 36.937 1.793 26059 668 1 1 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.608 0.182 26059 669 1 1 . 1 1 130 130 PRO C C 130 177.470 177.470 176.748 0.722 26059 670 1 1 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.542 0.032 26059 671 1 1 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.501 -0.191 26059 672 1 1 . 1 1 131 131 THR N N 131 113.400 113.400 110.660 2.740 26059 673 1 1 . 1 1 131 131 THR HA H 131 4.300 4.300 4.298 0.002 26059 674 1 1 . 1 1 131 131 THR C C 131 175.200 175.200 176.025 -0.825 26059 675 1 1 . 1 1 131 131 THR CA C 131 62.200 62.200 60.981 1.219 26059 676 1 1 . 1 1 131 131 THR CB C 131 70.600 70.600 69.951 0.649 26059 677 1 1 . 1 1 131 131 THR H H 131 8.950 8.950 8.266 0.684 26059 678 1 1 . 1 1 132 132 GLU N N 132 122.199 122.199 124.514 -2.315 26059 679 1 1 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.913 0.097 26059 680 1 1 . 1 1 132 132 GLU C C 132 178.700 178.700 177.839 0.861 26059 681 1 1 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.718 -0.424 26059 682 1 1 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.461 -0.300 26059 683 1 1 . 1 1 132 132 GLU H H 132 8.932 8.932 9.056 -0.124 26059 684 1 1 . 1 1 133 133 ASP N N 133 116.324 116.324 117.598 -1.274 26059 685 1 1 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.406 -0.076 26059 686 1 1 . 1 1 133 133 ASP C C 133 177.800 177.800 178.448 -0.648 26059 687 1 1 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.931 0.429 26059 688 1 1 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.763 2.060 26059 689 1 1 . 1 1 133 133 ASP H H 133 8.490 8.490 8.749 -0.259 26059 690 1 1 . 1 1 134 134 PHE N N 134 119.914 119.914 122.138 -2.224 26059 691 1 1 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.248 0.362 26059 692 1 1 . 1 1 134 134 PHE C C 134 177.300 177.300 177.076 0.224 26059 693 1 1 . 1 1 134 134 PHE CA C 134 59.538 59.538 59.982 -0.444 26059 694 1 1 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.375 -0.175 26059 695 1 1 . 1 1 134 134 PHE H H 134 7.787 7.787 7.722 0.065 26059 696 1 1 . 1 1 135 135 ARG N N 135 119.794 119.794 120.668 -0.874 26059 697 1 1 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.765 -0.415 26059 698 1 1 . 1 1 135 135 ARG C C 135 177.370 177.370 178.124 -0.754 26059 699 1 1 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.027 0.349 26059 700 1 1 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.063 0.333 26059 701 1 1 . 1 1 135 135 ARG H H 135 9.087 9.087 8.324 0.763 26059 702 1 1 . 1 1 136 136 ARG N N 136 114.554 114.554 118.661 -4.107 26059 703 1 1 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.964 -0.144 26059 704 1 1 . 1 1 136 136 ARG C C 136 178.950 178.950 178.646 0.304 26059 705 1 1 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.752 -0.452 26059 706 1 1 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.063 0.154 26059 707 1 1 . 1 1 136 136 ARG H H 136 7.747 7.747 8.482 -0.735 26059 708 1 1 . 1 1 137 137 LYS N N 137 118.298 118.298 119.137 -0.839 26059 709 1 1 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.066 -0.166 26059 710 1 1 . 1 1 137 137 LYS C C 137 177.980 177.980 178.744 -0.764 26059 711 1 1 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.441 0.954 26059 712 1 1 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.368 0.079 26059 713 1 1 . 1 1 137 137 LYS H H 137 7.154 7.154 7.441 -0.287 26059 714 1 1 . 1 1 138 138 LEU N N 138 117.159 117.159 119.025 -1.866 26059 715 1 1 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.804 -0.384 26059 716 1 1 . 1 1 138 138 LEU C C 138 179.100 179.100 178.465 0.635 26059 717 1 1 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.156 0.076 26059 718 1 1 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.542 0.786 26059 719 1 1 . 1 1 138 138 LEU H H 138 7.709 7.709 7.750 -0.041 26059 720 1 1 . 1 1 139 139 LEU N N 139 115.158 115.158 116.932 -1.774 26059 721 1 1 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.153 -0.003 26059 722 1 1 . 1 1 139 139 LEU C C 139 177.600 177.600 178.488 -0.888 26059 723 1 1 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.566 -1.037 26059 724 1 1 . 1 1 139 139 LEU CB C 139 41.744 41.744 42.011 -0.267 26059 725 1 1 . 1 1 139 139 LEU H H 139 7.507 7.507 8.242 -0.735 26059 726 1 1 . 1 1 140 140 LYS N N 140 120.256 120.256 119.696 0.560 26059 727 1 1 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.026 0.084 26059 728 1 1 . 1 1 140 140 LYS C C 140 175.800 175.800 177.272 -1.472 26059 729 1 1 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.464 -0.412 26059 730 1 1 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.668 -0.022 26059 731 1 1 . 1 1 140 140 LYS H H 140 7.304 7.304 7.568 -0.264 26059 732 1 2 . 1 1 4 4 MET C C 4 175.800 175.800 176.732 -0.932 26059 733 1 2 . 1 1 4 4 MET CA C 4 55.350 55.350 56.555 -1.205 26059 734 1 2 . 1 1 4 4 MET CB C 4 32.880 32.880 32.519 0.361 26059 735 1 2 . 1 1 5 5 ALA N N 5 125.230 125.230 121.329 3.901 26059 736 1 2 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.258 0.092 26059 737 1 2 . 1 1 5 5 ALA CA C 5 52.430 52.430 54.189 -1.759 26059 738 1 2 . 1 1 5 5 ALA CB C 5 19.370 19.370 19.026 0.344 26059 739 1 2 . 1 1 5 5 ALA H H 5 8.320 8.320 8.005 0.315 26059 740 1 2 . 1 1 6 6 SER HA H 6 4.490 4.490 4.487 0.003 26059 741 1 2 . 1 1 6 6 SER CA C 6 58.200 58.200 57.597 0.603 26059 742 1 2 . 1 1 6 6 SER CB C 6 63.700 63.700 61.957 1.743 26059 743 1 2 . 1 1 7 7 SER HA H 7 4.530 4.530 5.125 -0.595 26059 744 1 2 . 1 1 7 7 SER CA C 7 58.200 58.200 57.889 0.311 26059 745 1 2 . 1 1 7 7 SER CB C 7 63.700 63.700 64.257 -0.557 26059 746 1 2 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.662 -0.052 26059 747 1 2 . 1 1 8 8 CYS C C 8 173.500 173.500 172.745 0.755 26059 748 1 2 . 1 1 8 8 CYS CA C 8 58.340 58.340 58.858 -0.518 26059 749 1 2 . 1 1 8 8 CYS CB C 8 28.490 28.490 30.266 -1.776 26059 750 1 2 . 1 1 9 9 ALA N N 9 124.700 124.700 131.669 -6.969 26059 751 1 2 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.302 -0.512 26059 752 1 2 . 1 1 9 9 ALA C C 9 177.400 177.400 176.194 1.206 26059 753 1 2 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.717 1.353 26059 754 1 2 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.829 -0.200 26059 755 1 2 . 1 1 9 9 ALA H H 9 7.960 7.960 8.260 -0.300 26059 756 1 2 . 1 1 10 10 VAL N N 10 120.124 120.124 123.545 -3.421 26059 757 1 2 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.322 -0.032 26059 758 1 2 . 1 1 10 10 VAL C C 10 173.900 173.900 174.909 -1.009 26059 759 1 2 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.211 0.339 26059 760 1 2 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.320 1.580 26059 761 1 2 . 1 1 10 10 VAL H H 10 8.424 8.424 8.438 -0.014 26059 762 1 2 . 1 1 11 11 GLN N N 11 125.818 125.818 124.652 1.166 26059 763 1 2 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.299 0.261 26059 764 1 2 . 1 1 11 11 GLN C C 11 175.400 175.400 175.461 -0.061 26059 765 1 2 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.374 -0.251 26059 766 1 2 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.624 1.405 26059 767 1 2 . 1 1 11 11 GLN H H 11 8.636 8.636 8.409 0.227 26059 768 1 2 . 1 1 12 12 VAL N N 12 119.106 119.106 118.154 0.952 26059 769 1 2 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.345 0.285 26059 770 1 2 . 1 1 12 12 VAL C C 12 173.800 173.800 174.429 -0.629 26059 771 1 2 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.548 0.252 26059 772 1 2 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.565 2.146 26059 773 1 2 . 1 1 12 12 VAL H H 12 8.827 8.827 8.516 0.311 26059 774 1 2 . 1 1 13 13 LYS N N 13 121.700 121.700 121.767 -0.067 26059 775 1 2 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.165 0.035 26059 776 1 2 . 1 1 13 13 LYS C C 13 175.030 175.030 174.886 0.144 26059 777 1 2 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.670 -0.240 26059 778 1 2 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.043 0.877 26059 779 1 2 . 1 1 13 13 LYS H H 13 8.234 8.234 8.368 -0.134 26059 780 1 2 . 1 1 14 14 LEU N N 14 119.100 119.100 125.854 -6.754 26059 781 1 2 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.221 -0.271 26059 782 1 2 . 1 1 14 14 LEU C C 14 175.110 175.110 175.329 -0.219 26059 783 1 2 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.439 -0.082 26059 784 1 2 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.448 1.473 26059 785 1 2 . 1 1 14 14 LEU H H 14 8.840 8.840 9.115 -0.275 26059 786 1 2 . 1 1 15 15 GLU N N 15 120.978 120.978 123.119 -2.141 26059 787 1 2 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.314 -0.324 26059 788 1 2 . 1 1 15 15 GLU C C 15 173.800 173.800 174.889 -1.089 26059 789 1 2 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.353 1.075 26059 790 1 2 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.528 -0.702 26059 791 1 2 . 1 1 15 15 GLU H H 15 9.181 9.181 9.189 -0.008 26059 792 1 2 . 1 1 16 16 LEU N N 16 124.438 124.438 127.524 -3.086 26059 793 1 2 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.260 -0.150 26059 794 1 2 . 1 1 16 16 LEU C C 16 174.700 174.700 176.028 -1.328 26059 795 1 2 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.794 0.282 26059 796 1 2 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.146 3.746 26059 797 1 2 . 1 1 16 16 LEU H H 16 8.891 8.891 8.316 0.575 26059 798 1 2 . 1 1 17 17 GLY N N 17 108.067 108.067 110.740 -2.673 26059 799 1 2 . 1 1 17 17 GLY C C 17 170.350 170.350 171.606 -1.256 26059 800 1 2 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.564 2.420 26059 801 1 2 . 1 1 17 17 GLY H H 17 7.227 7.227 8.884 -1.657 26059 802 1 2 . 1 1 18 18 HIS N N 18 111.200 111.200 116.903 -5.703 26059 803 1 2 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.121 0.499 26059 804 1 2 . 1 1 18 18 HIS C C 18 172.400 172.400 172.682 -0.282 26059 805 1 2 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.848 0.092 26059 806 1 2 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.598 1.562 26059 807 1 2 . 1 1 18 18 HIS H H 18 8.150 8.150 8.595 -0.445 26059 808 1 2 . 1 1 19 19 ARG N N 19 117.800 117.800 121.819 -4.019 26059 809 1 2 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.294 -0.194 26059 810 1 2 . 1 1 19 19 ARG C C 19 175.800 175.800 174.441 1.359 26059 811 1 2 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.080 -0.580 26059 812 1 2 . 1 1 19 19 ARG CB C 19 34.650 34.650 33.736 0.914 26059 813 1 2 . 1 1 19 19 ARG H H 19 9.010 9.010 8.800 0.210 26059 814 1 2 . 1 1 20 20 ALA N N 20 120.390 120.390 126.092 -5.702 26059 815 1 2 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.381 0.159 26059 816 1 2 . 1 1 20 20 ALA C C 20 175.800 175.800 175.010 0.790 26059 817 1 2 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.501 1.089 26059 818 1 2 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.991 0.759 26059 819 1 2 . 1 1 20 20 ALA H H 20 8.070 8.070 8.912 -0.842 26059 820 1 2 . 1 1 21 21 GLN N N 21 121.790 121.790 123.044 -1.254 26059 821 1 2 . 1 1 21 21 GLN HA H 21 5.230 5.230 4.936 0.294 26059 822 1 2 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.886 0.444 26059 823 1 2 . 1 1 21 21 GLN CB C 21 32.900 32.900 33.666 -0.766 26059 824 1 2 . 1 1 21 21 GLN H H 21 9.240 9.240 8.692 0.548 26059 825 1 2 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.270 -0.640 26059 826 1 2 . 1 1 22 22 VAL C C 22 176.500 176.500 175.029 1.471 26059 827 1 2 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.301 2.729 26059 828 1 2 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.160 -2.560 26059 829 1 2 . 1 1 23 23 ARG N N 23 127.840 127.840 126.370 1.470 26059 830 1 2 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.571 -0.441 26059 831 1 2 . 1 1 23 23 ARG CA C 23 56.200 56.200 55.139 1.062 26059 832 1 2 . 1 1 23 23 ARG CB C 23 32.150 32.150 30.970 1.180 26059 833 1 2 . 1 1 23 23 ARG H H 23 8.720 8.720 8.875 -0.155 26059 834 1 2 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.186 -0.146 26059 835 1 2 . 1 1 24 24 LYS C C 24 176.960 176.960 176.442 0.518 26059 836 1 2 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.230 1.570 26059 837 1 2 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.872 -0.812 26059 838 1 2 . 1 1 25 25 LYS N N 25 115.870 115.870 119.585 -3.715 26059 839 1 2 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.736 0.094 26059 840 1 2 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.398 -0.438 26059 841 1 2 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.433 1.647 26059 842 1 2 . 1 1 25 25 LYS H H 25 7.720 7.720 7.649 0.071 26059 843 1 2 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.558 0.272 26059 844 1 2 . 1 1 26 26 PRO C C 26 177.400 177.400 176.918 0.482 26059 845 1 2 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.089 -0.439 26059 846 1 2 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.232 0.158 26059 847 1 2 . 1 1 27 27 THR N N 27 111.270 111.270 114.695 -3.425 26059 848 1 2 . 1 1 27 27 THR HA H 27 4.530 4.530 4.264 0.266 26059 849 1 2 . 1 1 27 27 THR C C 27 177.300 177.300 177.013 0.287 26059 850 1 2 . 1 1 27 27 THR CA C 27 61.300 61.300 61.309 -0.009 26059 851 1 2 . 1 1 27 27 THR CB C 27 71.460 71.460 69.930 1.530 26059 852 1 2 . 1 1 27 27 THR H H 27 8.380 8.380 8.181 0.199 26059 853 1 2 . 1 1 28 28 VAL N N 28 121.170 121.170 118.740 2.430 26059 854 1 2 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.955 -0.072 26059 855 1 2 . 1 1 28 28 VAL C C 28 177.030 177.030 176.046 0.984 26059 856 1 2 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.647 0.553 26059 857 1 2 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.557 -0.157 26059 858 1 2 . 1 1 28 28 VAL H H 28 8.910 8.910 8.448 0.462 26059 859 1 2 . 1 1 29 29 GLU N N 29 116.800 116.800 118.337 -1.537 26059 860 1 2 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.105 -0.185 26059 861 1 2 . 1 1 29 29 GLU C C 29 176.200 176.200 176.783 -0.583 26059 862 1 2 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.362 1.888 26059 863 1 2 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.350 -0.180 26059 864 1 2 . 1 1 29 29 GLU H H 29 7.990 7.990 7.936 0.054 26059 865 1 2 . 1 1 30 30 GLY N N 30 105.500 105.500 108.291 -2.791 26059 866 1 2 . 1 1 30 30 GLY C C 30 174.900 174.900 174.192 0.708 26059 867 1 2 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.563 -1.103 26059 868 1 2 . 1 1 30 30 GLY H H 30 7.950 7.950 7.773 0.177 26059 869 1 2 . 1 1 31 31 PHE N N 31 119.300 119.300 118.890 0.410 26059 870 1 2 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.881 -0.121 26059 871 1 2 . 1 1 31 31 PHE C C 31 176.400 176.400 176.176 0.224 26059 872 1 2 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.590 1.310 26059 873 1 2 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.480 -3.980 26059 874 1 2 . 1 1 31 31 PHE H H 31 7.520 7.520 7.514 0.006 26059 875 1 2 . 1 1 32 32 THR N N 32 112.300 112.300 116.660 -4.360 26059 876 1 2 . 1 1 32 32 THR HA H 32 4.330 4.330 4.342 -0.012 26059 877 1 2 . 1 1 32 32 THR C C 32 175.200 175.200 174.431 0.769 26059 878 1 2 . 1 1 32 32 THR CA C 32 62.780 62.780 63.363 -0.583 26059 879 1 2 . 1 1 32 32 THR CB C 32 70.350 70.350 69.678 0.672 26059 880 1 2 . 1 1 32 32 THR H H 32 7.770 7.770 8.827 -1.057 26059 881 1 2 . 1 1 33 33 HIS N N 33 121.900 121.900 120.813 1.087 26059 882 1 2 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.399 0.101 26059 883 1 2 . 1 1 33 33 HIS C C 33 173.880 173.880 173.630 0.250 26059 884 1 2 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.964 0.816 26059 885 1 2 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.102 2.538 26059 886 1 2 . 1 1 33 33 HIS H H 33 9.110 9.110 8.797 0.313 26059 887 1 2 . 1 1 34 34 ASP N N 34 120.300 120.300 122.766 -2.466 26059 888 1 2 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.489 -0.089 26059 889 1 2 . 1 1 34 34 ASP C C 34 175.100 175.100 175.307 -0.207 26059 890 1 2 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.409 -0.099 26059 891 1 2 . 1 1 34 34 ASP CB C 34 43.000 43.000 42.706 0.294 26059 892 1 2 . 1 1 34 34 ASP H H 34 8.810 8.810 8.835 -0.025 26059 893 1 2 . 1 1 35 35 TRP N N 35 119.800 119.800 121.647 -1.847 26059 894 1 2 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.802 -0.072 26059 895 1 2 . 1 1 35 35 TRP C C 35 174.900 174.900 173.707 1.193 26059 896 1 2 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.379 0.521 26059 897 1 2 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.985 1.685 26059 898 1 2 . 1 1 35 35 TRP H H 35 9.250 9.250 8.770 0.480 26059 899 1 2 . 1 1 36 36 MET N N 36 120.980 120.980 124.001 -3.021 26059 900 1 2 . 1 1 36 36 MET HA H 36 5.750 5.750 5.883 -0.133 26059 901 1 2 . 1 1 36 36 MET C C 36 173.700 173.700 174.685 -0.985 26059 902 1 2 . 1 1 36 36 MET CA C 36 54.830 54.830 53.708 1.122 26059 903 1 2 . 1 1 36 36 MET CB C 36 35.220 35.220 36.094 -0.874 26059 904 1 2 . 1 1 36 36 MET H H 36 9.080 9.080 9.180 -0.100 26059 905 1 2 . 1 1 37 37 VAL N N 37 126.220 126.220 121.979 4.241 26059 906 1 2 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.141 0.169 26059 907 1 2 . 1 1 37 37 VAL C C 37 172.300 172.300 174.495 -2.195 26059 908 1 2 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.600 -1.060 26059 909 1 2 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.386 1.685 26059 910 1 2 . 1 1 37 37 VAL H H 37 9.080 9.080 8.986 0.094 26059 911 1 2 . 1 1 38 38 PHE N N 38 120.640 120.640 118.642 1.998 26059 912 1 2 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.044 -0.074 26059 913 1 2 . 1 1 38 38 PHE C C 38 172.960 172.960 173.556 -0.596 26059 914 1 2 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.475 0.655 26059 915 1 2 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.524 0.476 26059 916 1 2 . 1 1 38 38 PHE H H 38 8.320 8.320 8.760 -0.440 26059 917 1 2 . 1 1 39 39 VAL N N 39 116.500 116.500 117.694 -1.194 26059 918 1 2 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.826 -0.816 26059 919 1 2 . 1 1 39 39 VAL C C 39 174.700 174.700 174.812 -0.112 26059 920 1 2 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.096 1.544 26059 921 1 2 . 1 1 39 39 VAL CB C 39 35.400 35.400 34.722 0.678 26059 922 1 2 . 1 1 39 39 VAL H H 39 8.580 8.580 9.102 -0.522 26059 923 1 2 . 1 1 40 40 ARG N N 40 124.100 124.100 124.615 -0.515 26059 924 1 2 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.139 -0.059 26059 925 1 2 . 1 1 40 40 ARG C C 40 173.800 173.800 175.377 -1.577 26059 926 1 2 . 1 1 40 40 ARG CA C 40 54.300 54.300 54.324 -0.024 26059 927 1 2 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.760 -1.180 26059 928 1 2 . 1 1 40 40 ARG H H 40 9.880 9.880 8.895 0.985 26059 929 1 2 . 1 1 41 41 GLY N N 41 107.640 107.640 107.718 -0.078 26059 930 1 2 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.977 0.994 26059 931 1 2 . 1 1 41 41 GLY H H 41 8.910 8.910 8.331 0.579 26059 932 1 2 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.474 0.016 26059 933 1 2 . 1 1 42 42 PRO C C 42 177.300 177.300 175.942 1.358 26059 934 1 2 . 1 1 42 42 PRO CA C 42 62.440 62.440 62.821 -0.381 26059 935 1 2 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.475 0.635 26059 936 1 2 . 1 1 43 43 GLU N N 43 121.050 121.050 124.562 -3.512 26059 937 1 2 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.994 -0.204 26059 938 1 2 . 1 1 43 43 GLU C C 43 176.110 176.110 175.928 0.182 26059 939 1 2 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.597 0.253 26059 940 1 2 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.223 0.627 26059 941 1 2 . 1 1 43 43 GLU H H 43 9.060 9.060 9.018 0.042 26059 942 1 2 . 1 1 44 44 HIS N N 44 114.100 114.100 113.672 0.428 26059 943 1 2 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.158 0.193 26059 944 1 2 . 1 1 44 44 HIS C C 44 175.170 175.170 174.238 0.932 26059 945 1 2 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.178 0.472 26059 946 1 2 . 1 1 44 44 HIS CB C 44 28.370 28.370 29.489 -1.119 26059 947 1 2 . 1 1 44 44 HIS H H 44 8.420 8.420 8.883 -0.463 26059 948 1 2 . 1 1 45 45 SER N N 45 115.540 115.540 117.592 -2.052 26059 949 1 2 . 1 1 45 45 SER HA H 45 4.560 4.560 4.316 0.244 26059 950 1 2 . 1 1 45 45 SER C C 45 173.700 173.700 173.647 0.053 26059 951 1 2 . 1 1 45 45 SER CA C 45 58.710 58.710 59.544 -0.834 26059 952 1 2 . 1 1 45 45 SER CB C 45 64.500 64.500 63.760 0.740 26059 953 1 2 . 1 1 45 45 SER H H 45 7.870 7.870 7.589 0.281 26059 954 1 2 . 1 1 46 46 ASN N N 46 123.900 123.900 124.671 -0.771 26059 955 1 2 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.630 0.490 26059 956 1 2 . 1 1 46 46 ASN C C 46 176.300 176.300 175.767 0.533 26059 957 1 2 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.830 -1.140 26059 958 1 2 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.027 -0.297 26059 959 1 2 . 1 1 46 46 ASN H H 46 9.480 9.480 8.625 0.855 26059 960 1 2 . 1 1 47 47 ILE N N 47 115.240 115.240 119.128 -3.888 26059 961 1 2 . 1 1 47 47 ILE HA H 47 3.940 3.940 3.974 -0.034 26059 962 1 2 . 1 1 47 47 ILE C C 47 176.000 176.000 176.741 -0.741 26059 963 1 2 . 1 1 47 47 ILE CA C 47 63.200 63.200 62.291 0.909 26059 964 1 2 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.462 -0.762 26059 965 1 2 . 1 1 47 47 ILE H H 47 8.170 8.170 8.464 -0.294 26059 966 1 2 . 1 1 48 48 GLN N N 48 123.200 123.200 120.357 2.843 26059 967 1 2 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.305 -0.025 26059 968 1 2 . 1 1 48 48 GLN C C 48 175.670 175.670 177.264 -1.594 26059 969 1 2 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.175 -0.275 26059 970 1 2 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.516 -0.526 26059 971 1 2 . 1 1 48 48 GLN H H 48 8.850 8.850 8.550 0.300 26059 972 1 2 . 1 1 49 49 HIS N N 49 115.400 115.400 118.407 -3.007 26059 973 1 2 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.408 0.162 26059 974 1 2 . 1 1 49 49 HIS C C 49 176.380 176.380 177.648 -1.268 26059 975 1 2 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.474 -0.724 26059 976 1 2 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.352 1.268 26059 977 1 2 . 1 1 49 49 HIS H H 49 7.400 7.400 7.741 -0.341 26059 978 1 2 . 1 1 50 50 PHE N N 50 109.800 109.800 115.976 -6.176 26059 979 1 2 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.847 0.383 26059 980 1 2 . 1 1 50 50 PHE C C 50 173.800 173.800 174.522 -0.722 26059 981 1 2 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.505 -0.845 26059 982 1 2 . 1 1 50 50 PHE CB C 50 41.000 41.000 39.770 1.230 26059 983 1 2 . 1 1 50 50 PHE H H 50 7.570 7.570 7.750 -0.180 26059 984 1 2 . 1 1 51 51 VAL N N 51 127.810 127.810 120.554 7.256 26059 985 1 2 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.681 -0.311 26059 986 1 2 . 1 1 51 51 VAL C C 51 174.500 174.500 175.257 -0.757 26059 987 1 2 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.679 0.321 26059 988 1 2 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.894 0.386 26059 989 1 2 . 1 1 51 51 VAL H H 51 7.810 7.810 7.934 -0.124 26059 990 1 2 . 1 1 52 52 GLU N N 52 130.700 130.700 127.917 2.783 26059 991 1 2 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.639 -0.659 26059 992 1 2 . 1 1 52 52 GLU C C 52 175.400 175.400 175.154 0.246 26059 993 1 2 . 1 1 52 52 GLU CA C 52 58.000 58.000 56.931 1.069 26059 994 1 2 . 1 1 52 52 GLU CB C 52 31.580 31.580 32.983 -1.403 26059 995 1 2 . 1 1 52 52 GLU H H 52 9.380 9.380 9.305 0.075 26059 996 1 2 . 1 1 53 53 LYS N N 53 109.200 109.200 118.190 -8.990 26059 997 1 2 . 1 1 53 53 LYS HA H 53 4.800 4.800 5.065 -0.265 26059 998 1 2 . 1 1 53 53 LYS C C 53 172.300 172.300 174.432 -2.132 26059 999 1 2 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.844 -0.004 26059 1000 1 2 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.999 -1.749 26059 1001 1 2 . 1 1 53 53 LYS H H 53 7.190 7.190 7.430 -0.240 26059 1002 1 2 . 1 1 54 54 VAL N N 54 120.380 120.380 122.350 -1.970 26059 1003 1 2 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.798 -0.028 26059 1004 1 2 . 1 1 54 54 VAL C C 54 173.600 173.600 173.840 -0.240 26059 1005 1 2 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.142 0.898 26059 1006 1 2 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.974 -1.274 26059 1007 1 2 . 1 1 54 54 VAL H H 54 8.450 8.450 8.340 0.110 26059 1008 1 2 . 1 1 55 55 VAL N N 55 126.920 126.920 121.536 5.384 26059 1009 1 2 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.328 -0.628 26059 1010 1 2 . 1 1 55 55 VAL C C 55 173.800 173.800 173.495 0.305 26059 1011 1 2 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.544 1.326 26059 1012 1 2 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.869 -1.769 26059 1013 1 2 . 1 1 55 55 VAL H H 55 9.260 9.260 8.445 0.815 26059 1014 1 2 . 1 1 56 56 PHE N N 56 126.130 126.130 127.190 -1.060 26059 1015 1 2 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.891 -0.169 26059 1016 1 2 . 1 1 56 56 PHE C C 56 174.000 174.000 174.944 -0.944 26059 1017 1 2 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.033 0.547 26059 1018 1 2 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.380 0.510 26059 1019 1 2 . 1 1 56 56 PHE H H 56 9.290 9.290 9.353 -0.063 26059 1020 1 2 . 1 1 57 57 HIS N N 57 124.180 124.180 125.117 -0.937 26059 1021 1 2 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.686 0.114 26059 1022 1 2 . 1 1 57 57 HIS C C 57 174.700 174.700 175.161 -0.461 26059 1023 1 2 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.751 -1.431 26059 1024 1 2 . 1 1 57 57 HIS CB C 57 30.100 30.100 27.940 2.160 26059 1025 1 2 . 1 1 57 57 HIS H H 57 8.690 8.690 8.324 0.366 26059 1026 1 2 . 1 1 58 58 LEU N N 58 122.050 122.050 123.847 -1.797 26059 1027 1 2 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.488 -0.178 26059 1028 1 2 . 1 1 58 58 LEU C C 58 174.400 174.400 176.953 -2.553 26059 1029 1 2 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.691 0.719 26059 1030 1 2 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.729 -1.569 26059 1031 1 2 . 1 1 58 58 LEU H H 58 9.050 9.050 8.488 0.562 26059 1032 1 2 . 1 1 59 59 HIS N N 59 118.510 118.510 118.610 -0.100 26059 1033 1 2 . 1 1 59 59 HIS C C 59 175.300 175.300 176.783 -1.483 26059 1034 1 2 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.999 3.111 26059 1035 1 2 . 1 1 59 59 HIS CB C 59 30.930 30.930 30.949 -0.019 26059 1036 1 2 . 1 1 59 59 HIS H H 59 5.160 5.160 7.817 -2.657 26059 1037 1 2 . 1 1 60 60 GLU N N 60 122.190 122.190 125.253 -3.063 26059 1038 1 2 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.098 -0.138 26059 1039 1 2 . 1 1 60 60 GLU C C 60 175.130 175.130 177.287 -2.157 26059 1040 1 2 . 1 1 60 60 GLU CA C 60 59.010 59.010 58.897 0.113 26059 1041 1 2 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.675 0.145 26059 1042 1 2 . 1 1 60 60 GLU H H 60 7.960 7.960 8.557 -0.597 26059 1043 1 2 . 1 1 61 61 SER N N 61 116.940 116.940 113.874 3.066 26059 1044 1 2 . 1 1 61 61 SER HA H 61 4.200 4.200 4.332 -0.132 26059 1045 1 2 . 1 1 61 61 SER CA C 61 60.010 60.010 60.467 -0.457 26059 1046 1 2 . 1 1 61 61 SER CB C 61 63.140 63.140 63.697 -0.557 26059 1047 1 2 . 1 1 61 61 SER H H 61 8.540 8.540 7.698 0.842 26059 1048 1 2 . 1 1 62 62 PHE N N 62 123.700 123.700 122.469 1.231 26059 1049 1 2 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.816 -0.226 26059 1050 1 2 . 1 1 62 62 PHE CA C 62 57.400 57.400 55.632 1.768 26059 1051 1 2 . 1 1 62 62 PHE CB C 62 38.400 38.400 38.924 -0.524 26059 1052 1 2 . 1 1 62 62 PHE H H 62 8.640 8.640 8.231 0.409 26059 1053 1 2 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.471 -0.061 26059 1054 1 2 . 1 1 63 63 PRO C C 63 176.400 176.400 176.036 0.364 26059 1055 1 2 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.466 -0.866 26059 1056 1 2 . 1 1 63 63 PRO CB C 63 31.860 31.860 31.986 -0.126 26059 1057 1 2 . 1 1 64 64 ARG N N 64 116.840 116.840 118.970 -2.130 26059 1058 1 2 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.091 0.009 26059 1059 1 2 . 1 1 64 64 ARG CA C 64 55.610 55.610 55.996 -0.386 26059 1060 1 2 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.351 0.479 26059 1061 1 2 . 1 1 64 64 ARG H H 64 8.890 8.890 8.600 0.290 26059 1062 1 2 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.326 -0.336 26059 1063 1 2 . 1 1 65 65 PRO C C 65 175.800 175.800 177.183 -1.383 26059 1064 1 2 . 1 1 65 65 PRO CA C 65 65.810 65.810 63.958 1.852 26059 1065 1 2 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.089 -0.209 26059 1066 1 2 . 1 1 66 66 LYS N N 66 119.035 119.035 119.605 -0.570 26059 1067 1 2 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.459 0.151 26059 1068 1 2 . 1 1 66 66 LYS C C 66 175.400 175.400 175.711 -0.311 26059 1069 1 2 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.689 -0.236 26059 1070 1 2 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.117 -0.387 26059 1071 1 2 . 1 1 66 66 LYS H H 66 7.630 7.630 7.910 -0.280 26059 1072 1 2 . 1 1 67 67 ARG N N 67 127.394 127.394 128.310 -0.916 26059 1073 1 2 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.611 0.129 26059 1074 1 2 . 1 1 67 67 ARG C C 67 174.500 174.500 175.073 -0.573 26059 1075 1 2 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.740 0.060 26059 1076 1 2 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.815 -0.101 26059 1077 1 2 . 1 1 67 67 ARG H H 67 8.855 8.855 8.655 0.200 26059 1078 1 2 . 1 1 68 68 VAL N N 68 124.388 124.388 120.552 3.836 26059 1079 1 2 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.363 -0.783 26059 1080 1 2 . 1 1 68 68 VAL C C 68 176.850 176.850 176.007 0.843 26059 1081 1 2 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.523 1.550 26059 1082 1 2 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.481 0.123 26059 1083 1 2 . 1 1 68 68 VAL H H 68 8.681 8.681 8.255 0.426 26059 1084 1 2 . 1 1 69 69 CYS N N 69 127.080 127.080 127.800 -0.720 26059 1085 1 2 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.834 0.236 26059 1086 1 2 . 1 1 69 69 CYS CA C 69 58.346 58.346 58.708 -0.362 26059 1087 1 2 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.410 0.760 26059 1088 1 2 . 1 1 69 69 CYS H H 69 9.455 9.455 9.117 0.338 26059 1089 1 2 . 1 1 70 70 LYS N N 70 125.480 125.480 124.202 1.278 26059 1090 1 2 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.603 -0.113 26059 1091 1 2 . 1 1 70 70 LYS C C 70 174.300 174.300 176.194 -1.894 26059 1092 1 2 . 1 1 70 70 LYS CA C 70 57.360 57.360 56.700 0.660 26059 1093 1 2 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.282 -0.112 26059 1094 1 2 . 1 1 70 70 LYS H H 70 9.050 9.050 8.558 0.492 26059 1095 1 2 . 1 1 71 71 ASP N N 71 116.940 116.940 121.040 -4.100 26059 1096 1 2 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.752 0.348 26059 1097 1 2 . 1 1 71 71 ASP CA C 71 51.080 51.080 53.266 -2.186 26059 1098 1 2 . 1 1 71 71 ASP CB C 71 43.380 43.380 41.657 1.723 26059 1099 1 2 . 1 1 71 71 ASP H H 71 7.620 7.620 7.948 -0.328 26059 1100 1 2 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.196 -0.936 26059 1101 1 2 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.636 -1.986 26059 1102 1 2 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.621 -0.581 26059 1103 1 2 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.869 0.231 26059 1104 1 2 . 1 1 73 73 PRO C C 73 174.700 174.700 176.318 -1.618 26059 1105 1 2 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.831 -2.141 26059 1106 1 2 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.434 2.606 26059 1107 1 2 . 1 1 74 74 TYR N N 74 125.400 125.400 124.741 0.659 26059 1108 1 2 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.369 0.481 26059 1109 1 2 . 1 1 74 74 TYR C C 74 172.900 172.900 175.558 -2.658 26059 1110 1 2 . 1 1 74 74 TYR CA C 74 55.670 55.670 59.251 -3.581 26059 1111 1 2 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.911 -1.511 26059 1112 1 2 . 1 1 74 74 TYR H H 74 8.960 8.960 8.092 0.868 26059 1113 1 2 . 1 1 75 75 LYS N N 75 121.400 121.400 119.773 1.627 26059 1114 1 2 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.597 -0.007 26059 1115 1 2 . 1 1 75 75 LYS C C 75 173.800 173.800 174.992 -1.192 26059 1116 1 2 . 1 1 75 75 LYS CA C 75 54.650 54.650 53.982 0.668 26059 1117 1 2 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.344 -1.454 26059 1118 1 2 . 1 1 75 75 LYS H H 75 7.670 7.670 8.103 -0.433 26059 1119 1 2 . 1 1 76 76 VAL N N 76 119.800 119.800 122.543 -2.743 26059 1120 1 2 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.324 -0.434 26059 1121 1 2 . 1 1 76 76 VAL C C 76 173.900 173.900 174.316 -0.416 26059 1122 1 2 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.603 1.127 26059 1123 1 2 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.249 0.291 26059 1124 1 2 . 1 1 76 76 VAL H H 76 8.180 8.180 8.526 -0.346 26059 1125 1 2 . 1 1 77 77 GLU N N 77 126.190 126.190 126.751 -0.561 26059 1126 1 2 . 1 1 77 77 GLU HA H 77 4.950 4.950 4.949 0.001 26059 1127 1 2 . 1 1 77 77 GLU C C 77 174.700 174.700 175.289 -0.589 26059 1128 1 2 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.965 -0.025 26059 1129 1 2 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.370 0.180 26059 1130 1 2 . 1 1 77 77 GLU H H 77 8.270 8.270 8.693 -0.423 26059 1131 1 2 . 1 1 78 78 GLU N N 78 126.180 126.180 123.999 2.181 26059 1132 1 2 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.627 -0.177 26059 1133 1 2 . 1 1 78 78 GLU C C 78 175.400 175.400 173.719 1.681 26059 1134 1 2 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.020 -0.020 26059 1135 1 2 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.590 3.510 26059 1136 1 2 . 1 1 78 78 GLU H H 78 7.870 7.870 7.900 -0.030 26059 1137 1 2 . 1 1 79 79 SER N N 79 112.109 112.109 114.624 -2.515 26059 1138 1 2 . 1 1 79 79 SER HA H 79 5.560 5.560 5.599 -0.039 26059 1139 1 2 . 1 1 79 79 SER C C 79 172.490 172.490 173.491 -1.001 26059 1140 1 2 . 1 1 79 79 SER CA C 79 57.754 57.754 56.241 1.513 26059 1141 1 2 . 1 1 79 79 SER CB C 79 65.861 65.861 65.748 0.113 26059 1142 1 2 . 1 1 79 79 SER H H 79 7.714 7.714 8.407 -0.693 26059 1143 1 2 . 1 1 80 80 GLY N N 80 106.048 106.048 110.502 -4.454 26059 1144 1 2 . 1 1 80 80 GLY C C 80 172.630 172.630 172.084 0.546 26059 1145 1 2 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.197 0.503 26059 1146 1 2 . 1 1 80 80 GLY H H 80 8.828 8.828 8.932 -0.104 26059 1147 1 2 . 1 1 81 81 TYR N N 81 115.280 115.280 116.364 -1.084 26059 1148 1 2 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.374 0.306 26059 1149 1 2 . 1 1 81 81 TYR C C 81 174.100 174.100 174.407 -0.307 26059 1150 1 2 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.016 -1.516 26059 1151 1 2 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.538 0.462 26059 1152 1 2 . 1 1 81 81 TYR H H 81 8.770 8.770 7.966 0.804 26059 1153 1 2 . 1 1 82 82 ALA N N 82 122.350 122.350 122.916 -0.566 26059 1154 1 2 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.541 -0.101 26059 1155 1 2 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.513 -0.473 26059 1156 1 2 . 1 1 82 82 ALA CB C 82 22.400 22.400 21.016 1.384 26059 1157 1 2 . 1 1 82 82 ALA H H 82 7.160 7.160 7.110 0.050 26059 1158 1 2 . 1 1 83 83 GLY N N 83 107.100 107.100 108.733 -1.633 26059 1159 1 2 . 1 1 83 83 GLY C C 83 172.500 172.500 173.572 -1.072 26059 1160 1 2 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.650 -0.040 26059 1161 1 2 . 1 1 83 83 GLY H H 83 8.220 8.220 8.314 -0.094 26059 1162 1 2 . 1 1 84 84 PHE N N 84 111.660 111.660 115.232 -3.572 26059 1163 1 2 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.585 0.105 26059 1164 1 2 . 1 1 84 84 PHE C C 84 172.460 172.460 173.229 -0.769 26059 1165 1 2 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.846 0.654 26059 1166 1 2 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.854 -1.274 26059 1167 1 2 . 1 1 84 84 PHE H H 84 7.700 7.700 8.036 -0.336 26059 1168 1 2 . 1 1 85 85 ILE N N 85 117.810 117.810 121.337 -3.527 26059 1169 1 2 . 1 1 85 85 ILE HA H 85 4.310 4.310 3.899 0.411 26059 1170 1 2 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.825 -1.485 26059 1171 1 2 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.876 -1.615 26059 1172 1 2 . 1 1 85 85 ILE H H 85 8.340 8.340 8.291 0.049 26059 1173 1 2 . 1 1 86 86 LEU N N 86 108.130 108.130 128.907 -20.777 26059 1174 1 2 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.920 0.060 26059 1175 1 2 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.687 2.513 26059 1176 1 2 . 1 1 86 86 LEU CB C 86 45.300 45.300 44.544 0.756 26059 1177 1 2 . 1 1 86 86 LEU H H 86 9.900 9.900 8.584 1.316 26059 1178 1 2 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.672 0.428 26059 1179 1 2 . 1 1 87 87 PRO C C 87 175.340 175.340 175.889 -0.549 26059 1180 1 2 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.027 0.083 26059 1181 1 2 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.137 0.423 26059 1182 1 2 . 1 1 88 88 ILE N N 88 126.000 126.000 127.024 -1.024 26059 1183 1 2 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.539 0.251 26059 1184 1 2 . 1 1 88 88 ILE C C 88 176.100 176.100 174.941 1.159 26059 1185 1 2 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.333 0.227 26059 1186 1 2 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.754 2.247 26059 1187 1 2 . 1 1 88 88 ILE H H 88 9.380 9.380 8.937 0.443 26059 1188 1 2 . 1 1 89 89 GLU N N 89 123.900 123.900 127.846 -3.946 26059 1189 1 2 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.114 0.086 26059 1190 1 2 . 1 1 89 89 GLU C C 89 173.800 173.800 175.368 -1.568 26059 1191 1 2 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.314 -0.344 26059 1192 1 2 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.983 2.397 26059 1193 1 2 . 1 1 89 89 GLU H H 89 9.320 9.320 8.461 0.859 26059 1194 1 2 . 1 1 90 90 VAL N N 90 123.980 123.980 124.393 -0.413 26059 1195 1 2 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.849 0.311 26059 1196 1 2 . 1 1 90 90 VAL C C 90 174.800 174.800 174.327 0.473 26059 1197 1 2 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.747 -0.357 26059 1198 1 2 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.891 -0.401 26059 1199 1 2 . 1 1 90 90 VAL H H 90 8.630 8.630 7.916 0.714 26059 1200 1 2 . 1 1 91 91 TYR N N 91 124.230 124.230 126.325 -2.095 26059 1201 1 2 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.758 -0.098 26059 1202 1 2 . 1 1 91 91 TYR C C 91 176.800 176.800 175.289 1.511 26059 1203 1 2 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.295 -0.595 26059 1204 1 2 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.436 0.804 26059 1205 1 2 . 1 1 91 91 TYR H H 91 8.640 8.640 8.852 -0.212 26059 1206 1 2 . 1 1 92 92 PHE N N 92 121.200 121.200 121.655 -0.455 26059 1207 1 2 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.578 0.082 26059 1208 1 2 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.011 1.500 26059 1209 1 2 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.251 -0.251 26059 1210 1 2 . 1 1 92 92 PHE H H 92 8.750 8.750 9.092 -0.342 26059 1211 1 2 . 1 1 93 93 LYS N N 93 123.450 123.450 121.771 1.679 26059 1212 1 2 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.751 -0.151 26059 1213 1 2 . 1 1 93 93 LYS C C 93 174.200 174.200 175.230 -1.030 26059 1214 1 2 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.363 -0.183 26059 1215 1 2 . 1 1 93 93 LYS CB C 93 31.680 31.680 32.193 -0.513 26059 1216 1 2 . 1 1 93 93 LYS H H 93 8.560 8.560 8.630 -0.070 26059 1217 1 2 . 1 1 94 94 ASN N N 94 118.800 118.800 121.584 -2.784 26059 1218 1 2 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.830 -0.390 26059 1219 1 2 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.268 -1.058 26059 1220 1 2 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.066 -1.266 26059 1221 1 2 . 1 1 94 94 ASN H H 94 7.820 7.820 8.365 -0.545 26059 1222 1 2 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.564 -0.234 26059 1223 1 2 . 1 1 95 95 LYS C C 95 175.800 175.800 176.193 -0.393 26059 1224 1 2 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.303 -0.093 26059 1225 1 2 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.832 0.178 26059 1226 1 2 . 1 1 96 96 GLU N N 96 118.330 118.330 120.883 -2.553 26059 1227 1 2 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.351 0.159 26059 1228 1 2 . 1 1 96 96 GLU C C 96 173.200 173.200 175.791 -2.591 26059 1229 1 2 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.737 -0.637 26059 1230 1 2 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.916 0.554 26059 1231 1 2 . 1 1 96 96 GLU H H 96 7.120 7.120 8.156 -1.036 26059 1232 1 2 . 1 1 97 97 GLU N N 97 115.630 115.630 119.883 -4.253 26059 1233 1 2 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.077 0.353 26059 1234 1 2 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.506 -1.646 26059 1235 1 2 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.784 0.486 26059 1236 1 2 . 1 1 97 97 GLU H H 97 8.060 8.060 8.595 -0.535 26059 1237 1 2 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.221 0.779 26059 1238 1 2 . 1 1 98 98 PRO C C 98 175.900 175.900 176.787 -0.887 26059 1239 1 2 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.151 -1.991 26059 1240 1 2 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.763 2.237 26059 1241 1 2 . 1 1 99 99 ARG N N 99 122.800 122.800 120.730 2.070 26059 1242 1 2 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.431 0.199 26059 1243 1 2 . 1 1 99 99 ARG C C 99 175.800 175.800 175.576 0.224 26059 1244 1 2 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.844 0.356 26059 1245 1 2 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.299 0.111 26059 1246 1 2 . 1 1 99 99 ARG H H 99 8.602 8.602 8.657 -0.055 26059 1247 1 2 . 1 1 100 100 LYS N N 100 113.220 113.220 116.593 -3.373 26059 1248 1 2 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.991 -0.051 26059 1249 1 2 . 1 1 100 100 LYS C C 100 174.100 174.100 174.607 -0.507 26059 1250 1 2 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.839 -0.448 26059 1251 1 2 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.899 -1.179 26059 1252 1 2 . 1 1 100 100 LYS H H 100 7.650 7.650 7.275 0.375 26059 1253 1 2 . 1 1 101 101 VAL N N 101 116.230 116.230 117.508 -1.278 26059 1254 1 2 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.367 -0.097 26059 1255 1 2 . 1 1 101 101 VAL C C 101 171.600 171.600 173.461 -1.861 26059 1256 1 2 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.174 1.086 26059 1257 1 2 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.416 -0.236 26059 1258 1 2 . 1 1 101 101 VAL H H 101 8.120 8.120 8.184 -0.064 26059 1259 1 2 . 1 1 102 102 ARG N N 102 124.980 124.980 123.665 1.315 26059 1260 1 2 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.741 0.419 26059 1261 1 2 . 1 1 102 102 ARG C C 102 174.340 174.340 174.863 -0.523 26059 1262 1 2 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.839 -1.089 26059 1263 1 2 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.628 1.722 26059 1264 1 2 . 1 1 102 102 ARG H H 102 7.930 7.930 8.053 -0.123 26059 1265 1 2 . 1 1 103 103 PHE N N 103 124.590 124.590 126.633 -2.043 26059 1266 1 2 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.727 0.065 26059 1267 1 2 . 1 1 103 103 PHE C C 103 174.280 174.280 175.093 -0.813 26059 1268 1 2 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.475 1.005 26059 1269 1 2 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.429 1.821 26059 1270 1 2 . 1 1 103 103 PHE H H 103 9.390 9.390 9.083 0.307 26059 1271 1 2 . 1 1 104 104 ASP N N 104 124.700 124.700 124.744 -0.044 26059 1272 1 2 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.618 0.181 26059 1273 1 2 . 1 1 104 104 ASP C C 104 174.500 174.500 174.879 -0.379 26059 1274 1 2 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.760 0.630 26059 1275 1 2 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.598 -0.368 26059 1276 1 2 . 1 1 104 104 ASP H H 104 9.010 9.010 9.026 -0.016 26059 1277 1 2 . 1 1 105 105 TYR N N 105 129.840 129.840 124.955 4.885 26059 1278 1 2 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.728 -0.658 26059 1279 1 2 . 1 1 105 105 TYR C C 105 173.100 173.100 173.062 0.038 26059 1280 1 2 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.950 1.730 26059 1281 1 2 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.335 -0.485 26059 1282 1 2 . 1 1 105 105 TYR H H 105 8.140 8.140 8.323 -0.183 26059 1283 1 2 . 1 1 106 106 ASP N N 106 126.800 126.800 127.696 -0.896 26059 1284 1 2 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.394 -0.174 26059 1285 1 2 . 1 1 106 106 ASP C C 106 172.900 172.900 174.727 -1.827 26059 1286 1 2 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.937 -0.427 26059 1287 1 2 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.479 -1.979 26059 1288 1 2 . 1 1 106 106 ASP H H 106 7.730 7.730 8.466 -0.736 26059 1289 1 2 . 1 1 107 107 LEU N N 107 132.150 132.150 128.719 3.431 26059 1290 1 2 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.569 -0.729 26059 1291 1 2 . 1 1 107 107 LEU C C 107 172.100 172.100 174.884 -2.784 26059 1292 1 2 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.403 -0.203 26059 1293 1 2 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.670 -1.430 26059 1294 1 2 . 1 1 107 107 LEU H H 107 7.770 7.770 7.875 -0.105 26059 1295 1 2 . 1 1 108 108 PHE N N 108 118.960 118.960 122.013 -3.053 26059 1296 1 2 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.863 -0.173 26059 1297 1 2 . 1 1 108 108 PHE C C 108 174.300 174.300 173.725 0.575 26059 1298 1 2 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.630 -0.940 26059 1299 1 2 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.801 -0.511 26059 1300 1 2 . 1 1 108 108 PHE H H 108 6.060 6.060 7.486 -1.426 26059 1301 1 2 . 1 1 109 109 LEU N N 109 118.900 118.900 119.943 -1.043 26059 1302 1 2 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.602 -0.202 26059 1303 1 2 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.310 -1.150 26059 1304 1 2 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.654 -2.574 26059 1305 1 2 . 1 1 109 109 LEU H H 109 8.388 8.388 8.160 0.228 26059 1306 1 2 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.503 -0.063 26059 1307 1 2 . 1 1 111 111 LEU C C 111 177.300 177.300 176.835 0.465 26059 1308 1 2 . 1 1 111 111 LEU CA C 111 54.220 54.220 54.989 -0.769 26059 1309 1 2 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.553 1.317 26059 1310 1 2 . 1 1 112 112 GLU N N 112 120.660 120.660 124.760 -4.100 26059 1311 1 2 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.097 0.073 26059 1312 1 2 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.371 0.089 26059 1313 1 2 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.520 -0.330 26059 1314 1 2 . 1 1 112 112 GLU H H 112 8.780 8.780 8.852 -0.072 26059 1315 1 2 . 1 1 113 113 GLY C C 113 173.900 173.900 173.774 0.126 26059 1316 1 2 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.896 0.054 26059 1317 1 2 . 1 1 114 114 HIS N N 114 120.890 120.890 121.436 -0.546 26059 1318 1 2 . 1 1 114 114 HIS HA H 114 4.906 4.906 5.033 -0.127 26059 1319 1 2 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.773 0.997 26059 1320 1 2 . 1 1 114 114 HIS CB C 114 30.590 30.590 31.269 -0.679 26059 1321 1 2 . 1 1 114 114 HIS H H 114 7.934 7.934 7.993 -0.059 26059 1322 1 2 . 1 1 115 115 PRO HA H 115 4.800 4.800 5.214 -0.414 26059 1323 1 2 . 1 1 115 115 PRO CA C 115 62.090 62.090 60.669 1.421 26059 1324 1 2 . 1 1 115 115 PRO CB C 115 30.680 30.680 32.440 -1.760 26059 1325 1 2 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.479 -0.269 26059 1326 1 2 . 1 1 116 116 PRO C C 116 176.600 176.600 175.439 1.161 26059 1327 1 2 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.266 0.034 26059 1328 1 2 . 1 1 117 117 VAL N N 117 127.480 127.480 125.601 1.879 26059 1329 1 2 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.223 -0.433 26059 1330 1 2 . 1 1 117 117 VAL CA C 117 62.700 62.700 60.971 1.729 26059 1331 1 2 . 1 1 117 117 VAL CB C 117 33.200 33.200 31.648 1.552 26059 1332 1 2 . 1 1 117 117 VAL H H 117 8.890 8.890 7.787 1.103 26059 1333 1 2 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.103 -0.113 26059 1334 1 2 . 1 1 118 118 ASN C C 118 172.700 172.700 173.703 -1.003 26059 1335 1 2 . 1 1 118 118 ASN CA C 118 53.360 53.360 53.240 0.120 26059 1336 1 2 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.041 -0.841 26059 1337 1 2 . 1 1 119 119 HIS N N 119 124.930 124.930 125.993 -1.063 26059 1338 1 2 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.090 -0.270 26059 1339 1 2 . 1 1 119 119 HIS C C 119 173.500 173.500 173.161 0.339 26059 1340 1 2 . 1 1 119 119 HIS CA C 119 56.970 56.970 54.981 1.989 26059 1341 1 2 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.427 0.843 26059 1342 1 2 . 1 1 119 119 HIS H H 119 8.790 8.790 8.398 0.392 26059 1343 1 2 . 1 1 120 120 LEU N N 120 128.280 128.280 124.737 3.543 26059 1344 1 2 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.582 0.368 26059 1345 1 2 . 1 1 120 120 LEU C C 120 174.030 174.030 175.613 -1.583 26059 1346 1 2 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.528 0.472 26059 1347 1 2 . 1 1 120 120 LEU CB C 120 46.600 46.600 45.093 1.508 26059 1348 1 2 . 1 1 120 120 LEU H H 120 7.460 7.460 8.553 -1.093 26059 1349 1 2 . 1 1 121 121 ARG N N 121 128.060 128.060 121.305 6.755 26059 1350 1 2 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.517 0.123 26059 1351 1 2 . 1 1 121 121 ARG C C 121 173.400 173.400 173.558 -0.158 26059 1352 1 2 . 1 1 121 121 ARG CA C 121 54.360 54.360 55.135 -0.775 26059 1353 1 2 . 1 1 121 121 ARG CB C 121 34.260 34.260 33.792 0.468 26059 1354 1 2 . 1 1 121 121 ARG H H 121 9.860 9.860 8.356 1.504 26059 1355 1 2 . 1 1 122 122 CYS N N 122 125.290 125.290 124.273 1.017 26059 1356 1 2 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.192 -0.172 26059 1357 1 2 . 1 1 122 122 CYS C C 122 174.600 174.600 173.833 0.767 26059 1358 1 2 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.224 1.066 26059 1359 1 2 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.137 -1.107 26059 1360 1 2 . 1 1 122 122 CYS H H 122 8.835 8.835 8.716 0.119 26059 1361 1 2 . 1 1 123 123 GLU N N 123 125.920 125.920 125.310 0.610 26059 1362 1 2 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.428 0.252 26059 1363 1 2 . 1 1 123 123 GLU C C 123 174.500 174.500 174.895 -0.395 26059 1364 1 2 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.670 -0.250 26059 1365 1 2 . 1 1 123 123 GLU CB C 123 32.583 32.583 31.702 0.881 26059 1366 1 2 . 1 1 123 123 GLU H H 123 8.970 8.970 9.099 -0.129 26059 1367 1 2 . 1 1 124 124 LYS N N 124 121.837 121.837 126.484 -4.647 26059 1368 1 2 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.647 0.313 26059 1369 1 2 . 1 1 124 124 LYS C C 124 175.700 175.700 176.132 -0.432 26059 1370 1 2 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.821 -0.464 26059 1371 1 2 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.356 0.833 26059 1372 1 2 . 1 1 124 124 LYS H H 124 8.652 8.652 8.592 0.060 26059 1373 1 2 . 1 1 125 125 LEU N N 125 127.000 127.000 129.530 -2.530 26059 1374 1 2 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.475 0.175 26059 1375 1 2 . 1 1 125 125 LEU C C 125 175.110 175.110 175.268 -0.158 26059 1376 1 2 . 1 1 125 125 LEU CA C 125 53.854 53.854 53.853 0.000 26059 1377 1 2 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.922 1.345 26059 1378 1 2 . 1 1 125 125 LEU H H 125 9.175 9.175 8.966 0.209 26059 1379 1 2 . 1 1 126 126 THR N N 126 117.779 117.779 120.985 -3.206 26059 1380 1 2 . 1 1 126 126 THR HA H 126 4.650 4.650 4.403 0.247 26059 1381 1 2 . 1 1 126 126 THR C C 126 173.200 173.200 173.544 -0.344 26059 1382 1 2 . 1 1 126 126 THR CA C 126 62.036 62.036 62.022 0.014 26059 1383 1 2 . 1 1 126 126 THR CB C 126 70.284 70.284 69.268 1.016 26059 1384 1 2 . 1 1 126 126 THR H H 126 8.331 8.331 8.424 -0.093 26059 1385 1 2 . 1 1 127 127 PHE N N 127 126.576 126.576 127.490 -0.914 26059 1386 1 2 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.726 -0.136 26059 1387 1 2 . 1 1 127 127 PHE C C 127 174.860 174.860 174.145 0.715 26059 1388 1 2 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.382 1.482 26059 1389 1 2 . 1 1 127 127 PHE CB C 127 39.000 39.000 39.731 -0.731 26059 1390 1 2 . 1 1 127 127 PHE H H 127 9.051 9.051 8.945 0.106 26059 1391 1 2 . 1 1 128 128 ASN N N 128 123.040 123.040 122.125 0.915 26059 1392 1 2 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.714 -0.094 26059 1393 1 2 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.375 1.105 26059 1394 1 2 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.646 0.814 26059 1395 1 2 . 1 1 128 128 ASN H H 128 8.880 8.880 8.795 0.085 26059 1396 1 2 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.542 0.218 26059 1397 1 2 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.562 -0.662 26059 1398 1 2 . 1 1 129 129 ASN CB C 129 38.730 38.730 36.631 2.099 26059 1399 1 2 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.563 0.227 26059 1400 1 2 . 1 1 130 130 PRO C C 130 177.470 177.470 176.399 1.071 26059 1401 1 2 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.330 0.244 26059 1402 1 2 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.568 -0.258 26059 1403 1 2 . 1 1 131 131 THR N N 131 113.400 113.400 109.736 3.664 26059 1404 1 2 . 1 1 131 131 THR HA H 131 4.300 4.300 4.397 -0.097 26059 1405 1 2 . 1 1 131 131 THR C C 131 175.200 175.200 175.907 -0.707 26059 1406 1 2 . 1 1 131 131 THR CA C 131 62.200 62.200 60.456 1.744 26059 1407 1 2 . 1 1 131 131 THR CB C 131 70.600 70.600 70.235 0.365 26059 1408 1 2 . 1 1 131 131 THR H H 131 8.950 8.950 8.173 0.777 26059 1409 1 2 . 1 1 132 132 GLU N N 132 122.199 122.199 123.973 -1.774 26059 1410 1 2 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.857 0.153 26059 1411 1 2 . 1 1 132 132 GLU C C 132 178.700 178.700 177.845 0.855 26059 1412 1 2 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.621 -0.327 26059 1413 1 2 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.525 -0.364 26059 1414 1 2 . 1 1 132 132 GLU H H 132 8.932 8.932 9.083 -0.151 26059 1415 1 2 . 1 1 133 133 ASP N N 133 116.324 116.324 117.714 -1.390 26059 1416 1 2 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.392 -0.062 26059 1417 1 2 . 1 1 133 133 ASP C C 133 177.800 177.800 178.374 -0.574 26059 1418 1 2 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.820 0.540 26059 1419 1 2 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.852 1.971 26059 1420 1 2 . 1 1 133 133 ASP H H 133 8.490 8.490 8.795 -0.305 26059 1421 1 2 . 1 1 134 134 PHE N N 134 119.914 119.914 122.243 -2.329 26059 1422 1 2 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.238 0.372 26059 1423 1 2 . 1 1 134 134 PHE C C 134 177.300 177.300 177.096 0.204 26059 1424 1 2 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.141 -0.603 26059 1425 1 2 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.413 -0.213 26059 1426 1 2 . 1 1 134 134 PHE H H 134 7.787 7.787 7.877 -0.090 26059 1427 1 2 . 1 1 135 135 ARG N N 135 119.794 119.794 120.612 -0.818 26059 1428 1 2 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.757 -0.407 26059 1429 1 2 . 1 1 135 135 ARG C C 135 177.370 177.370 178.137 -0.767 26059 1430 1 2 . 1 1 135 135 ARG CA C 135 60.376 60.376 59.991 0.385 26059 1431 1 2 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.054 0.342 26059 1432 1 2 . 1 1 135 135 ARG H H 135 9.087 9.087 8.241 0.846 26059 1433 1 2 . 1 1 136 136 ARG N N 136 114.554 114.554 118.639 -4.085 26059 1434 1 2 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.955 -0.135 26059 1435 1 2 . 1 1 136 136 ARG C C 136 178.950 178.950 178.595 0.355 26059 1436 1 2 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.616 -0.316 26059 1437 1 2 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.046 0.171 26059 1438 1 2 . 1 1 136 136 ARG H H 136 7.747 7.747 8.587 -0.840 26059 1439 1 2 . 1 1 137 137 LYS N N 137 118.298 118.298 118.594 -0.296 26059 1440 1 2 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.031 -0.131 26059 1441 1 2 . 1 1 137 137 LYS C C 137 177.980 177.980 178.877 -0.897 26059 1442 1 2 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.322 1.073 26059 1443 1 2 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.336 0.111 26059 1444 1 2 . 1 1 137 137 LYS H H 137 7.154 7.154 7.377 -0.223 26059 1445 1 2 . 1 1 138 138 LEU N N 138 117.159 117.159 118.992 -1.833 26059 1446 1 2 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.798 -0.378 26059 1447 1 2 . 1 1 138 138 LEU C C 138 179.100 179.100 178.453 0.647 26059 1448 1 2 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.122 0.109 26059 1449 1 2 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.523 0.805 26059 1450 1 2 . 1 1 138 138 LEU H H 138 7.709 7.709 7.752 -0.043 26059 1451 1 2 . 1 1 139 139 LEU N N 139 115.158 115.158 117.025 -1.867 26059 1452 1 2 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.138 0.012 26059 1453 1 2 . 1 1 139 139 LEU C C 139 177.600 177.600 178.455 -0.855 26059 1454 1 2 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.586 -1.057 26059 1455 1 2 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.985 -0.241 26059 1456 1 2 . 1 1 139 139 LEU H H 139 7.507 7.507 8.056 -0.549 26059 1457 1 2 . 1 1 140 140 LYS N N 140 120.256 120.256 119.425 0.831 26059 1458 1 2 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.056 0.054 26059 1459 1 2 . 1 1 140 140 LYS C C 140 175.800 175.800 177.174 -1.374 26059 1460 1 2 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.297 -0.245 26059 1461 1 2 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.727 -0.081 26059 1462 1 2 . 1 1 140 140 LYS H H 140 7.304 7.304 7.511 -0.207 26059 1463 1 3 . 1 1 4 4 MET C C 4 175.800 175.800 175.794 0.006 26059 1464 1 3 . 1 1 4 4 MET CA C 4 55.350 55.350 55.261 0.089 26059 1465 1 3 . 1 1 4 4 MET CB C 4 32.880 32.880 32.436 0.444 26059 1466 1 3 . 1 1 5 5 ALA N N 5 125.230 125.230 121.581 3.649 26059 1467 1 3 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.183 0.167 26059 1468 1 3 . 1 1 5 5 ALA CA C 5 52.430 52.430 52.462 -0.032 26059 1469 1 3 . 1 1 5 5 ALA CB C 5 19.370 19.370 18.674 0.697 26059 1470 1 3 . 1 1 5 5 ALA H H 5 8.320 8.320 7.703 0.617 26059 1471 1 3 . 1 1 6 6 SER HA H 6 4.490 4.490 4.630 -0.140 26059 1472 1 3 . 1 1 6 6 SER CA C 6 58.200 58.200 57.533 0.667 26059 1473 1 3 . 1 1 6 6 SER CB C 6 63.700 63.700 64.355 -0.654 26059 1474 1 3 . 1 1 7 7 SER HA H 7 4.530 4.530 4.363 0.167 26059 1475 1 3 . 1 1 7 7 SER CA C 7 58.200 58.200 58.832 -0.632 26059 1476 1 3 . 1 1 7 7 SER CB C 7 63.700 63.700 62.804 0.895 26059 1477 1 3 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.704 -0.094 26059 1478 1 3 . 1 1 8 8 CYS C C 8 173.500 173.500 173.751 -0.251 26059 1479 1 3 . 1 1 8 8 CYS CA C 8 58.340 58.340 56.461 1.879 26059 1480 1 3 . 1 1 8 8 CYS CB C 8 28.490 28.490 27.994 0.496 26059 1481 1 3 . 1 1 9 9 ALA N N 9 124.700 124.700 128.856 -4.156 26059 1482 1 3 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.083 -0.293 26059 1483 1 3 . 1 1 9 9 ALA C C 9 177.400 177.400 176.438 0.962 26059 1484 1 3 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.562 1.508 26059 1485 1 3 . 1 1 9 9 ALA CB C 9 20.629 20.629 21.253 -0.624 26059 1486 1 3 . 1 1 9 9 ALA H H 9 7.960 7.960 8.274 -0.314 26059 1487 1 3 . 1 1 10 10 VAL N N 10 120.124 120.124 122.639 -2.515 26059 1488 1 3 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.295 -0.005 26059 1489 1 3 . 1 1 10 10 VAL C C 10 173.900 173.900 174.918 -1.018 26059 1490 1 3 . 1 1 10 10 VAL CA C 10 61.550 61.550 60.946 0.604 26059 1491 1 3 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.376 1.524 26059 1492 1 3 . 1 1 10 10 VAL H H 10 8.424 8.424 8.842 -0.418 26059 1493 1 3 . 1 1 11 11 GLN N N 11 125.818 125.818 124.554 1.264 26059 1494 1 3 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.390 0.170 26059 1495 1 3 . 1 1 11 11 GLN C C 11 175.400 175.400 175.133 0.267 26059 1496 1 3 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.296 -0.173 26059 1497 1 3 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.853 1.176 26059 1498 1 3 . 1 1 11 11 GLN H H 11 8.636 8.636 8.411 0.225 26059 1499 1 3 . 1 1 12 12 VAL N N 12 119.106 119.106 118.548 0.558 26059 1500 1 3 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.406 0.224 26059 1501 1 3 . 1 1 12 12 VAL C C 12 173.800 173.800 174.467 -0.667 26059 1502 1 3 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.501 0.299 26059 1503 1 3 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.968 1.743 26059 1504 1 3 . 1 1 12 12 VAL H H 12 8.827 8.827 8.689 0.138 26059 1505 1 3 . 1 1 13 13 LYS N N 13 121.700 121.700 121.993 -0.293 26059 1506 1 3 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.419 -0.219 26059 1507 1 3 . 1 1 13 13 LYS C C 13 175.030 175.030 175.454 -0.424 26059 1508 1 3 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.099 0.331 26059 1509 1 3 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.236 0.684 26059 1510 1 3 . 1 1 13 13 LYS H H 13 8.234 8.234 8.441 -0.207 26059 1511 1 3 . 1 1 14 14 LEU N N 14 119.100 119.100 123.559 -4.459 26059 1512 1 3 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.322 -0.372 26059 1513 1 3 . 1 1 14 14 LEU C C 14 175.110 175.110 175.559 -0.449 26059 1514 1 3 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.259 0.098 26059 1515 1 3 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.766 1.155 26059 1516 1 3 . 1 1 14 14 LEU H H 14 8.840 8.840 8.640 0.200 26059 1517 1 3 . 1 1 15 15 GLU N N 15 120.978 120.978 123.608 -2.630 26059 1518 1 3 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.412 -0.422 26059 1519 1 3 . 1 1 15 15 GLU C C 15 173.800 173.800 175.388 -1.588 26059 1520 1 3 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.261 1.167 26059 1521 1 3 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.471 -0.645 26059 1522 1 3 . 1 1 15 15 GLU H H 15 9.181 9.181 9.262 -0.081 26059 1523 1 3 . 1 1 16 16 LEU N N 16 124.438 124.438 128.292 -3.854 26059 1524 1 3 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.128 -0.018 26059 1525 1 3 . 1 1 16 16 LEU C C 16 174.700 174.700 175.949 -1.249 26059 1526 1 3 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.839 0.237 26059 1527 1 3 . 1 1 16 16 LEU CB C 16 44.892 44.892 40.554 4.338 26059 1528 1 3 . 1 1 16 16 LEU H H 16 8.891 8.891 8.478 0.413 26059 1529 1 3 . 1 1 17 17 GLY N N 17 108.067 108.067 111.052 -2.985 26059 1530 1 3 . 1 1 17 17 GLY C C 17 170.350 170.350 171.578 -1.228 26059 1531 1 3 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.404 2.580 26059 1532 1 3 . 1 1 17 17 GLY H H 17 7.227 7.227 8.906 -1.679 26059 1533 1 3 . 1 1 18 18 HIS N N 18 111.200 111.200 116.901 -5.701 26059 1534 1 3 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.177 0.443 26059 1535 1 3 . 1 1 18 18 HIS C C 18 172.400 172.400 172.684 -0.284 26059 1536 1 3 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.841 0.099 26059 1537 1 3 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.642 1.518 26059 1538 1 3 . 1 1 18 18 HIS H H 18 8.150 8.150 8.578 -0.428 26059 1539 1 3 . 1 1 19 19 ARG N N 19 117.800 117.800 121.160 -3.360 26059 1540 1 3 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.282 -0.182 26059 1541 1 3 . 1 1 19 19 ARG C C 19 175.800 175.800 174.647 1.153 26059 1542 1 3 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.234 -0.734 26059 1543 1 3 . 1 1 19 19 ARG CB C 19 34.650 34.650 33.983 0.668 26059 1544 1 3 . 1 1 19 19 ARG H H 19 9.010 9.010 8.646 0.364 26059 1545 1 3 . 1 1 20 20 ALA N N 20 120.390 120.390 125.450 -5.060 26059 1546 1 3 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.274 0.266 26059 1547 1 3 . 1 1 20 20 ALA C C 20 175.800 175.800 175.495 0.305 26059 1548 1 3 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.731 0.859 26059 1549 1 3 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.264 1.486 26059 1550 1 3 . 1 1 20 20 ALA H H 20 8.070 8.070 8.962 -0.892 26059 1551 1 3 . 1 1 21 21 GLN N N 21 121.790 121.790 124.438 -2.648 26059 1552 1 3 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.109 0.121 26059 1553 1 3 . 1 1 21 21 GLN CA C 21 54.330 54.330 54.200 0.131 26059 1554 1 3 . 1 1 21 21 GLN CB C 21 32.900 32.900 33.206 -0.306 26059 1555 1 3 . 1 1 21 21 GLN H H 21 9.240 9.240 9.191 0.049 26059 1556 1 3 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.411 -0.781 26059 1557 1 3 . 1 1 22 22 VAL C C 22 176.500 176.500 175.239 1.261 26059 1558 1 3 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.109 2.921 26059 1559 1 3 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.381 -2.781 26059 1560 1 3 . 1 1 23 23 ARG N N 23 127.840 127.840 124.297 3.543 26059 1561 1 3 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.646 -0.516 26059 1562 1 3 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.858 1.342 26059 1563 1 3 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.311 0.839 26059 1564 1 3 . 1 1 23 23 ARG H H 23 8.720 8.720 8.685 0.035 26059 1565 1 3 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.159 -0.119 26059 1566 1 3 . 1 1 24 24 LYS C C 24 176.960 176.960 176.807 0.153 26059 1567 1 3 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.677 1.123 26059 1568 1 3 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.874 -0.814 26059 1569 1 3 . 1 1 25 25 LYS N N 25 115.870 115.870 119.517 -3.647 26059 1570 1 3 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.700 0.130 26059 1571 1 3 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.196 -0.236 26059 1572 1 3 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.409 1.671 26059 1573 1 3 . 1 1 25 25 LYS H H 25 7.720 7.720 7.669 0.051 26059 1574 1 3 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.513 0.317 26059 1575 1 3 . 1 1 26 26 PRO C C 26 177.400 177.400 176.911 0.489 26059 1576 1 3 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.138 -0.488 26059 1577 1 3 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.231 0.159 26059 1578 1 3 . 1 1 27 27 THR N N 27 111.270 111.270 114.905 -3.635 26059 1579 1 3 . 1 1 27 27 THR HA H 27 4.530 4.530 4.265 0.265 26059 1580 1 3 . 1 1 27 27 THR C C 27 177.300 177.300 176.988 0.312 26059 1581 1 3 . 1 1 27 27 THR CA C 27 61.300 61.300 61.335 -0.035 26059 1582 1 3 . 1 1 27 27 THR CB C 27 71.460 71.460 69.991 1.469 26059 1583 1 3 . 1 1 27 27 THR H H 27 8.380 8.380 8.308 0.072 26059 1584 1 3 . 1 1 28 28 VAL N N 28 121.170 121.170 118.932 2.238 26059 1585 1 3 . 1 1 28 28 VAL HA H 28 3.883 3.883 4.013 -0.130 26059 1586 1 3 . 1 1 28 28 VAL C C 28 177.030 177.030 176.002 1.028 26059 1587 1 3 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.717 0.483 26059 1588 1 3 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.621 -0.221 26059 1589 1 3 . 1 1 28 28 VAL H H 28 8.910 8.910 8.528 0.382 26059 1590 1 3 . 1 1 29 29 GLU N N 29 116.800 116.800 120.926 -4.126 26059 1591 1 3 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.055 -0.135 26059 1592 1 3 . 1 1 29 29 GLU C C 29 176.200 176.200 176.379 -0.179 26059 1593 1 3 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.639 1.611 26059 1594 1 3 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.666 -0.496 26059 1595 1 3 . 1 1 29 29 GLU H H 29 7.990 7.990 8.061 -0.071 26059 1596 1 3 . 1 1 30 30 GLY N N 30 105.500 105.500 106.832 -1.332 26059 1597 1 3 . 1 1 30 30 GLY C C 30 174.900 174.900 173.747 1.153 26059 1598 1 3 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.212 -0.753 26059 1599 1 3 . 1 1 30 30 GLY H H 30 7.950 7.950 7.663 0.287 26059 1600 1 3 . 1 1 31 31 PHE N N 31 119.300 119.300 118.275 1.025 26059 1601 1 3 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.926 -0.166 26059 1602 1 3 . 1 1 31 31 PHE C C 31 176.400 176.400 176.151 0.249 26059 1603 1 3 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.248 1.652 26059 1604 1 3 . 1 1 31 31 PHE CB C 31 35.500 35.500 40.274 -4.774 26059 1605 1 3 . 1 1 31 31 PHE H H 31 7.520 7.520 7.483 0.037 26059 1606 1 3 . 1 1 32 32 THR N N 32 112.300 112.300 115.482 -3.182 26059 1607 1 3 . 1 1 32 32 THR HA H 32 4.330 4.330 4.394 -0.064 26059 1608 1 3 . 1 1 32 32 THR C C 32 175.200 175.200 174.285 0.915 26059 1609 1 3 . 1 1 32 32 THR CA C 32 62.780 62.780 62.922 -0.142 26059 1610 1 3 . 1 1 32 32 THR CB C 32 70.350 70.350 69.700 0.650 26059 1611 1 3 . 1 1 32 32 THR H H 32 7.770 7.770 8.913 -1.143 26059 1612 1 3 . 1 1 33 33 HIS N N 33 121.900 121.900 120.373 1.527 26059 1613 1 3 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.426 0.074 26059 1614 1 3 . 1 1 33 33 HIS C C 33 173.880 173.880 173.563 0.317 26059 1615 1 3 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.590 1.190 26059 1616 1 3 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.384 2.256 26059 1617 1 3 . 1 1 33 33 HIS H H 33 9.110 9.110 8.652 0.458 26059 1618 1 3 . 1 1 34 34 ASP N N 34 120.300 120.300 122.336 -2.036 26059 1619 1 3 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.581 -0.181 26059 1620 1 3 . 1 1 34 34 ASP C C 34 175.100 175.100 175.237 -0.137 26059 1621 1 3 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.512 -0.202 26059 1622 1 3 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.281 -0.281 26059 1623 1 3 . 1 1 34 34 ASP H H 34 8.810 8.810 9.025 -0.215 26059 1624 1 3 . 1 1 35 35 TRP N N 35 119.800 119.800 121.207 -1.407 26059 1625 1 3 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.783 -0.053 26059 1626 1 3 . 1 1 35 35 TRP C C 35 174.900 174.900 173.677 1.223 26059 1627 1 3 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.393 0.507 26059 1628 1 3 . 1 1 35 35 TRP CB C 35 34.670 34.670 33.045 1.625 26059 1629 1 3 . 1 1 35 35 TRP H H 35 9.250 9.250 8.880 0.370 26059 1630 1 3 . 1 1 36 36 MET N N 36 120.980 120.980 124.260 -3.280 26059 1631 1 3 . 1 1 36 36 MET HA H 36 5.750 5.750 5.841 -0.091 26059 1632 1 3 . 1 1 36 36 MET C C 36 173.700 173.700 174.855 -1.155 26059 1633 1 3 . 1 1 36 36 MET CA C 36 54.830 54.830 53.814 1.016 26059 1634 1 3 . 1 1 36 36 MET CB C 36 35.220 35.220 35.746 -0.526 26059 1635 1 3 . 1 1 36 36 MET H H 36 9.080 9.080 9.046 0.035 26059 1636 1 3 . 1 1 37 37 VAL N N 37 126.220 126.220 122.591 3.629 26059 1637 1 3 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.167 0.143 26059 1638 1 3 . 1 1 37 37 VAL C C 37 172.300 172.300 174.547 -2.247 26059 1639 1 3 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.892 -1.352 26059 1640 1 3 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.039 2.031 26059 1641 1 3 . 1 1 37 37 VAL H H 37 9.080 9.080 8.974 0.106 26059 1642 1 3 . 1 1 38 38 PHE N N 38 120.640 120.640 119.118 1.522 26059 1643 1 3 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.051 -0.081 26059 1644 1 3 . 1 1 38 38 PHE C C 38 172.960 172.960 173.586 -0.626 26059 1645 1 3 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.387 0.743 26059 1646 1 3 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.604 0.396 26059 1647 1 3 . 1 1 38 38 PHE H H 38 8.320 8.320 8.852 -0.532 26059 1648 1 3 . 1 1 39 39 VAL N N 39 116.500 116.500 117.351 -0.851 26059 1649 1 3 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.831 -0.821 26059 1650 1 3 . 1 1 39 39 VAL C C 39 174.700 174.700 174.854 -0.154 26059 1651 1 3 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.149 1.491 26059 1652 1 3 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.103 0.297 26059 1653 1 3 . 1 1 39 39 VAL H H 39 8.580 8.580 9.013 -0.433 26059 1654 1 3 . 1 1 40 40 ARG N N 40 124.100 124.100 124.063 0.037 26059 1655 1 3 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.184 -0.104 26059 1656 1 3 . 1 1 40 40 ARG C C 40 173.800 173.800 175.787 -1.987 26059 1657 1 3 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.609 0.691 26059 1658 1 3 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.618 -1.038 26059 1659 1 3 . 1 1 40 40 ARG H H 40 9.880 9.880 8.970 0.910 26059 1660 1 3 . 1 1 41 41 GLY N N 41 107.640 107.640 108.301 -0.661 26059 1661 1 3 . 1 1 41 41 GLY CA C 41 43.970 43.970 43.274 0.696 26059 1662 1 3 . 1 1 41 41 GLY H H 41 8.910 8.910 8.031 0.879 26059 1663 1 3 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.434 0.056 26059 1664 1 3 . 1 1 42 42 PRO C C 42 177.300 177.300 176.041 1.259 26059 1665 1 3 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.171 -0.731 26059 1666 1 3 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.220 0.891 26059 1667 1 3 . 1 1 43 43 GLU N N 43 121.050 121.050 123.663 -2.613 26059 1668 1 3 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.944 -0.154 26059 1669 1 3 . 1 1 43 43 GLU C C 43 176.110 176.110 175.938 0.172 26059 1670 1 3 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.506 0.344 26059 1671 1 3 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.383 0.467 26059 1672 1 3 . 1 1 43 43 GLU H H 43 9.060 9.060 8.969 0.091 26059 1673 1 3 . 1 1 44 44 HIS N N 44 114.100 114.100 110.770 3.330 26059 1674 1 3 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.075 0.276 26059 1675 1 3 . 1 1 44 44 HIS C C 44 175.170 175.170 175.168 0.002 26059 1676 1 3 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.008 0.642 26059 1677 1 3 . 1 1 44 44 HIS CB C 44 28.370 28.370 29.136 -0.765 26059 1678 1 3 . 1 1 44 44 HIS H H 44 8.420 8.420 8.867 -0.447 26059 1679 1 3 . 1 1 45 45 SER N N 45 115.540 115.540 115.900 -0.360 26059 1680 1 3 . 1 1 45 45 SER HA H 45 4.560 4.560 4.359 0.201 26059 1681 1 3 . 1 1 45 45 SER C C 45 173.700 173.700 173.844 -0.144 26059 1682 1 3 . 1 1 45 45 SER CA C 45 58.710 58.710 59.733 -1.024 26059 1683 1 3 . 1 1 45 45 SER CB C 45 64.500 64.500 63.865 0.635 26059 1684 1 3 . 1 1 45 45 SER H H 45 7.870 7.870 7.566 0.304 26059 1685 1 3 . 1 1 46 46 ASN N N 46 123.900 123.900 122.676 1.224 26059 1686 1 3 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.687 0.433 26059 1687 1 3 . 1 1 46 46 ASN C C 46 176.300 176.300 175.699 0.601 26059 1688 1 3 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.571 -0.881 26059 1689 1 3 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.486 -0.756 26059 1690 1 3 . 1 1 46 46 ASN H H 46 9.480 9.480 8.863 0.617 26059 1691 1 3 . 1 1 47 47 ILE N N 47 115.240 115.240 119.720 -4.480 26059 1692 1 3 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.159 -0.219 26059 1693 1 3 . 1 1 47 47 ILE C C 47 176.000 176.000 176.677 -0.677 26059 1694 1 3 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.364 1.835 26059 1695 1 3 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.220 -0.520 26059 1696 1 3 . 1 1 47 47 ILE H H 47 8.170 8.170 8.570 -0.400 26059 1697 1 3 . 1 1 48 48 GLN N N 48 123.200 123.200 120.279 2.921 26059 1698 1 3 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.271 0.009 26059 1699 1 3 . 1 1 48 48 GLN C C 48 175.670 175.670 176.794 -1.124 26059 1700 1 3 . 1 1 48 48 GLN CA C 48 57.900 57.900 57.884 0.016 26059 1701 1 3 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.821 -0.831 26059 1702 1 3 . 1 1 48 48 GLN H H 48 8.850 8.850 7.846 1.004 26059 1703 1 3 . 1 1 49 49 HIS N N 49 115.400 115.400 117.093 -1.693 26059 1704 1 3 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.399 0.171 26059 1705 1 3 . 1 1 49 49 HIS C C 49 176.380 176.380 176.535 -0.155 26059 1706 1 3 . 1 1 49 49 HIS CA C 49 58.750 58.750 58.844 -0.094 26059 1707 1 3 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.419 1.202 26059 1708 1 3 . 1 1 49 49 HIS H H 49 7.400 7.400 7.942 -0.542 26059 1709 1 3 . 1 1 50 50 PHE N N 50 109.800 109.800 112.067 -2.267 26059 1710 1 3 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.839 0.391 26059 1711 1 3 . 1 1 50 50 PHE C C 50 173.800 173.800 174.552 -0.752 26059 1712 1 3 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.360 -0.700 26059 1713 1 3 . 1 1 50 50 PHE CB C 50 41.000 41.000 40.335 0.665 26059 1714 1 3 . 1 1 50 50 PHE H H 50 7.570 7.570 7.631 -0.061 26059 1715 1 3 . 1 1 51 51 VAL N N 51 127.810 127.810 121.441 6.369 26059 1716 1 3 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.696 -0.326 26059 1717 1 3 . 1 1 51 51 VAL C C 51 174.500 174.500 175.236 -0.736 26059 1718 1 3 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.636 0.364 26059 1719 1 3 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.655 0.625 26059 1720 1 3 . 1 1 51 51 VAL H H 51 7.810 7.810 8.113 -0.303 26059 1721 1 3 . 1 1 52 52 GLU N N 52 130.700 130.700 129.058 1.642 26059 1722 1 3 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.482 -0.502 26059 1723 1 3 . 1 1 52 52 GLU C C 52 175.400 175.400 175.457 -0.057 26059 1724 1 3 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.233 0.767 26059 1725 1 3 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.835 -0.255 26059 1726 1 3 . 1 1 52 52 GLU H H 52 9.380 9.380 8.847 0.533 26059 1727 1 3 . 1 1 53 53 LYS N N 53 109.200 109.200 117.663 -8.463 26059 1728 1 3 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.796 0.004 26059 1729 1 3 . 1 1 53 53 LYS C C 53 172.300 172.300 174.323 -2.023 26059 1730 1 3 . 1 1 53 53 LYS CA C 53 54.840 54.840 55.212 -0.372 26059 1731 1 3 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.843 -1.593 26059 1732 1 3 . 1 1 53 53 LYS H H 53 7.190 7.190 7.468 -0.278 26059 1733 1 3 . 1 1 54 54 VAL N N 54 120.380 120.380 121.790 -1.410 26059 1734 1 3 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.880 -0.110 26059 1735 1 3 . 1 1 54 54 VAL C C 54 173.600 173.600 173.760 -0.160 26059 1736 1 3 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.190 0.850 26059 1737 1 3 . 1 1 54 54 VAL CB C 54 34.700 34.700 36.110 -1.410 26059 1738 1 3 . 1 1 54 54 VAL H H 54 8.450 8.450 8.481 -0.031 26059 1739 1 3 . 1 1 55 55 VAL N N 55 126.920 126.920 121.468 5.452 26059 1740 1 3 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.243 -0.543 26059 1741 1 3 . 1 1 55 55 VAL C C 55 173.800 173.800 173.478 0.322 26059 1742 1 3 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.474 1.397 26059 1743 1 3 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.968 -1.868 26059 1744 1 3 . 1 1 55 55 VAL H H 55 9.260 9.260 8.481 0.779 26059 1745 1 3 . 1 1 56 56 PHE N N 56 126.130 126.130 126.818 -0.688 26059 1746 1 3 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.883 -0.161 26059 1747 1 3 . 1 1 56 56 PHE C C 56 174.000 174.000 174.849 -0.849 26059 1748 1 3 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.115 0.465 26059 1749 1 3 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.834 0.056 26059 1750 1 3 . 1 1 56 56 PHE H H 56 9.290 9.290 8.921 0.369 26059 1751 1 3 . 1 1 57 57 HIS N N 57 124.180 124.180 125.351 -1.171 26059 1752 1 3 . 1 1 57 57 HIS HA H 57 4.800 4.800 5.166 -0.366 26059 1753 1 3 . 1 1 57 57 HIS C C 57 174.700 174.700 175.293 -0.593 26059 1754 1 3 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.536 -1.216 26059 1755 1 3 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.374 1.726 26059 1756 1 3 . 1 1 57 57 HIS H H 57 8.690 8.690 8.286 0.404 26059 1757 1 3 . 1 1 58 58 LEU N N 58 122.050 122.050 124.931 -2.881 26059 1758 1 3 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.500 -0.190 26059 1759 1 3 . 1 1 58 58 LEU C C 58 174.400 174.400 176.986 -2.586 26059 1760 1 3 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.425 0.985 26059 1761 1 3 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.743 -1.583 26059 1762 1 3 . 1 1 58 58 LEU H H 58 9.050 9.050 8.751 0.299 26059 1763 1 3 . 1 1 59 59 HIS N N 59 118.510 118.510 117.813 0.697 26059 1764 1 3 . 1 1 59 59 HIS C C 59 175.300 175.300 176.673 -1.373 26059 1765 1 3 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.803 3.307 26059 1766 1 3 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.254 -0.324 26059 1767 1 3 . 1 1 59 59 HIS H H 59 5.160 5.160 8.053 -2.893 26059 1768 1 3 . 1 1 60 60 GLU N N 60 122.190 122.190 124.900 -2.710 26059 1769 1 3 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.001 -0.041 26059 1770 1 3 . 1 1 60 60 GLU C C 60 175.130 175.130 177.248 -2.118 26059 1771 1 3 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.552 -0.542 26059 1772 1 3 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.759 0.061 26059 1773 1 3 . 1 1 60 60 GLU H H 60 7.960 7.960 8.289 -0.329 26059 1774 1 3 . 1 1 61 61 SER N N 61 116.940 116.940 113.079 3.861 26059 1775 1 3 . 1 1 61 61 SER HA H 61 4.200 4.200 4.375 -0.175 26059 1776 1 3 . 1 1 61 61 SER CA C 61 60.010 60.010 58.444 1.566 26059 1777 1 3 . 1 1 61 61 SER CB C 61 63.140 63.140 63.286 -0.146 26059 1778 1 3 . 1 1 61 61 SER H H 61 8.540 8.540 8.079 0.461 26059 1779 1 3 . 1 1 62 62 PHE N N 62 123.700 123.700 123.199 0.501 26059 1780 1 3 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.784 -0.194 26059 1781 1 3 . 1 1 62 62 PHE CA C 62 57.400 57.400 55.929 1.471 26059 1782 1 3 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.627 -1.227 26059 1783 1 3 . 1 1 62 62 PHE H H 62 8.640 8.640 8.020 0.620 26059 1784 1 3 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.587 -0.177 26059 1785 1 3 . 1 1 63 63 PRO C C 63 176.400 176.400 176.517 -0.117 26059 1786 1 3 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.240 -0.640 26059 1787 1 3 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.684 -0.824 26059 1788 1 3 . 1 1 64 64 ARG N N 64 116.840 116.840 119.186 -2.346 26059 1789 1 3 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.120 -0.020 26059 1790 1 3 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.105 -0.495 26059 1791 1 3 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.633 0.197 26059 1792 1 3 . 1 1 64 64 ARG H H 64 8.890 8.890 8.920 -0.030 26059 1793 1 3 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.377 -0.387 26059 1794 1 3 . 1 1 65 65 PRO C C 65 175.800 175.800 176.578 -0.778 26059 1795 1 3 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.506 1.304 26059 1796 1 3 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.231 -0.351 26059 1797 1 3 . 1 1 66 66 LYS N N 66 119.035 119.035 119.554 -0.519 26059 1798 1 3 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.551 0.059 26059 1799 1 3 . 1 1 66 66 LYS C C 66 175.400 175.400 175.525 -0.125 26059 1800 1 3 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.067 0.386 26059 1801 1 3 . 1 1 66 66 LYS CB C 66 31.730 31.730 33.457 -1.727 26059 1802 1 3 . 1 1 66 66 LYS H H 66 7.630 7.630 7.888 -0.258 26059 1803 1 3 . 1 1 67 67 ARG N N 67 127.394 127.394 128.134 -0.740 26059 1804 1 3 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.644 0.096 26059 1805 1 3 . 1 1 67 67 ARG C C 67 174.500 174.500 175.289 -0.789 26059 1806 1 3 . 1 1 67 67 ARG CA C 67 52.800 52.800 53.027 -0.227 26059 1807 1 3 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.849 -0.135 26059 1808 1 3 . 1 1 67 67 ARG H H 67 8.855 8.855 8.688 0.167 26059 1809 1 3 . 1 1 68 68 VAL N N 68 124.388 124.388 122.091 2.297 26059 1810 1 3 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.252 -0.671 26059 1811 1 3 . 1 1 68 68 VAL C C 68 176.850 176.850 175.887 0.963 26059 1812 1 3 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.208 1.865 26059 1813 1 3 . 1 1 68 68 VAL CB C 68 33.604 33.604 32.823 0.781 26059 1814 1 3 . 1 1 68 68 VAL H H 68 8.681 8.681 8.268 0.412 26059 1815 1 3 . 1 1 69 69 CYS N N 69 127.080 127.080 128.343 -1.263 26059 1816 1 3 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.865 0.205 26059 1817 1 3 . 1 1 69 69 CYS CA C 69 58.346 58.346 57.414 0.932 26059 1818 1 3 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.781 0.389 26059 1819 1 3 . 1 1 69 69 CYS H H 69 9.455 9.455 9.093 0.362 26059 1820 1 3 . 1 1 70 70 LYS N N 70 125.480 125.480 126.931 -1.451 26059 1821 1 3 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.683 -0.193 26059 1822 1 3 . 1 1 70 70 LYS C C 70 174.300 174.300 176.533 -2.233 26059 1823 1 3 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.335 0.025 26059 1824 1 3 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.435 -0.265 26059 1825 1 3 . 1 1 70 70 LYS H H 70 9.050 9.050 8.530 0.520 26059 1826 1 3 . 1 1 71 71 ASP N N 71 116.940 116.940 120.937 -3.997 26059 1827 1 3 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.799 0.301 26059 1828 1 3 . 1 1 71 71 ASP CA C 71 51.080 51.080 53.126 -2.046 26059 1829 1 3 . 1 1 71 71 ASP CB C 71 43.380 43.380 40.953 2.427 26059 1830 1 3 . 1 1 71 71 ASP H H 71 7.620 7.620 7.970 -0.350 26059 1831 1 3 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.207 -0.947 26059 1832 1 3 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.816 -2.166 26059 1833 1 3 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.492 -0.452 26059 1834 1 3 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.970 0.130 26059 1835 1 3 . 1 1 73 73 PRO C C 73 174.700 174.700 176.407 -1.707 26059 1836 1 3 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.847 -2.157 26059 1837 1 3 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.280 2.760 26059 1838 1 3 . 1 1 74 74 TYR N N 74 125.400 125.400 124.571 0.829 26059 1839 1 3 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.462 0.388 26059 1840 1 3 . 1 1 74 74 TYR C C 74 172.900 172.900 175.470 -2.570 26059 1841 1 3 . 1 1 74 74 TYR CA C 74 55.670 55.670 58.371 -2.701 26059 1842 1 3 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.585 -1.185 26059 1843 1 3 . 1 1 74 74 TYR H H 74 8.960 8.960 8.463 0.497 26059 1844 1 3 . 1 1 75 75 LYS N N 75 121.400 121.400 120.013 1.387 26059 1845 1 3 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.458 0.132 26059 1846 1 3 . 1 1 75 75 LYS C C 75 173.800 173.800 175.046 -1.246 26059 1847 1 3 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.132 0.518 26059 1848 1 3 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.199 -1.309 26059 1849 1 3 . 1 1 75 75 LYS H H 75 7.670 7.670 7.964 -0.294 26059 1850 1 3 . 1 1 76 76 VAL N N 76 119.800 119.800 121.570 -1.770 26059 1851 1 3 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.266 -0.376 26059 1852 1 3 . 1 1 76 76 VAL C C 76 173.900 173.900 174.335 -0.435 26059 1853 1 3 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.644 1.086 26059 1854 1 3 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.013 0.527 26059 1855 1 3 . 1 1 76 76 VAL H H 76 8.180 8.180 8.554 -0.374 26059 1856 1 3 . 1 1 77 77 GLU N N 77 126.190 126.190 126.791 -0.601 26059 1857 1 3 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.054 -0.104 26059 1858 1 3 . 1 1 77 77 GLU C C 77 174.700 174.700 175.386 -0.686 26059 1859 1 3 . 1 1 77 77 GLU CA C 77 54.940 54.940 55.077 -0.137 26059 1860 1 3 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.596 -0.047 26059 1861 1 3 . 1 1 77 77 GLU H H 77 8.270 8.270 8.751 -0.481 26059 1862 1 3 . 1 1 78 78 GLU N N 78 126.180 126.180 124.454 1.726 26059 1863 1 3 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.625 -0.175 26059 1864 1 3 . 1 1 78 78 GLU C C 78 175.400 175.400 173.584 1.816 26059 1865 1 3 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.225 -0.225 26059 1866 1 3 . 1 1 78 78 GLU CB C 78 37.100 37.100 34.210 2.890 26059 1867 1 3 . 1 1 78 78 GLU H H 78 7.870 7.870 8.107 -0.237 26059 1868 1 3 . 1 1 79 79 SER N N 79 112.109 112.109 115.088 -2.979 26059 1869 1 3 . 1 1 79 79 SER HA H 79 5.560 5.560 5.664 -0.104 26059 1870 1 3 . 1 1 79 79 SER C C 79 172.490 172.490 173.666 -1.176 26059 1871 1 3 . 1 1 79 79 SER CA C 79 57.754 57.754 56.339 1.415 26059 1872 1 3 . 1 1 79 79 SER CB C 79 65.861 65.861 65.676 0.185 26059 1873 1 3 . 1 1 79 79 SER H H 79 7.714 7.714 8.555 -0.841 26059 1874 1 3 . 1 1 80 80 GLY N N 80 106.048 106.048 110.801 -4.753 26059 1875 1 3 . 1 1 80 80 GLY C C 80 172.630 172.630 171.976 0.654 26059 1876 1 3 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.528 0.172 26059 1877 1 3 . 1 1 80 80 GLY H H 80 8.828 8.828 8.900 -0.072 26059 1878 1 3 . 1 1 81 81 TYR N N 81 115.280 115.280 115.925 -0.645 26059 1879 1 3 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.289 0.391 26059 1880 1 3 . 1 1 81 81 TYR C C 81 174.100 174.100 173.991 0.109 26059 1881 1 3 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.514 -2.014 26059 1882 1 3 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.755 0.245 26059 1883 1 3 . 1 1 81 81 TYR H H 81 8.770 8.770 8.042 0.728 26059 1884 1 3 . 1 1 82 82 ALA N N 82 122.350 122.350 122.957 -0.607 26059 1885 1 3 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.517 -0.077 26059 1886 1 3 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.378 -0.338 26059 1887 1 3 . 1 1 82 82 ALA CB C 82 22.400 22.400 21.017 1.383 26059 1888 1 3 . 1 1 82 82 ALA H H 82 7.160 7.160 7.083 0.077 26059 1889 1 3 . 1 1 83 83 GLY N N 83 107.100 107.100 108.732 -1.632 26059 1890 1 3 . 1 1 83 83 GLY C C 83 172.500 172.500 173.533 -1.033 26059 1891 1 3 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.678 -0.068 26059 1892 1 3 . 1 1 83 83 GLY H H 83 8.220 8.220 8.298 -0.078 26059 1893 1 3 . 1 1 84 84 PHE N N 84 111.660 111.660 116.663 -5.003 26059 1894 1 3 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.549 0.141 26059 1895 1 3 . 1 1 84 84 PHE C C 84 172.460 172.460 173.124 -0.664 26059 1896 1 3 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.768 0.732 26059 1897 1 3 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.839 -1.258 26059 1898 1 3 . 1 1 84 84 PHE H H 84 7.700 7.700 8.139 -0.439 26059 1899 1 3 . 1 1 85 85 ILE N N 85 117.810 117.810 121.291 -3.481 26059 1900 1 3 . 1 1 85 85 ILE HA H 85 4.310 4.310 3.886 0.424 26059 1901 1 3 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.752 -1.412 26059 1902 1 3 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.864 -1.604 26059 1903 1 3 . 1 1 85 85 ILE H H 85 8.340 8.340 8.280 0.060 26059 1904 1 3 . 1 1 86 86 LEU N N 86 108.130 108.130 129.214 -21.084 26059 1905 1 3 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.961 0.019 26059 1906 1 3 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.647 2.553 26059 1907 1 3 . 1 1 86 86 LEU CB C 86 45.300 45.300 44.775 0.525 26059 1908 1 3 . 1 1 86 86 LEU H H 86 9.900 9.900 8.629 1.271 26059 1909 1 3 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.687 0.413 26059 1910 1 3 . 1 1 87 87 PRO C C 87 175.340 175.340 175.953 -0.613 26059 1911 1 3 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.092 0.018 26059 1912 1 3 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.224 0.336 26059 1913 1 3 . 1 1 88 88 ILE N N 88 126.000 126.000 126.870 -0.870 26059 1914 1 3 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.537 0.253 26059 1915 1 3 . 1 1 88 88 ILE C C 88 176.100 176.100 174.847 1.253 26059 1916 1 3 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.242 0.319 26059 1917 1 3 . 1 1 88 88 ILE CB C 88 42.000 42.000 40.094 1.906 26059 1918 1 3 . 1 1 88 88 ILE H H 88 9.380 9.380 9.094 0.286 26059 1919 1 3 . 1 1 89 89 GLU N N 89 123.900 123.900 127.575 -3.675 26059 1920 1 3 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.054 0.146 26059 1921 1 3 . 1 1 89 89 GLU C C 89 173.800 173.800 175.320 -1.520 26059 1922 1 3 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.411 -0.441 26059 1923 1 3 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.999 2.381 26059 1924 1 3 . 1 1 89 89 GLU H H 89 9.320 9.320 8.459 0.861 26059 1925 1 3 . 1 1 90 90 VAL N N 90 123.980 123.980 124.456 -0.476 26059 1926 1 3 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.912 0.248 26059 1927 1 3 . 1 1 90 90 VAL C C 90 174.800 174.800 174.470 0.330 26059 1928 1 3 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.803 -0.413 26059 1929 1 3 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.761 -0.271 26059 1930 1 3 . 1 1 90 90 VAL H H 90 8.630 8.630 7.932 0.698 26059 1931 1 3 . 1 1 91 91 TYR N N 91 124.230 124.230 126.364 -2.134 26059 1932 1 3 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.779 -0.119 26059 1933 1 3 . 1 1 91 91 TYR C C 91 176.800 176.800 175.677 1.123 26059 1934 1 3 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.398 -0.698 26059 1935 1 3 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.579 0.661 26059 1936 1 3 . 1 1 91 91 TYR H H 91 8.640 8.640 9.014 -0.374 26059 1937 1 3 . 1 1 92 92 PHE N N 92 121.200 121.200 121.455 -0.255 26059 1938 1 3 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.442 0.218 26059 1939 1 3 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.269 1.241 26059 1940 1 3 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.527 -0.527 26059 1941 1 3 . 1 1 92 92 PHE H H 92 8.750 8.750 8.884 -0.134 26059 1942 1 3 . 1 1 93 93 LYS N N 93 123.450 123.450 123.123 0.327 26059 1943 1 3 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.695 -0.095 26059 1944 1 3 . 1 1 93 93 LYS C C 93 174.200 174.200 174.829 -0.629 26059 1945 1 3 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.275 -0.095 26059 1946 1 3 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.868 -0.188 26059 1947 1 3 . 1 1 93 93 LYS H H 93 8.560 8.560 8.759 -0.199 26059 1948 1 3 . 1 1 94 94 ASN N N 94 118.800 118.800 121.538 -2.738 26059 1949 1 3 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.823 -0.383 26059 1950 1 3 . 1 1 94 94 ASN CA C 94 51.210 51.210 53.221 -2.011 26059 1951 1 3 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.562 -1.762 26059 1952 1 3 . 1 1 94 94 ASN H H 94 7.820 7.820 8.267 -0.447 26059 1953 1 3 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.410 -0.080 26059 1954 1 3 . 1 1 95 95 LYS C C 95 175.800 175.800 175.951 -0.151 26059 1955 1 3 . 1 1 95 95 LYS CA C 95 56.210 56.210 57.380 -1.170 26059 1956 1 3 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.802 0.208 26059 1957 1 3 . 1 1 96 96 GLU N N 96 118.330 118.330 119.691 -1.361 26059 1958 1 3 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.333 0.177 26059 1959 1 3 . 1 1 96 96 GLU C C 96 173.200 173.200 175.785 -2.585 26059 1960 1 3 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.302 -0.202 26059 1961 1 3 . 1 1 96 96 GLU CB C 96 31.470 31.470 29.735 1.735 26059 1962 1 3 . 1 1 96 96 GLU H H 96 7.120 7.120 7.546 -0.426 26059 1963 1 3 . 1 1 97 97 GLU N N 97 115.630 115.630 120.683 -5.053 26059 1964 1 3 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.166 0.264 26059 1965 1 3 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.120 -1.260 26059 1966 1 3 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.387 0.883 26059 1967 1 3 . 1 1 97 97 GLU H H 97 8.060 8.060 8.259 -0.199 26059 1968 1 3 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.220 0.780 26059 1969 1 3 . 1 1 98 98 PRO C C 98 175.900 175.900 176.817 -0.917 26059 1970 1 3 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.343 -2.183 26059 1971 1 3 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.785 2.215 26059 1972 1 3 . 1 1 99 99 ARG N N 99 122.800 122.800 120.790 2.010 26059 1973 1 3 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.405 0.225 26059 1974 1 3 . 1 1 99 99 ARG C C 99 175.800 175.800 175.567 0.233 26059 1975 1 3 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.861 0.339 26059 1976 1 3 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.351 0.059 26059 1977 1 3 . 1 1 99 99 ARG H H 99 8.602 8.602 8.687 -0.084 26059 1978 1 3 . 1 1 100 100 LYS N N 100 113.220 113.220 115.983 -2.763 26059 1979 1 3 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.784 0.156 26059 1980 1 3 . 1 1 100 100 LYS C C 100 174.100 174.100 174.545 -0.445 26059 1981 1 3 . 1 1 100 100 LYS CA C 100 53.391 53.391 54.002 -0.611 26059 1982 1 3 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.446 -0.726 26059 1983 1 3 . 1 1 100 100 LYS H H 100 7.650 7.650 7.262 0.388 26059 1984 1 3 . 1 1 101 101 VAL N N 101 116.230 116.230 117.982 -1.752 26059 1985 1 3 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.346 -0.075 26059 1986 1 3 . 1 1 101 101 VAL C C 101 171.600 171.600 173.549 -1.949 26059 1987 1 3 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.154 1.106 26059 1988 1 3 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.325 -0.145 26059 1989 1 3 . 1 1 101 101 VAL H H 101 8.120 8.120 8.294 -0.174 26059 1990 1 3 . 1 1 102 102 ARG N N 102 124.980 124.980 123.695 1.285 26059 1991 1 3 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.690 0.470 26059 1992 1 3 . 1 1 102 102 ARG C C 102 174.340 174.340 174.776 -0.436 26059 1993 1 3 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.710 -0.960 26059 1994 1 3 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.289 2.061 26059 1995 1 3 . 1 1 102 102 ARG H H 102 7.930 7.930 8.058 -0.128 26059 1996 1 3 . 1 1 103 103 PHE N N 103 124.590 124.590 125.754 -1.164 26059 1997 1 3 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.678 0.114 26059 1998 1 3 . 1 1 103 103 PHE C C 103 174.280 174.280 174.719 -0.439 26059 1999 1 3 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.598 0.882 26059 2000 1 3 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.664 1.586 26059 2001 1 3 . 1 1 103 103 PHE H H 103 9.390 9.390 9.106 0.284 26059 2002 1 3 . 1 1 104 104 ASP N N 104 124.700 124.700 124.738 -0.038 26059 2003 1 3 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.626 0.173 26059 2004 1 3 . 1 1 104 104 ASP C C 104 174.500 174.500 174.649 -0.149 26059 2005 1 3 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.493 0.897 26059 2006 1 3 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.136 0.094 26059 2007 1 3 . 1 1 104 104 ASP H H 104 9.010 9.010 9.006 0.004 26059 2008 1 3 . 1 1 105 105 TYR N N 105 129.840 129.840 124.803 5.037 26059 2009 1 3 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.669 -0.599 26059 2010 1 3 . 1 1 105 105 TYR C C 105 173.100 173.100 173.241 -0.141 26059 2011 1 3 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.829 1.851 26059 2012 1 3 . 1 1 105 105 TYR CB C 105 41.850 41.850 41.949 -0.099 26059 2013 1 3 . 1 1 105 105 TYR H H 105 8.140 8.140 8.316 -0.176 26059 2014 1 3 . 1 1 106 106 ASP N N 106 126.800 126.800 127.226 -0.426 26059 2015 1 3 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.363 -0.143 26059 2016 1 3 . 1 1 106 106 ASP C C 106 172.900 172.900 174.646 -1.746 26059 2017 1 3 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.748 -0.238 26059 2018 1 3 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.362 -1.862 26059 2019 1 3 . 1 1 106 106 ASP H H 106 7.730 7.730 8.504 -0.774 26059 2020 1 3 . 1 1 107 107 LEU N N 107 132.150 132.150 128.761 3.389 26059 2021 1 3 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.595 -0.755 26059 2022 1 3 . 1 1 107 107 LEU C C 107 172.100 172.100 174.822 -2.722 26059 2023 1 3 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.440 -0.240 26059 2024 1 3 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.799 -1.559 26059 2025 1 3 . 1 1 107 107 LEU H H 107 7.770 7.770 7.739 0.031 26059 2026 1 3 . 1 1 108 108 PHE N N 108 118.960 118.960 121.512 -2.552 26059 2027 1 3 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.759 -0.069 26059 2028 1 3 . 1 1 108 108 PHE C C 108 174.300 174.300 173.726 0.574 26059 2029 1 3 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.872 -1.182 26059 2030 1 3 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.390 -0.100 26059 2031 1 3 . 1 1 108 108 PHE H H 108 6.060 6.060 7.622 -1.562 26059 2032 1 3 . 1 1 109 109 LEU N N 109 118.900 118.900 120.454 -1.554 26059 2033 1 3 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.670 -0.270 26059 2034 1 3 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.267 -1.107 26059 2035 1 3 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.668 -2.588 26059 2036 1 3 . 1 1 109 109 LEU H H 109 8.388 8.388 8.159 0.229 26059 2037 1 3 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.334 0.106 26059 2038 1 3 . 1 1 111 111 LEU C C 111 177.300 177.300 177.519 -0.219 26059 2039 1 3 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.210 -0.990 26059 2040 1 3 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.819 1.051 26059 2041 1 3 . 1 1 112 112 GLU N N 112 120.660 120.660 121.418 -0.758 26059 2042 1 3 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.042 0.128 26059 2043 1 3 . 1 1 112 112 GLU CA C 112 58.460 58.460 57.767 0.693 26059 2044 1 3 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.093 0.097 26059 2045 1 3 . 1 1 112 112 GLU H H 112 8.780 8.780 8.792 -0.012 26059 2046 1 3 . 1 1 113 113 GLY C C 113 173.900 173.900 173.827 0.073 26059 2047 1 3 . 1 1 113 113 GLY CA C 113 44.950 44.950 45.001 -0.051 26059 2048 1 3 . 1 1 114 114 HIS N N 114 120.890 120.890 119.483 1.407 26059 2049 1 3 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.990 -0.084 26059 2050 1 3 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.989 0.782 26059 2051 1 3 . 1 1 114 114 HIS CB C 114 30.590 30.590 32.335 -1.745 26059 2052 1 3 . 1 1 114 114 HIS H H 114 7.934 7.934 8.169 -0.235 26059 2053 1 3 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.091 0.709 26059 2054 1 3 . 1 1 115 115 PRO CA C 115 62.090 62.090 62.984 -0.894 26059 2055 1 3 . 1 1 115 115 PRO CB C 115 30.680 30.680 30.732 -0.052 26059 2056 1 3 . 1 1 116 116 PRO HA H 116 4.210 4.210 2.786 1.424 26059 2057 1 3 . 1 1 116 116 PRO C C 116 176.600 176.600 176.175 0.425 26059 2058 1 3 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.248 0.052 26059 2059 1 3 . 1 1 117 117 VAL N N 117 127.480 127.480 119.646 7.834 26059 2060 1 3 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.254 -0.464 26059 2061 1 3 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.750 0.950 26059 2062 1 3 . 1 1 117 117 VAL CB C 117 33.200 33.200 34.324 -1.124 26059 2063 1 3 . 1 1 117 117 VAL H H 117 8.890 8.890 8.074 0.816 26059 2064 1 3 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.159 -0.169 26059 2065 1 3 . 1 1 118 118 ASN C C 118 172.700 172.700 173.691 -0.991 26059 2066 1 3 . 1 1 118 118 ASN CA C 118 53.360 53.360 53.029 0.331 26059 2067 1 3 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.032 -0.832 26059 2068 1 3 . 1 1 119 119 HIS N N 119 124.930 124.930 125.632 -0.702 26059 2069 1 3 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.075 -0.255 26059 2070 1 3 . 1 1 119 119 HIS C C 119 173.500 173.500 173.248 0.252 26059 2071 1 3 . 1 1 119 119 HIS CA C 119 56.970 56.970 54.824 2.146 26059 2072 1 3 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.346 0.924 26059 2073 1 3 . 1 1 119 119 HIS H H 119 8.790 8.790 8.542 0.248 26059 2074 1 3 . 1 1 120 120 LEU N N 120 128.280 128.280 125.105 3.175 26059 2075 1 3 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.530 0.420 26059 2076 1 3 . 1 1 120 120 LEU C C 120 174.030 174.030 175.688 -1.658 26059 2077 1 3 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.712 0.288 26059 2078 1 3 . 1 1 120 120 LEU CB C 120 46.600 46.600 44.485 2.115 26059 2079 1 3 . 1 1 120 120 LEU H H 120 7.460 7.460 8.679 -1.219 26059 2080 1 3 . 1 1 121 121 ARG N N 121 128.060 128.060 122.301 5.759 26059 2081 1 3 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.488 0.152 26059 2082 1 3 . 1 1 121 121 ARG C C 121 173.400 173.400 173.598 -0.198 26059 2083 1 3 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.927 -0.567 26059 2084 1 3 . 1 1 121 121 ARG CB C 121 34.260 34.260 33.586 0.674 26059 2085 1 3 . 1 1 121 121 ARG H H 121 9.860 9.860 8.292 1.568 26059 2086 1 3 . 1 1 122 122 CYS N N 122 125.290 125.290 125.171 0.119 26059 2087 1 3 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.119 -0.099 26059 2088 1 3 . 1 1 122 122 CYS C C 122 174.600 174.600 174.345 0.255 26059 2089 1 3 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.349 0.942 26059 2090 1 3 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.517 -1.487 26059 2091 1 3 . 1 1 122 122 CYS H H 122 8.835 8.835 8.766 0.069 26059 2092 1 3 . 1 1 123 123 GLU N N 123 125.920 125.920 125.071 0.849 26059 2093 1 3 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.537 0.143 26059 2094 1 3 . 1 1 123 123 GLU C C 123 174.500 174.500 174.558 -0.058 26059 2095 1 3 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.703 -0.283 26059 2096 1 3 . 1 1 123 123 GLU CB C 123 32.583 32.583 31.949 0.634 26059 2097 1 3 . 1 1 123 123 GLU H H 123 8.970 8.970 8.997 -0.027 26059 2098 1 3 . 1 1 124 124 LYS N N 124 121.837 121.837 122.523 -0.686 26059 2099 1 3 . 1 1 124 124 LYS HA H 124 4.960 4.960 5.098 -0.138 26059 2100 1 3 . 1 1 124 124 LYS C C 124 175.700 175.700 176.003 -0.303 26059 2101 1 3 . 1 1 124 124 LYS CA C 124 55.357 55.357 54.963 0.394 26059 2102 1 3 . 1 1 124 124 LYS CB C 124 34.189 34.189 34.605 -0.416 26059 2103 1 3 . 1 1 124 124 LYS H H 124 8.652 8.652 8.356 0.296 26059 2104 1 3 . 1 1 125 125 LEU N N 125 127.000 127.000 129.814 -2.814 26059 2105 1 3 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.564 0.086 26059 2106 1 3 . 1 1 125 125 LEU C C 125 175.110 175.110 175.312 -0.202 26059 2107 1 3 . 1 1 125 125 LEU CA C 125 53.854 53.854 54.131 -0.277 26059 2108 1 3 . 1 1 125 125 LEU CB C 125 44.267 44.267 43.022 1.245 26059 2109 1 3 . 1 1 125 125 LEU H H 125 9.175 9.175 9.216 -0.041 26059 2110 1 3 . 1 1 126 126 THR N N 126 117.779 117.779 120.092 -2.313 26059 2111 1 3 . 1 1 126 126 THR HA H 126 4.650 4.650 4.588 0.062 26059 2112 1 3 . 1 1 126 126 THR C C 126 173.200 173.200 173.514 -0.314 26059 2113 1 3 . 1 1 126 126 THR CA C 126 62.036 62.036 61.712 0.324 26059 2114 1 3 . 1 1 126 126 THR CB C 126 70.284 70.284 69.742 0.542 26059 2115 1 3 . 1 1 126 126 THR H H 126 8.331 8.331 8.370 -0.039 26059 2116 1 3 . 1 1 127 127 PHE N N 127 126.576 126.576 126.995 -0.419 26059 2117 1 3 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.752 -0.162 26059 2118 1 3 . 1 1 127 127 PHE C C 127 174.860 174.860 174.196 0.664 26059 2119 1 3 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.609 1.255 26059 2120 1 3 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.163 -1.163 26059 2121 1 3 . 1 1 127 127 PHE H H 127 9.051 9.051 9.130 -0.079 26059 2122 1 3 . 1 1 128 128 ASN N N 128 123.040 123.040 122.019 1.021 26059 2123 1 3 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.750 -0.130 26059 2124 1 3 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.288 1.192 26059 2125 1 3 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.854 0.606 26059 2126 1 3 . 1 1 128 128 ASN H H 128 8.880 8.880 8.854 0.026 26059 2127 1 3 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.612 0.148 26059 2128 1 3 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.720 -0.820 26059 2129 1 3 . 1 1 129 129 ASN CB C 129 38.730 38.730 37.296 1.434 26059 2130 1 3 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.712 0.078 26059 2131 1 3 . 1 1 130 130 PRO C C 130 177.470 177.470 175.944 1.526 26059 2132 1 3 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.294 0.280 26059 2133 1 3 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.989 -0.678 26059 2134 1 3 . 1 1 131 131 THR N N 131 113.400 113.400 111.728 1.672 26059 2135 1 3 . 1 1 131 131 THR HA H 131 4.300 4.300 4.342 -0.042 26059 2136 1 3 . 1 1 131 131 THR C C 131 175.200 175.200 176.012 -0.812 26059 2137 1 3 . 1 1 131 131 THR CA C 131 62.200 62.200 61.018 1.182 26059 2138 1 3 . 1 1 131 131 THR CB C 131 70.600 70.600 70.089 0.511 26059 2139 1 3 . 1 1 131 131 THR H H 131 8.950 8.950 8.056 0.894 26059 2140 1 3 . 1 1 132 132 GLU N N 132 122.199 122.199 124.443 -2.244 26059 2141 1 3 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.932 0.078 26059 2142 1 3 . 1 1 132 132 GLU C C 132 178.700 178.700 177.919 0.781 26059 2143 1 3 . 1 1 132 132 GLU CA C 132 60.294 60.294 59.981 0.313 26059 2144 1 3 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.654 -0.493 26059 2145 1 3 . 1 1 132 132 GLU H H 132 8.932 8.932 9.121 -0.189 26059 2146 1 3 . 1 1 133 133 ASP N N 133 116.324 116.324 118.194 -1.870 26059 2147 1 3 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.420 -0.090 26059 2148 1 3 . 1 1 133 133 ASP C C 133 177.800 177.800 178.191 -0.391 26059 2149 1 3 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.742 0.618 26059 2150 1 3 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.815 2.008 26059 2151 1 3 . 1 1 133 133 ASP H H 133 8.490 8.490 8.770 -0.280 26059 2152 1 3 . 1 1 134 134 PHE N N 134 119.914 119.914 122.439 -2.525 26059 2153 1 3 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.269 0.341 26059 2154 1 3 . 1 1 134 134 PHE C C 134 177.300 177.300 177.112 0.188 26059 2155 1 3 . 1 1 134 134 PHE CA C 134 59.538 59.538 59.983 -0.445 26059 2156 1 3 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.397 -0.197 26059 2157 1 3 . 1 1 134 134 PHE H H 134 7.787 7.787 7.767 0.020 26059 2158 1 3 . 1 1 135 135 ARG N N 135 119.794 119.794 120.375 -0.581 26059 2159 1 3 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.748 -0.398 26059 2160 1 3 . 1 1 135 135 ARG C C 135 177.370 177.370 178.107 -0.737 26059 2161 1 3 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.002 0.374 26059 2162 1 3 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.038 0.358 26059 2163 1 3 . 1 1 135 135 ARG H H 135 9.087 9.087 8.368 0.719 26059 2164 1 3 . 1 1 136 136 ARG N N 136 114.554 114.554 118.761 -4.207 26059 2165 1 3 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.972 -0.152 26059 2166 1 3 . 1 1 136 136 ARG C C 136 178.950 178.950 178.554 0.396 26059 2167 1 3 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.581 -0.281 26059 2168 1 3 . 1 1 136 136 ARG CB C 136 30.217 30.217 29.997 0.220 26059 2169 1 3 . 1 1 136 136 ARG H H 136 7.747 7.747 8.282 -0.535 26059 2170 1 3 . 1 1 137 137 LYS N N 137 118.298 118.298 118.913 -0.615 26059 2171 1 3 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.025 -0.125 26059 2172 1 3 . 1 1 137 137 LYS C C 137 177.980 177.980 178.909 -0.929 26059 2173 1 3 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.443 0.952 26059 2174 1 3 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.273 0.173 26059 2175 1 3 . 1 1 137 137 LYS H H 137 7.154 7.154 7.416 -0.262 26059 2176 1 3 . 1 1 138 138 LEU N N 138 117.159 117.159 119.000 -1.841 26059 2177 1 3 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.793 -0.373 26059 2178 1 3 . 1 1 138 138 LEU C C 138 179.100 179.100 178.526 0.574 26059 2179 1 3 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.176 0.055 26059 2180 1 3 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.580 0.748 26059 2181 1 3 . 1 1 138 138 LEU H H 138 7.709 7.709 7.629 0.080 26059 2182 1 3 . 1 1 139 139 LEU N N 139 115.158 115.158 116.525 -1.367 26059 2183 1 3 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.133 0.017 26059 2184 1 3 . 1 1 139 139 LEU C C 139 177.600 177.600 178.577 -0.977 26059 2185 1 3 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.601 -1.072 26059 2186 1 3 . 1 1 139 139 LEU CB C 139 41.744 41.744 42.037 -0.293 26059 2187 1 3 . 1 1 139 139 LEU H H 139 7.507 7.507 8.089 -0.582 26059 2188 1 3 . 1 1 140 140 LYS N N 140 120.256 120.256 119.220 1.036 26059 2189 1 3 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.063 0.047 26059 2190 1 3 . 1 1 140 140 LYS C C 140 175.800 175.800 177.104 -1.304 26059 2191 1 3 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.149 -0.097 26059 2192 1 3 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.785 -0.139 26059 2193 1 3 . 1 1 140 140 LYS H H 140 7.304 7.304 7.748 -0.444 26059 2194 1 4 . 1 1 4 4 MET C C 4 175.800 175.800 176.167 -0.367 26059 2195 1 4 . 1 1 4 4 MET CA C 4 55.350 55.350 56.718 -1.368 26059 2196 1 4 . 1 1 4 4 MET CB C 4 32.880 32.880 32.334 0.547 26059 2197 1 4 . 1 1 5 5 ALA N N 5 125.230 125.230 120.604 4.626 26059 2198 1 4 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.398 -0.048 26059 2199 1 4 . 1 1 5 5 ALA CA C 5 52.430 52.430 51.942 0.488 26059 2200 1 4 . 1 1 5 5 ALA CB C 5 19.370 19.370 18.942 0.428 26059 2201 1 4 . 1 1 5 5 ALA H H 5 8.320 8.320 8.003 0.317 26059 2202 1 4 . 1 1 6 6 SER HA H 6 4.490 4.490 4.516 -0.026 26059 2203 1 4 . 1 1 6 6 SER CA C 6 58.200 58.200 57.019 1.181 26059 2204 1 4 . 1 1 6 6 SER CB C 6 63.700 63.700 62.866 0.834 26059 2205 1 4 . 1 1 7 7 SER HA H 7 4.530 4.530 4.806 -0.276 26059 2206 1 4 . 1 1 7 7 SER CA C 7 58.200 58.200 57.938 0.262 26059 2207 1 4 . 1 1 7 7 SER CB C 7 63.700 63.700 63.113 0.587 26059 2208 1 4 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.528 0.082 26059 2209 1 4 . 1 1 8 8 CYS C C 8 173.500 173.500 173.695 -0.195 26059 2210 1 4 . 1 1 8 8 CYS CA C 8 58.340 58.340 57.564 0.776 26059 2211 1 4 . 1 1 8 8 CYS CB C 8 28.490 28.490 26.252 2.238 26059 2212 1 4 . 1 1 9 9 ALA N N 9 124.700 124.700 128.700 -4.000 26059 2213 1 4 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.168 -0.378 26059 2214 1 4 . 1 1 9 9 ALA C C 9 177.400 177.400 176.459 0.941 26059 2215 1 4 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.690 1.380 26059 2216 1 4 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.815 -0.186 26059 2217 1 4 . 1 1 9 9 ALA H H 9 7.960 7.960 8.459 -0.499 26059 2218 1 4 . 1 1 10 10 VAL N N 10 120.124 120.124 122.113 -1.989 26059 2219 1 4 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.315 -0.025 26059 2220 1 4 . 1 1 10 10 VAL C C 10 173.900 173.900 174.855 -0.955 26059 2221 1 4 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.008 0.542 26059 2222 1 4 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.679 1.221 26059 2223 1 4 . 1 1 10 10 VAL H H 10 8.424 8.424 8.751 -0.327 26059 2224 1 4 . 1 1 11 11 GLN N N 11 125.818 125.818 124.362 1.456 26059 2225 1 4 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.327 0.233 26059 2226 1 4 . 1 1 11 11 GLN C C 11 175.400 175.400 175.463 -0.063 26059 2227 1 4 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.317 -0.194 26059 2228 1 4 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.641 1.388 26059 2229 1 4 . 1 1 11 11 GLN H H 11 8.636 8.636 8.436 0.200 26059 2230 1 4 . 1 1 12 12 VAL N N 12 119.106 119.106 118.107 0.999 26059 2231 1 4 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.370 0.260 26059 2232 1 4 . 1 1 12 12 VAL C C 12 173.800 173.800 174.590 -0.790 26059 2233 1 4 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.641 0.159 26059 2234 1 4 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.706 2.005 26059 2235 1 4 . 1 1 12 12 VAL H H 12 8.827 8.827 8.679 0.148 26059 2236 1 4 . 1 1 13 13 LYS N N 13 121.700 121.700 120.942 0.758 26059 2237 1 4 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.368 -0.168 26059 2238 1 4 . 1 1 13 13 LYS C C 13 175.030 175.030 175.406 -0.376 26059 2239 1 4 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.321 0.109 26059 2240 1 4 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.647 0.273 26059 2241 1 4 . 1 1 13 13 LYS H H 13 8.234 8.234 8.364 -0.130 26059 2242 1 4 . 1 1 14 14 LEU N N 14 119.100 119.100 123.222 -4.122 26059 2243 1 4 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.272 -0.322 26059 2244 1 4 . 1 1 14 14 LEU C C 14 175.110 175.110 175.490 -0.380 26059 2245 1 4 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.222 0.135 26059 2246 1 4 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.792 1.129 26059 2247 1 4 . 1 1 14 14 LEU H H 14 8.840 8.840 9.174 -0.334 26059 2248 1 4 . 1 1 15 15 GLU N N 15 120.978 120.978 123.605 -2.627 26059 2249 1 4 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.248 -0.258 26059 2250 1 4 . 1 1 15 15 GLU C C 15 173.800 173.800 174.876 -1.076 26059 2251 1 4 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.381 1.047 26059 2252 1 4 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.306 -0.480 26059 2253 1 4 . 1 1 15 15 GLU H H 15 9.181 9.181 9.140 0.041 26059 2254 1 4 . 1 1 16 16 LEU N N 16 124.438 124.438 127.657 -3.219 26059 2255 1 4 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.202 -0.092 26059 2256 1 4 . 1 1 16 16 LEU C C 16 174.700 174.700 176.160 -1.460 26059 2257 1 4 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.905 0.171 26059 2258 1 4 . 1 1 16 16 LEU CB C 16 44.892 44.892 40.988 3.904 26059 2259 1 4 . 1 1 16 16 LEU H H 16 8.891 8.891 8.248 0.643 26059 2260 1 4 . 1 1 17 17 GLY N N 17 108.067 108.067 111.042 -2.975 26059 2261 1 4 . 1 1 17 17 GLY C C 17 170.350 170.350 171.745 -1.395 26059 2262 1 4 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.691 2.293 26059 2263 1 4 . 1 1 17 17 GLY H H 17 7.227 7.227 8.969 -1.742 26059 2264 1 4 . 1 1 18 18 HIS N N 18 111.200 111.200 116.414 -5.214 26059 2265 1 4 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.036 0.584 26059 2266 1 4 . 1 1 18 18 HIS C C 18 172.400 172.400 172.531 -0.131 26059 2267 1 4 . 1 1 18 18 HIS CA C 18 54.940 54.940 55.023 -0.083 26059 2268 1 4 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.333 1.827 26059 2269 1 4 . 1 1 18 18 HIS H H 18 8.150 8.150 8.638 -0.488 26059 2270 1 4 . 1 1 19 19 ARG N N 19 117.800 117.800 120.577 -2.777 26059 2271 1 4 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.239 -0.139 26059 2272 1 4 . 1 1 19 19 ARG C C 19 175.800 175.800 174.429 1.371 26059 2273 1 4 . 1 1 19 19 ARG CA C 19 53.500 53.500 53.998 -0.498 26059 2274 1 4 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.801 -0.151 26059 2275 1 4 . 1 1 19 19 ARG H H 19 9.010 9.010 8.636 0.374 26059 2276 1 4 . 1 1 20 20 ALA N N 20 120.390 120.390 123.292 -2.902 26059 2277 1 4 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.317 0.223 26059 2278 1 4 . 1 1 20 20 ALA C C 20 175.800 175.800 174.977 0.823 26059 2279 1 4 . 1 1 20 20 ALA CA C 20 51.590 51.590 51.028 0.562 26059 2280 1 4 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.839 0.911 26059 2281 1 4 . 1 1 20 20 ALA H H 20 8.070 8.070 8.652 -0.582 26059 2282 1 4 . 1 1 21 21 GLN N N 21 121.790 121.790 121.677 0.113 26059 2283 1 4 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.062 0.168 26059 2284 1 4 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.643 0.687 26059 2285 1 4 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.900 0.000 26059 2286 1 4 . 1 1 21 21 GLN H H 21 9.240 9.240 8.605 0.635 26059 2287 1 4 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.401 -0.771 26059 2288 1 4 . 1 1 22 22 VAL C C 22 176.500 176.500 175.455 1.045 26059 2289 1 4 . 1 1 22 22 VAL CA C 22 63.030 63.030 59.904 3.126 26059 2290 1 4 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.105 -2.505 26059 2291 1 4 . 1 1 23 23 ARG N N 23 127.840 127.840 124.402 3.438 26059 2292 1 4 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.597 -0.467 26059 2293 1 4 . 1 1 23 23 ARG CA C 23 56.200 56.200 55.069 1.131 26059 2294 1 4 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.068 1.082 26059 2295 1 4 . 1 1 23 23 ARG H H 23 8.720 8.720 8.715 0.005 26059 2296 1 4 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.137 -0.097 26059 2297 1 4 . 1 1 24 24 LYS C C 24 176.960 176.960 176.331 0.629 26059 2298 1 4 . 1 1 24 24 LYS CA C 24 58.800 58.800 58.124 0.676 26059 2299 1 4 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.710 -0.650 26059 2300 1 4 . 1 1 25 25 LYS N N 25 115.870 115.870 119.029 -3.159 26059 2301 1 4 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.734 0.096 26059 2302 1 4 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.394 -0.434 26059 2303 1 4 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.682 1.398 26059 2304 1 4 . 1 1 25 25 LYS H H 25 7.720 7.720 7.671 0.049 26059 2305 1 4 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.505 0.325 26059 2306 1 4 . 1 1 26 26 PRO C C 26 177.400 177.400 176.877 0.523 26059 2307 1 4 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.123 -0.473 26059 2308 1 4 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.265 0.125 26059 2309 1 4 . 1 1 27 27 THR N N 27 111.270 111.270 114.047 -2.777 26059 2310 1 4 . 1 1 27 27 THR HA H 27 4.530 4.530 4.321 0.209 26059 2311 1 4 . 1 1 27 27 THR C C 27 177.300 177.300 176.964 0.336 26059 2312 1 4 . 1 1 27 27 THR CA C 27 61.300 61.300 60.989 0.311 26059 2313 1 4 . 1 1 27 27 THR CB C 27 71.460 71.460 70.031 1.429 26059 2314 1 4 . 1 1 27 27 THR H H 27 8.380 8.380 8.278 0.102 26059 2315 1 4 . 1 1 28 28 VAL N N 28 121.170 121.170 119.289 1.881 26059 2316 1 4 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.992 -0.109 26059 2317 1 4 . 1 1 28 28 VAL C C 28 177.030 177.030 175.926 1.104 26059 2318 1 4 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.749 0.451 26059 2319 1 4 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.652 -0.252 26059 2320 1 4 . 1 1 28 28 VAL H H 28 8.910 8.910 8.523 0.387 26059 2321 1 4 . 1 1 29 29 GLU N N 29 116.800 116.800 120.769 -3.969 26059 2322 1 4 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.109 -0.189 26059 2323 1 4 . 1 1 29 29 GLU C C 29 176.200 176.200 176.389 -0.189 26059 2324 1 4 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.416 1.834 26059 2325 1 4 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.515 -0.345 26059 2326 1 4 . 1 1 29 29 GLU H H 29 7.990 7.990 7.974 0.016 26059 2327 1 4 . 1 1 30 30 GLY N N 30 105.500 105.500 106.941 -1.441 26059 2328 1 4 . 1 1 30 30 GLY C C 30 174.900 174.900 173.911 0.989 26059 2329 1 4 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.342 -0.881 26059 2330 1 4 . 1 1 30 30 GLY H H 30 7.950 7.950 7.740 0.210 26059 2331 1 4 . 1 1 31 31 PHE N N 31 119.300 119.300 118.944 0.356 26059 2332 1 4 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.894 -0.134 26059 2333 1 4 . 1 1 31 31 PHE C C 31 176.400 176.400 176.222 0.178 26059 2334 1 4 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.398 1.502 26059 2335 1 4 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.364 -3.865 26059 2336 1 4 . 1 1 31 31 PHE H H 31 7.520 7.520 7.619 -0.099 26059 2337 1 4 . 1 1 32 32 THR N N 32 112.300 112.300 116.660 -4.360 26059 2338 1 4 . 1 1 32 32 THR HA H 32 4.330 4.330 4.372 -0.042 26059 2339 1 4 . 1 1 32 32 THR C C 32 175.200 175.200 174.471 0.729 26059 2340 1 4 . 1 1 32 32 THR CA C 32 62.780 62.780 63.306 -0.526 26059 2341 1 4 . 1 1 32 32 THR CB C 32 70.350 70.350 69.580 0.770 26059 2342 1 4 . 1 1 32 32 THR H H 32 7.770 7.770 8.844 -1.074 26059 2343 1 4 . 1 1 33 33 HIS N N 33 121.900 121.900 120.756 1.144 26059 2344 1 4 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.383 0.117 26059 2345 1 4 . 1 1 33 33 HIS C C 33 173.880 173.880 173.705 0.175 26059 2346 1 4 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.999 0.781 26059 2347 1 4 . 1 1 33 33 HIS CB C 33 35.640 35.640 32.916 2.724 26059 2348 1 4 . 1 1 33 33 HIS H H 33 9.110 9.110 8.797 0.313 26059 2349 1 4 . 1 1 34 34 ASP N N 34 120.300 120.300 122.246 -1.946 26059 2350 1 4 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.576 -0.176 26059 2351 1 4 . 1 1 34 34 ASP C C 34 175.100 175.100 175.214 -0.114 26059 2352 1 4 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.723 -0.413 26059 2353 1 4 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.794 -0.794 26059 2354 1 4 . 1 1 34 34 ASP H H 34 8.810 8.810 8.895 -0.085 26059 2355 1 4 . 1 1 35 35 TRP N N 35 119.800 119.800 122.025 -2.225 26059 2356 1 4 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.535 0.195 26059 2357 1 4 . 1 1 35 35 TRP C C 35 174.900 174.900 173.520 1.380 26059 2358 1 4 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.374 0.526 26059 2359 1 4 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.718 1.952 26059 2360 1 4 . 1 1 35 35 TRP H H 35 9.250 9.250 8.802 0.448 26059 2361 1 4 . 1 1 36 36 MET N N 36 120.980 120.980 123.677 -2.697 26059 2362 1 4 . 1 1 36 36 MET HA H 36 5.750 5.750 5.865 -0.115 26059 2363 1 4 . 1 1 36 36 MET C C 36 173.700 173.700 174.768 -1.068 26059 2364 1 4 . 1 1 36 36 MET CA C 36 54.830 54.830 53.753 1.077 26059 2365 1 4 . 1 1 36 36 MET CB C 36 35.220 35.220 35.821 -0.601 26059 2366 1 4 . 1 1 36 36 MET H H 36 9.080 9.080 8.988 0.092 26059 2367 1 4 . 1 1 37 37 VAL N N 37 126.220 126.220 122.397 3.823 26059 2368 1 4 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.082 0.228 26059 2369 1 4 . 1 1 37 37 VAL C C 37 172.300 172.300 174.423 -2.123 26059 2370 1 4 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.648 -1.108 26059 2371 1 4 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.121 1.949 26059 2372 1 4 . 1 1 37 37 VAL H H 37 9.080 9.080 8.929 0.151 26059 2373 1 4 . 1 1 38 38 PHE N N 38 120.640 120.640 118.997 1.643 26059 2374 1 4 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.002 -0.032 26059 2375 1 4 . 1 1 38 38 PHE C C 38 172.960 172.960 173.561 -0.601 26059 2376 1 4 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.349 0.781 26059 2377 1 4 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.560 0.440 26059 2378 1 4 . 1 1 38 38 PHE H H 38 8.320 8.320 8.752 -0.432 26059 2379 1 4 . 1 1 39 39 VAL N N 39 116.500 116.500 117.565 -1.065 26059 2380 1 4 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.816 -0.806 26059 2381 1 4 . 1 1 39 39 VAL C C 39 174.700 174.700 174.866 -0.166 26059 2382 1 4 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.100 1.540 26059 2383 1 4 . 1 1 39 39 VAL CB C 39 35.400 35.400 34.983 0.416 26059 2384 1 4 . 1 1 39 39 VAL H H 39 8.580 8.580 8.962 -0.382 26059 2385 1 4 . 1 1 40 40 ARG N N 40 124.100 124.100 123.296 0.804 26059 2386 1 4 . 1 1 40 40 ARG HA H 40 5.080 5.080 4.825 0.255 26059 2387 1 4 . 1 1 40 40 ARG C C 40 173.800 173.800 175.435 -1.635 26059 2388 1 4 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.336 0.964 26059 2389 1 4 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.132 -0.551 26059 2390 1 4 . 1 1 40 40 ARG H H 40 9.880 9.880 8.843 1.037 26059 2391 1 4 . 1 1 41 41 GLY N N 41 107.640 107.640 107.836 -0.196 26059 2392 1 4 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.752 1.218 26059 2393 1 4 . 1 1 41 41 GLY H H 41 8.910 8.910 8.071 0.839 26059 2394 1 4 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.382 0.108 26059 2395 1 4 . 1 1 42 42 PRO C C 42 177.300 177.300 176.099 1.201 26059 2396 1 4 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.436 -0.996 26059 2397 1 4 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.446 0.664 26059 2398 1 4 . 1 1 43 43 GLU N N 43 121.050 121.050 121.915 -0.865 26059 2399 1 4 . 1 1 43 43 GLU HA H 43 3.790 3.790 4.074 -0.284 26059 2400 1 4 . 1 1 43 43 GLU C C 43 176.110 176.110 175.501 0.609 26059 2401 1 4 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.770 0.080 26059 2402 1 4 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.280 0.570 26059 2403 1 4 . 1 1 43 43 GLU H H 43 9.060 9.060 9.010 0.050 26059 2404 1 4 . 1 1 44 44 HIS N N 44 114.100 114.100 109.764 4.336 26059 2405 1 4 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.061 0.290 26059 2406 1 4 . 1 1 44 44 HIS C C 44 175.170 175.170 174.468 0.702 26059 2407 1 4 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.339 0.311 26059 2408 1 4 . 1 1 44 44 HIS CB C 44 28.370 28.370 28.821 -0.451 26059 2409 1 4 . 1 1 44 44 HIS H H 44 8.420 8.420 8.267 0.153 26059 2410 1 4 . 1 1 45 45 SER N N 45 115.540 115.540 116.108 -0.568 26059 2411 1 4 . 1 1 45 45 SER HA H 45 4.560 4.560 4.302 0.258 26059 2412 1 4 . 1 1 45 45 SER C C 45 173.700 173.700 174.273 -0.573 26059 2413 1 4 . 1 1 45 45 SER CA C 45 58.710 58.710 59.644 -0.934 26059 2414 1 4 . 1 1 45 45 SER CB C 45 64.500 64.500 63.781 0.719 26059 2415 1 4 . 1 1 45 45 SER H H 45 7.870 7.870 7.534 0.336 26059 2416 1 4 . 1 1 46 46 ASN N N 46 123.900 123.900 124.019 -0.119 26059 2417 1 4 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.671 0.449 26059 2418 1 4 . 1 1 46 46 ASN C C 46 176.300 176.300 175.604 0.696 26059 2419 1 4 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.347 -0.657 26059 2420 1 4 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.510 -0.780 26059 2421 1 4 . 1 1 46 46 ASN H H 46 9.480 9.480 8.882 0.598 26059 2422 1 4 . 1 1 47 47 ILE N N 47 115.240 115.240 119.935 -4.695 26059 2423 1 4 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.054 -0.114 26059 2424 1 4 . 1 1 47 47 ILE C C 47 176.000 176.000 176.665 -0.665 26059 2425 1 4 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.436 1.764 26059 2426 1 4 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.293 -0.593 26059 2427 1 4 . 1 1 47 47 ILE H H 47 8.170 8.170 8.398 -0.228 26059 2428 1 4 . 1 1 48 48 GLN N N 48 123.200 123.200 120.730 2.470 26059 2429 1 4 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.198 0.082 26059 2430 1 4 . 1 1 48 48 GLN C C 48 175.670 175.670 177.257 -1.587 26059 2431 1 4 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.246 -0.346 26059 2432 1 4 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.495 -0.505 26059 2433 1 4 . 1 1 48 48 GLN H H 48 8.850 8.850 8.287 0.563 26059 2434 1 4 . 1 1 49 49 HIS N N 49 115.400 115.400 117.559 -2.159 26059 2435 1 4 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.421 0.149 26059 2436 1 4 . 1 1 49 49 HIS C C 49 176.380 176.380 176.687 -0.307 26059 2437 1 4 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.096 -0.346 26059 2438 1 4 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.511 1.109 26059 2439 1 4 . 1 1 49 49 HIS H H 49 7.400 7.400 7.858 -0.458 26059 2440 1 4 . 1 1 50 50 PHE N N 50 109.800 109.800 112.408 -2.608 26059 2441 1 4 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.870 0.360 26059 2442 1 4 . 1 1 50 50 PHE C C 50 173.800 173.800 174.585 -0.785 26059 2443 1 4 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.137 -0.477 26059 2444 1 4 . 1 1 50 50 PHE CB C 50 41.000 41.000 40.242 0.758 26059 2445 1 4 . 1 1 50 50 PHE H H 50 7.570 7.570 7.540 0.030 26059 2446 1 4 . 1 1 51 51 VAL N N 51 127.810 127.810 121.297 6.513 26059 2447 1 4 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.629 -0.259 26059 2448 1 4 . 1 1 51 51 VAL C C 51 174.500 174.500 175.301 -0.801 26059 2449 1 4 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.945 0.055 26059 2450 1 4 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.668 0.612 26059 2451 1 4 . 1 1 51 51 VAL H H 51 7.810 7.810 8.155 -0.345 26059 2452 1 4 . 1 1 52 52 GLU N N 52 130.700 130.700 128.861 1.839 26059 2453 1 4 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.620 -0.640 26059 2454 1 4 . 1 1 52 52 GLU C C 52 175.400 175.400 175.360 0.040 26059 2455 1 4 . 1 1 52 52 GLU CA C 52 58.000 58.000 56.994 1.006 26059 2456 1 4 . 1 1 52 52 GLU CB C 52 31.580 31.580 32.683 -1.103 26059 2457 1 4 . 1 1 52 52 GLU H H 52 9.380 9.380 9.067 0.313 26059 2458 1 4 . 1 1 53 53 LYS N N 53 109.200 109.200 117.421 -8.221 26059 2459 1 4 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.994 -0.194 26059 2460 1 4 . 1 1 53 53 LYS C C 53 172.300 172.300 174.284 -1.984 26059 2461 1 4 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.969 -0.129 26059 2462 1 4 . 1 1 53 53 LYS CB C 53 34.250 34.250 36.056 -1.806 26059 2463 1 4 . 1 1 53 53 LYS H H 53 7.190 7.190 7.448 -0.258 26059 2464 1 4 . 1 1 54 54 VAL N N 54 120.380 120.380 122.031 -1.651 26059 2465 1 4 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.806 -0.036 26059 2466 1 4 . 1 1 54 54 VAL C C 54 173.600 173.600 173.728 -0.128 26059 2467 1 4 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.207 0.833 26059 2468 1 4 . 1 1 54 54 VAL CB C 54 34.700 34.700 36.089 -1.389 26059 2469 1 4 . 1 1 54 54 VAL H H 54 8.450 8.450 8.506 -0.056 26059 2470 1 4 . 1 1 55 55 VAL N N 55 126.920 126.920 121.695 5.225 26059 2471 1 4 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.228 -0.528 26059 2472 1 4 . 1 1 55 55 VAL C C 55 173.800 173.800 173.448 0.352 26059 2473 1 4 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.466 1.404 26059 2474 1 4 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.722 -1.622 26059 2475 1 4 . 1 1 55 55 VAL H H 55 9.260 9.260 8.487 0.773 26059 2476 1 4 . 1 1 56 56 PHE N N 56 126.130 126.130 127.521 -1.391 26059 2477 1 4 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.873 -0.151 26059 2478 1 4 . 1 1 56 56 PHE C C 56 174.000 174.000 174.939 -0.939 26059 2479 1 4 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.136 0.444 26059 2480 1 4 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.568 0.322 26059 2481 1 4 . 1 1 56 56 PHE H H 56 9.290 9.290 8.779 0.511 26059 2482 1 4 . 1 1 57 57 HIS N N 57 124.180 124.180 125.374 -1.194 26059 2483 1 4 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.849 -0.049 26059 2484 1 4 . 1 1 57 57 HIS C C 57 174.700 174.700 175.069 -0.369 26059 2485 1 4 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.700 -1.380 26059 2486 1 4 . 1 1 57 57 HIS CB C 57 30.100 30.100 27.958 2.142 26059 2487 1 4 . 1 1 57 57 HIS H H 57 8.690 8.690 8.330 0.360 26059 2488 1 4 . 1 1 58 58 LEU N N 58 122.050 122.050 123.799 -1.749 26059 2489 1 4 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.506 -0.196 26059 2490 1 4 . 1 1 58 58 LEU C C 58 174.400 174.400 177.039 -2.639 26059 2491 1 4 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.564 0.846 26059 2492 1 4 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.664 -1.504 26059 2493 1 4 . 1 1 58 58 LEU H H 58 9.050 9.050 8.601 0.449 26059 2494 1 4 . 1 1 59 59 HIS N N 59 118.510 118.510 118.760 -0.250 26059 2495 1 4 . 1 1 59 59 HIS C C 59 175.300 175.300 176.959 -1.659 26059 2496 1 4 . 1 1 59 59 HIS CA C 59 59.110 59.110 56.145 2.965 26059 2497 1 4 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.461 -0.531 26059 2498 1 4 . 1 1 59 59 HIS H H 59 5.160 5.160 8.104 -2.944 26059 2499 1 4 . 1 1 60 60 GLU N N 60 122.190 122.190 124.231 -2.041 26059 2500 1 4 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.088 -0.128 26059 2501 1 4 . 1 1 60 60 GLU C C 60 175.130 175.130 177.279 -2.149 26059 2502 1 4 . 1 1 60 60 GLU CA C 60 59.010 59.010 58.977 0.033 26059 2503 1 4 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.683 0.137 26059 2504 1 4 . 1 1 60 60 GLU H H 60 7.960 7.960 8.507 -0.547 26059 2505 1 4 . 1 1 61 61 SER N N 61 116.940 116.940 113.385 3.555 26059 2506 1 4 . 1 1 61 61 SER HA H 61 4.200 4.200 4.337 -0.137 26059 2507 1 4 . 1 1 61 61 SER CA C 61 60.010 60.010 60.044 -0.034 26059 2508 1 4 . 1 1 61 61 SER CB C 61 63.140 63.140 63.635 -0.495 26059 2509 1 4 . 1 1 61 61 SER H H 61 8.540 8.540 7.678 0.862 26059 2510 1 4 . 1 1 62 62 PHE N N 62 123.700 123.700 123.138 0.562 26059 2511 1 4 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.751 -0.161 26059 2512 1 4 . 1 1 62 62 PHE CA C 62 57.400 57.400 56.259 1.141 26059 2513 1 4 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.041 -0.641 26059 2514 1 4 . 1 1 62 62 PHE H H 62 8.640 8.640 8.119 0.521 26059 2515 1 4 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.470 -0.060 26059 2516 1 4 . 1 1 63 63 PRO C C 63 176.400 176.400 176.009 0.391 26059 2517 1 4 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.476 -0.876 26059 2518 1 4 . 1 1 63 63 PRO CB C 63 31.860 31.860 31.905 -0.045 26059 2519 1 4 . 1 1 64 64 ARG N N 64 116.840 116.840 121.002 -4.162 26059 2520 1 4 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.132 -0.032 26059 2521 1 4 . 1 1 64 64 ARG CA C 64 55.610 55.610 55.904 -0.294 26059 2522 1 4 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.617 0.213 26059 2523 1 4 . 1 1 64 64 ARG H H 64 8.890 8.890 8.539 0.351 26059 2524 1 4 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.324 -0.334 26059 2525 1 4 . 1 1 65 65 PRO C C 65 175.800 175.800 177.172 -1.372 26059 2526 1 4 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.042 1.768 26059 2527 1 4 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.133 -0.253 26059 2528 1 4 . 1 1 66 66 LYS N N 66 119.035 119.035 119.556 -0.521 26059 2529 1 4 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.487 0.123 26059 2530 1 4 . 1 1 66 66 LYS C C 66 175.400 175.400 175.753 -0.353 26059 2531 1 4 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.562 -0.109 26059 2532 1 4 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.170 -0.440 26059 2533 1 4 . 1 1 66 66 LYS H H 66 7.630 7.630 7.922 -0.292 26059 2534 1 4 . 1 1 67 67 ARG N N 67 127.394 127.394 128.645 -1.251 26059 2535 1 4 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.600 0.140 26059 2536 1 4 . 1 1 67 67 ARG C C 67 174.500 174.500 175.184 -0.684 26059 2537 1 4 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.699 0.101 26059 2538 1 4 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.257 0.457 26059 2539 1 4 . 1 1 67 67 ARG H H 67 8.855 8.855 8.565 0.290 26059 2540 1 4 . 1 1 68 68 VAL N N 68 124.388 124.388 121.923 2.465 26059 2541 1 4 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.102 -0.522 26059 2542 1 4 . 1 1 68 68 VAL C C 68 176.850 176.850 175.950 0.900 26059 2543 1 4 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.796 1.277 26059 2544 1 4 . 1 1 68 68 VAL CB C 68 33.604 33.604 32.496 1.108 26059 2545 1 4 . 1 1 68 68 VAL H H 68 8.681 8.681 7.972 0.709 26059 2546 1 4 . 1 1 69 69 CYS N N 69 127.080 127.080 127.770 -0.690 26059 2547 1 4 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.817 0.253 26059 2548 1 4 . 1 1 69 69 CYS CA C 69 58.346 58.346 58.332 0.014 26059 2549 1 4 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.651 0.519 26059 2550 1 4 . 1 1 69 69 CYS H H 69 9.455 9.455 9.217 0.238 26059 2551 1 4 . 1 1 70 70 LYS N N 70 125.480 125.480 123.915 1.565 26059 2552 1 4 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.781 -0.291 26059 2553 1 4 . 1 1 70 70 LYS C C 70 174.300 174.300 176.524 -2.224 26059 2554 1 4 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.209 0.152 26059 2555 1 4 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.532 -0.362 26059 2556 1 4 . 1 1 70 70 LYS H H 70 9.050 9.050 8.558 0.492 26059 2557 1 4 . 1 1 71 71 ASP N N 71 116.940 116.940 121.469 -4.529 26059 2558 1 4 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.734 0.366 26059 2559 1 4 . 1 1 71 71 ASP CA C 71 51.080 51.080 53.012 -1.932 26059 2560 1 4 . 1 1 71 71 ASP CB C 71 43.380 43.380 41.081 2.299 26059 2561 1 4 . 1 1 71 71 ASP H H 71 7.620 7.620 8.067 -0.447 26059 2562 1 4 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.229 -0.969 26059 2563 1 4 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.717 -2.067 26059 2564 1 4 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.736 -0.696 26059 2565 1 4 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.958 0.142 26059 2566 1 4 . 1 1 73 73 PRO C C 73 174.700 174.700 176.342 -1.642 26059 2567 1 4 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.821 -2.131 26059 2568 1 4 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.392 2.648 26059 2569 1 4 . 1 1 74 74 TYR N N 74 125.400 125.400 124.498 0.902 26059 2570 1 4 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.387 0.463 26059 2571 1 4 . 1 1 74 74 TYR C C 74 172.900 172.900 175.347 -2.447 26059 2572 1 4 . 1 1 74 74 TYR CA C 74 55.670 55.670 58.983 -3.313 26059 2573 1 4 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.621 -1.221 26059 2574 1 4 . 1 1 74 74 TYR H H 74 8.960 8.960 8.380 0.580 26059 2575 1 4 . 1 1 75 75 LYS N N 75 121.400 121.400 119.776 1.624 26059 2576 1 4 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.584 0.006 26059 2577 1 4 . 1 1 75 75 LYS C C 75 173.800 173.800 174.954 -1.154 26059 2578 1 4 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.188 0.462 26059 2579 1 4 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.197 -1.307 26059 2580 1 4 . 1 1 75 75 LYS H H 75 7.670 7.670 7.958 -0.288 26059 2581 1 4 . 1 1 76 76 VAL N N 76 119.800 119.800 122.232 -2.432 26059 2582 1 4 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.273 -0.383 26059 2583 1 4 . 1 1 76 76 VAL C C 76 173.900 173.900 174.352 -0.452 26059 2584 1 4 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.425 1.305 26059 2585 1 4 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.255 0.285 26059 2586 1 4 . 1 1 76 76 VAL H H 76 8.180 8.180 8.655 -0.475 26059 2587 1 4 . 1 1 77 77 GLU N N 77 126.190 126.190 126.592 -0.402 26059 2588 1 4 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.057 -0.107 26059 2589 1 4 . 1 1 77 77 GLU C C 77 174.700 174.700 175.253 -0.553 26059 2590 1 4 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.780 0.160 26059 2591 1 4 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.555 -0.005 26059 2592 1 4 . 1 1 77 77 GLU H H 77 8.270 8.270 8.686 -0.416 26059 2593 1 4 . 1 1 78 78 GLU N N 78 126.180 126.180 124.064 2.116 26059 2594 1 4 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.503 -0.053 26059 2595 1 4 . 1 1 78 78 GLU C C 78 175.400 175.400 174.034 1.366 26059 2596 1 4 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.169 -0.169 26059 2597 1 4 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.997 3.103 26059 2598 1 4 . 1 1 78 78 GLU H H 78 7.870 7.870 7.863 0.007 26059 2599 1 4 . 1 1 79 79 SER N N 79 112.109 112.109 116.106 -3.997 26059 2600 1 4 . 1 1 79 79 SER HA H 79 5.560 5.560 5.631 -0.071 26059 2601 1 4 . 1 1 79 79 SER C C 79 172.490 172.490 174.019 -1.529 26059 2602 1 4 . 1 1 79 79 SER CA C 79 57.754 57.754 57.223 0.531 26059 2603 1 4 . 1 1 79 79 SER CB C 79 65.861 65.861 65.567 0.294 26059 2604 1 4 . 1 1 79 79 SER H H 79 7.714 7.714 8.622 -0.908 26059 2605 1 4 . 1 1 80 80 GLY N N 80 106.048 106.048 109.216 -3.168 26059 2606 1 4 . 1 1 80 80 GLY C C 80 172.630 172.630 172.234 0.396 26059 2607 1 4 . 1 1 80 80 GLY CA C 80 45.700 45.700 44.971 0.729 26059 2608 1 4 . 1 1 80 80 GLY H H 80 8.828 8.828 8.895 -0.067 26059 2609 1 4 . 1 1 81 81 TYR N N 81 115.280 115.280 116.213 -0.933 26059 2610 1 4 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.378 0.302 26059 2611 1 4 . 1 1 81 81 TYR C C 81 174.100 174.100 174.218 -0.118 26059 2612 1 4 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.343 -1.843 26059 2613 1 4 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.757 0.243 26059 2614 1 4 . 1 1 81 81 TYR H H 81 8.770 8.770 8.040 0.730 26059 2615 1 4 . 1 1 82 82 ALA N N 82 122.350 122.350 122.835 -0.485 26059 2616 1 4 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.508 -0.068 26059 2617 1 4 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.207 -0.167 26059 2618 1 4 . 1 1 82 82 ALA CB C 82 22.400 22.400 21.017 1.383 26059 2619 1 4 . 1 1 82 82 ALA H H 82 7.160 7.160 7.002 0.158 26059 2620 1 4 . 1 1 83 83 GLY N N 83 107.100 107.100 108.460 -1.360 26059 2621 1 4 . 1 1 83 83 GLY C C 83 172.500 172.500 173.577 -1.077 26059 2622 1 4 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.593 0.017 26059 2623 1 4 . 1 1 83 83 GLY H H 83 8.220 8.220 8.279 -0.059 26059 2624 1 4 . 1 1 84 84 PHE N N 84 111.660 111.660 115.574 -3.914 26059 2625 1 4 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.649 0.041 26059 2626 1 4 . 1 1 84 84 PHE C C 84 172.460 172.460 173.003 -0.543 26059 2627 1 4 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.755 0.745 26059 2628 1 4 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.702 -1.122 26059 2629 1 4 . 1 1 84 84 PHE H H 84 7.700 7.700 8.198 -0.498 26059 2630 1 4 . 1 1 85 85 ILE N N 85 117.810 117.810 121.263 -3.453 26059 2631 1 4 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.063 0.247 26059 2632 1 4 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.793 -1.453 26059 2633 1 4 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.852 -1.592 26059 2634 1 4 . 1 1 85 85 ILE H H 85 8.340 8.340 8.284 0.056 26059 2635 1 4 . 1 1 86 86 LEU N N 86 108.130 108.130 129.171 -21.041 26059 2636 1 4 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.941 0.039 26059 2637 1 4 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.866 2.334 26059 2638 1 4 . 1 1 86 86 LEU CB C 86 45.300 45.300 44.923 0.377 26059 2639 1 4 . 1 1 86 86 LEU H H 86 9.900 9.900 8.689 1.211 26059 2640 1 4 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.618 0.482 26059 2641 1 4 . 1 1 87 87 PRO C C 87 175.340 175.340 175.864 -0.524 26059 2642 1 4 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.126 -0.016 26059 2643 1 4 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.267 0.293 26059 2644 1 4 . 1 1 88 88 ILE N N 88 126.000 126.000 126.920 -0.920 26059 2645 1 4 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.537 0.253 26059 2646 1 4 . 1 1 88 88 ILE C C 88 176.100 176.100 174.974 1.126 26059 2647 1 4 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.378 0.182 26059 2648 1 4 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.821 2.179 26059 2649 1 4 . 1 1 88 88 ILE H H 88 9.380 9.380 8.845 0.535 26059 2650 1 4 . 1 1 89 89 GLU N N 89 123.900 123.900 127.848 -3.948 26059 2651 1 4 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.176 0.024 26059 2652 1 4 . 1 1 89 89 GLU C C 89 173.800 173.800 175.416 -1.616 26059 2653 1 4 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.376 -0.406 26059 2654 1 4 . 1 1 89 89 GLU CB C 89 34.380 34.380 32.135 2.245 26059 2655 1 4 . 1 1 89 89 GLU H H 89 9.320 9.320 8.568 0.752 26059 2656 1 4 . 1 1 90 90 VAL N N 90 123.980 123.980 124.464 -0.484 26059 2657 1 4 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.910 0.250 26059 2658 1 4 . 1 1 90 90 VAL C C 90 174.800 174.800 174.501 0.299 26059 2659 1 4 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.844 -0.454 26059 2660 1 4 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.757 -0.267 26059 2661 1 4 . 1 1 90 90 VAL H H 90 8.630 8.630 8.204 0.426 26059 2662 1 4 . 1 1 91 91 TYR N N 91 124.230 124.230 126.440 -2.210 26059 2663 1 4 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.891 -0.231 26059 2664 1 4 . 1 1 91 91 TYR C C 91 176.800 176.800 175.625 1.175 26059 2665 1 4 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.107 -0.407 26059 2666 1 4 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.633 0.607 26059 2667 1 4 . 1 1 91 91 TYR H H 91 8.640 8.640 9.125 -0.485 26059 2668 1 4 . 1 1 92 92 PHE N N 92 121.200 121.200 122.095 -0.895 26059 2669 1 4 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.252 0.408 26059 2670 1 4 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.078 1.432 26059 2671 1 4 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.275 -0.275 26059 2672 1 4 . 1 1 92 92 PHE H H 92 8.750 8.750 8.942 -0.192 26059 2673 1 4 . 1 1 93 93 LYS N N 93 123.450 123.450 123.198 0.252 26059 2674 1 4 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.472 0.128 26059 2675 1 4 . 1 1 93 93 LYS C C 93 174.200 174.200 175.596 -1.396 26059 2676 1 4 . 1 1 93 93 LYS CA C 93 55.180 55.180 56.142 -0.962 26059 2677 1 4 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.493 0.187 26059 2678 1 4 . 1 1 93 93 LYS H H 93 8.560 8.560 9.069 -0.509 26059 2679 1 4 . 1 1 94 94 ASN N N 94 118.800 118.800 122.554 -3.754 26059 2680 1 4 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.922 -0.482 26059 2681 1 4 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.244 -1.034 26059 2682 1 4 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.904 -2.104 26059 2683 1 4 . 1 1 94 94 ASN H H 94 7.820 7.820 8.099 -0.279 26059 2684 1 4 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.512 -0.182 26059 2685 1 4 . 1 1 95 95 LYS C C 95 175.800 175.800 175.869 -0.069 26059 2686 1 4 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.372 -0.162 26059 2687 1 4 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.878 0.132 26059 2688 1 4 . 1 1 96 96 GLU N N 96 118.330 118.330 121.052 -2.722 26059 2689 1 4 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.362 0.148 26059 2690 1 4 . 1 1 96 96 GLU C C 96 173.200 173.200 176.189 -2.989 26059 2691 1 4 . 1 1 96 96 GLU CA C 96 54.100 54.100 55.156 -1.056 26059 2692 1 4 . 1 1 96 96 GLU CB C 96 31.470 31.470 29.967 1.503 26059 2693 1 4 . 1 1 96 96 GLU H H 96 7.120 7.120 7.499 -0.379 26059 2694 1 4 . 1 1 97 97 GLU N N 97 115.630 115.630 119.814 -4.184 26059 2695 1 4 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.084 0.346 26059 2696 1 4 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.420 -1.560 26059 2697 1 4 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.395 0.875 26059 2698 1 4 . 1 1 97 97 GLU H H 97 8.060 8.060 8.290 -0.230 26059 2699 1 4 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.231 0.769 26059 2700 1 4 . 1 1 98 98 PRO C C 98 175.900 175.900 176.880 -0.980 26059 2701 1 4 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.057 -1.897 26059 2702 1 4 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.900 2.100 26059 2703 1 4 . 1 1 99 99 ARG N N 99 122.800 122.800 120.309 2.491 26059 2704 1 4 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.430 0.200 26059 2705 1 4 . 1 1 99 99 ARG C C 99 175.800 175.800 175.597 0.203 26059 2706 1 4 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.787 0.413 26059 2707 1 4 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.367 0.043 26059 2708 1 4 . 1 1 99 99 ARG H H 99 8.602 8.602 8.633 -0.031 26059 2709 1 4 . 1 1 100 100 LYS N N 100 113.220 113.220 116.164 -2.944 26059 2710 1 4 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.888 0.052 26059 2711 1 4 . 1 1 100 100 LYS C C 100 174.100 174.100 174.602 -0.502 26059 2712 1 4 . 1 1 100 100 LYS CA C 100 53.391 53.391 54.008 -0.617 26059 2713 1 4 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.581 -0.861 26059 2714 1 4 . 1 1 100 100 LYS H H 100 7.650 7.650 7.267 0.383 26059 2715 1 4 . 1 1 101 101 VAL N N 101 116.230 116.230 117.407 -1.177 26059 2716 1 4 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.408 -0.138 26059 2717 1 4 . 1 1 101 101 VAL C C 101 171.600 171.600 173.302 -1.702 26059 2718 1 4 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.205 1.055 26059 2719 1 4 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.579 -0.399 26059 2720 1 4 . 1 1 101 101 VAL H H 101 8.120 8.120 8.279 -0.159 26059 2721 1 4 . 1 1 102 102 ARG N N 102 124.980 124.980 123.997 0.983 26059 2722 1 4 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.879 0.281 26059 2723 1 4 . 1 1 102 102 ARG C C 102 174.340 174.340 174.914 -0.574 26059 2724 1 4 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.785 -1.035 26059 2725 1 4 . 1 1 102 102 ARG CB C 102 33.350 33.350 32.095 1.255 26059 2726 1 4 . 1 1 102 102 ARG H H 102 7.930 7.930 8.044 -0.114 26059 2727 1 4 . 1 1 103 103 PHE N N 103 124.590 124.590 125.924 -1.334 26059 2728 1 4 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.759 0.033 26059 2729 1 4 . 1 1 103 103 PHE C C 103 174.280 174.280 174.578 -0.298 26059 2730 1 4 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.629 0.851 26059 2731 1 4 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.864 1.387 26059 2732 1 4 . 1 1 103 103 PHE H H 103 9.390 9.390 9.171 0.219 26059 2733 1 4 . 1 1 104 104 ASP N N 104 124.700 124.700 124.558 0.142 26059 2734 1 4 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.577 0.222 26059 2735 1 4 . 1 1 104 104 ASP C C 104 174.500 174.500 174.777 -0.277 26059 2736 1 4 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.998 0.392 26059 2737 1 4 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.500 -0.270 26059 2738 1 4 . 1 1 104 104 ASP H H 104 9.010 9.010 8.999 0.011 26059 2739 1 4 . 1 1 105 105 TYR N N 105 129.840 129.840 124.673 5.167 26059 2740 1 4 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.672 -0.602 26059 2741 1 4 . 1 1 105 105 TYR C C 105 173.100 173.100 173.189 -0.089 26059 2742 1 4 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.978 1.702 26059 2743 1 4 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.395 -0.545 26059 2744 1 4 . 1 1 105 105 TYR H H 105 8.140 8.140 8.207 -0.067 26059 2745 1 4 . 1 1 106 106 ASP N N 106 126.800 126.800 127.320 -0.520 26059 2746 1 4 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.396 -0.176 26059 2747 1 4 . 1 1 106 106 ASP C C 106 172.900 172.900 174.225 -1.325 26059 2748 1 4 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.523 -0.013 26059 2749 1 4 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.650 -2.150 26059 2750 1 4 . 1 1 106 106 ASP H H 106 7.730 7.730 8.244 -0.514 26059 2751 1 4 . 1 1 107 107 LEU N N 107 132.150 132.150 128.289 3.861 26059 2752 1 4 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.496 -0.656 26059 2753 1 4 . 1 1 107 107 LEU C C 107 172.100 172.100 174.644 -2.544 26059 2754 1 4 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.707 -0.507 26059 2755 1 4 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.765 -1.525 26059 2756 1 4 . 1 1 107 107 LEU H H 107 7.770 7.770 7.661 0.109 26059 2757 1 4 . 1 1 108 108 PHE N N 108 118.960 118.960 121.842 -2.882 26059 2758 1 4 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.912 -0.222 26059 2759 1 4 . 1 1 108 108 PHE C C 108 174.300 174.300 173.676 0.624 26059 2760 1 4 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.551 -0.861 26059 2761 1 4 . 1 1 108 108 PHE CB C 108 40.290 40.290 41.017 -0.727 26059 2762 1 4 . 1 1 108 108 PHE H H 108 6.060 6.060 7.329 -1.269 26059 2763 1 4 . 1 1 109 109 LEU N N 109 118.900 118.900 120.762 -1.862 26059 2764 1 4 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.733 -0.333 26059 2765 1 4 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.380 -1.220 26059 2766 1 4 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.475 -2.395 26059 2767 1 4 . 1 1 109 109 LEU H H 109 8.388 8.388 8.242 0.146 26059 2768 1 4 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.336 0.104 26059 2769 1 4 . 1 1 111 111 LEU C C 111 177.300 177.300 176.782 0.518 26059 2770 1 4 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.187 -0.967 26059 2771 1 4 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.403 1.467 26059 2772 1 4 . 1 1 112 112 GLU N N 112 120.660 120.660 125.537 -4.877 26059 2773 1 4 . 1 1 112 112 GLU HA H 112 4.170 4.170 3.949 0.221 26059 2774 1 4 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.239 0.221 26059 2775 1 4 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.819 -0.629 26059 2776 1 4 . 1 1 112 112 GLU H H 112 8.780 8.780 8.788 -0.008 26059 2777 1 4 . 1 1 113 113 GLY C C 113 173.900 173.900 173.715 0.185 26059 2778 1 4 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.942 0.008 26059 2779 1 4 . 1 1 114 114 HIS N N 114 120.890 120.890 118.501 2.389 26059 2780 1 4 . 1 1 114 114 HIS HA H 114 4.906 4.906 5.110 -0.204 26059 2781 1 4 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.199 1.571 26059 2782 1 4 . 1 1 114 114 HIS CB C 114 30.590 30.590 29.884 0.706 26059 2783 1 4 . 1 1 114 114 HIS H H 114 7.934 7.934 7.556 0.378 26059 2784 1 4 . 1 1 115 115 PRO HA H 115 4.800 4.800 5.099 -0.299 26059 2785 1 4 . 1 1 115 115 PRO CA C 115 62.090 62.090 61.118 0.972 26059 2786 1 4 . 1 1 115 115 PRO CB C 115 30.680 30.680 31.876 -1.196 26059 2787 1 4 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.626 -0.416 26059 2788 1 4 . 1 1 116 116 PRO C C 116 176.600 176.600 175.643 0.957 26059 2789 1 4 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.036 0.264 26059 2790 1 4 . 1 1 117 117 VAL N N 117 127.480 127.480 125.677 1.803 26059 2791 1 4 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.191 -0.401 26059 2792 1 4 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.901 0.799 26059 2793 1 4 . 1 1 117 117 VAL CB C 117 33.200 33.200 33.113 0.087 26059 2794 1 4 . 1 1 117 117 VAL H H 117 8.890 8.890 7.871 1.019 26059 2795 1 4 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.136 -0.146 26059 2796 1 4 . 1 1 118 118 ASN C C 118 172.700 172.700 173.733 -1.033 26059 2797 1 4 . 1 1 118 118 ASN CA C 118 53.360 53.360 52.941 0.419 26059 2798 1 4 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.596 -1.396 26059 2799 1 4 . 1 1 119 119 HIS N N 119 124.930 124.930 126.618 -1.688 26059 2800 1 4 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.090 -0.270 26059 2801 1 4 . 1 1 119 119 HIS C C 119 173.500 173.500 173.002 0.498 26059 2802 1 4 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.202 1.768 26059 2803 1 4 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.682 0.588 26059 2804 1 4 . 1 1 119 119 HIS H H 119 8.790 8.790 8.581 0.209 26059 2805 1 4 . 1 1 120 120 LEU N N 120 128.280 128.280 124.583 3.697 26059 2806 1 4 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.639 0.311 26059 2807 1 4 . 1 1 120 120 LEU C C 120 174.030 174.030 175.584 -1.554 26059 2808 1 4 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.605 0.395 26059 2809 1 4 . 1 1 120 120 LEU CB C 120 46.600 46.600 45.036 1.564 26059 2810 1 4 . 1 1 120 120 LEU H H 120 7.460 7.460 8.308 -0.848 26059 2811 1 4 . 1 1 121 121 ARG N N 121 128.060 128.060 122.976 5.084 26059 2812 1 4 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.663 -0.023 26059 2813 1 4 . 1 1 121 121 ARG C C 121 173.400 173.400 173.911 -0.511 26059 2814 1 4 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.992 -0.632 26059 2815 1 4 . 1 1 121 121 ARG CB C 121 34.260 34.260 34.414 -0.154 26059 2816 1 4 . 1 1 121 121 ARG H H 121 9.860 9.860 8.637 1.223 26059 2817 1 4 . 1 1 122 122 CYS N N 122 125.290 125.290 123.390 1.900 26059 2818 1 4 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.352 -0.332 26059 2819 1 4 . 1 1 122 122 CYS C C 122 174.600 174.600 174.126 0.474 26059 2820 1 4 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.062 1.228 26059 2821 1 4 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.488 -1.458 26059 2822 1 4 . 1 1 122 122 CYS H H 122 8.835 8.835 8.632 0.203 26059 2823 1 4 . 1 1 123 123 GLU N N 123 125.920 125.920 124.557 1.363 26059 2824 1 4 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.539 0.141 26059 2825 1 4 . 1 1 123 123 GLU C C 123 174.500 174.500 174.792 -0.292 26059 2826 1 4 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.628 -0.208 26059 2827 1 4 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.657 -0.074 26059 2828 1 4 . 1 1 123 123 GLU H H 123 8.970 8.970 8.991 -0.021 26059 2829 1 4 . 1 1 124 124 LYS N N 124 121.837 121.837 124.634 -2.797 26059 2830 1 4 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.993 -0.033 26059 2831 1 4 . 1 1 124 124 LYS C C 124 175.700 175.700 176.012 -0.312 26059 2832 1 4 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.320 0.037 26059 2833 1 4 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.922 0.267 26059 2834 1 4 . 1 1 124 124 LYS H H 124 8.652 8.652 8.498 0.154 26059 2835 1 4 . 1 1 125 125 LEU N N 125 127.000 127.000 129.384 -2.384 26059 2836 1 4 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.516 0.134 26059 2837 1 4 . 1 1 125 125 LEU C C 125 175.110 175.110 175.311 -0.201 26059 2838 1 4 . 1 1 125 125 LEU CA C 125 53.854 53.854 53.904 -0.049 26059 2839 1 4 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.944 1.323 26059 2840 1 4 . 1 1 125 125 LEU H H 125 9.175 9.175 9.180 -0.005 26059 2841 1 4 . 1 1 126 126 THR N N 126 117.779 117.779 120.850 -3.071 26059 2842 1 4 . 1 1 126 126 THR HA H 126 4.650 4.650 4.551 0.099 26059 2843 1 4 . 1 1 126 126 THR C C 126 173.200 173.200 173.574 -0.374 26059 2844 1 4 . 1 1 126 126 THR CA C 126 62.036 62.036 62.205 -0.168 26059 2845 1 4 . 1 1 126 126 THR CB C 126 70.284 70.284 69.306 0.977 26059 2846 1 4 . 1 1 126 126 THR H H 126 8.331 8.331 8.425 -0.094 26059 2847 1 4 . 1 1 127 127 PHE N N 127 126.576 126.576 127.506 -0.930 26059 2848 1 4 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.725 -0.135 26059 2849 1 4 . 1 1 127 127 PHE C C 127 174.860 174.860 174.331 0.529 26059 2850 1 4 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.482 1.382 26059 2851 1 4 . 1 1 127 127 PHE CB C 127 39.000 39.000 39.800 -0.800 26059 2852 1 4 . 1 1 127 127 PHE H H 127 9.051 9.051 9.147 -0.096 26059 2853 1 4 . 1 1 128 128 ASN N N 128 123.040 123.040 122.003 1.037 26059 2854 1 4 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.625 -0.005 26059 2855 1 4 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.571 0.909 26059 2856 1 4 . 1 1 128 128 ASN CB C 128 39.460 39.460 39.114 0.346 26059 2857 1 4 . 1 1 128 128 ASN H H 128 8.880 8.880 8.795 0.085 26059 2858 1 4 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.650 0.110 26059 2859 1 4 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.237 -0.337 26059 2860 1 4 . 1 1 129 129 ASN CB C 129 38.730 38.730 38.351 0.379 26059 2861 1 4 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.532 0.258 26059 2862 1 4 . 1 1 130 130 PRO C C 130 177.470 177.470 176.200 1.270 26059 2863 1 4 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.511 0.063 26059 2864 1 4 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.580 -0.270 26059 2865 1 4 . 1 1 131 131 THR N N 131 113.400 113.400 112.063 1.337 26059 2866 1 4 . 1 1 131 131 THR HA H 131 4.300 4.300 4.301 -0.001 26059 2867 1 4 . 1 1 131 131 THR C C 131 175.200 175.200 176.104 -0.904 26059 2868 1 4 . 1 1 131 131 THR CA C 131 62.200 62.200 61.956 0.244 26059 2869 1 4 . 1 1 131 131 THR CB C 131 70.600 70.600 70.355 0.245 26059 2870 1 4 . 1 1 131 131 THR H H 131 8.950 8.950 8.061 0.889 26059 2871 1 4 . 1 1 132 132 GLU N N 132 122.199 122.199 125.540 -3.341 26059 2872 1 4 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.915 0.095 26059 2873 1 4 . 1 1 132 132 GLU C C 132 178.700 178.700 178.058 0.642 26059 2874 1 4 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.584 -0.290 26059 2875 1 4 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.611 -0.451 26059 2876 1 4 . 1 1 132 132 GLU H H 132 8.932 8.932 9.143 -0.211 26059 2877 1 4 . 1 1 133 133 ASP N N 133 116.324 116.324 118.008 -1.684 26059 2878 1 4 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.408 -0.078 26059 2879 1 4 . 1 1 133 133 ASP C C 133 177.800 177.800 178.286 -0.486 26059 2880 1 4 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.691 0.668 26059 2881 1 4 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.830 1.993 26059 2882 1 4 . 1 1 133 133 ASP H H 133 8.490 8.490 8.745 -0.255 26059 2883 1 4 . 1 1 134 134 PHE N N 134 119.914 119.914 122.517 -2.603 26059 2884 1 4 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.193 0.417 26059 2885 1 4 . 1 1 134 134 PHE C C 134 177.300 177.300 176.985 0.315 26059 2886 1 4 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.450 -0.913 26059 2887 1 4 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.359 -0.159 26059 2888 1 4 . 1 1 134 134 PHE H H 134 7.787 7.787 7.592 0.195 26059 2889 1 4 . 1 1 135 135 ARG N N 135 119.794 119.794 120.576 -0.782 26059 2890 1 4 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.750 -0.400 26059 2891 1 4 . 1 1 135 135 ARG C C 135 177.370 177.370 178.084 -0.714 26059 2892 1 4 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.055 0.321 26059 2893 1 4 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.045 0.351 26059 2894 1 4 . 1 1 135 135 ARG H H 135 9.087 9.087 8.477 0.610 26059 2895 1 4 . 1 1 136 136 ARG N N 136 114.554 114.554 118.686 -4.132 26059 2896 1 4 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.962 -0.142 26059 2897 1 4 . 1 1 136 136 ARG C C 136 178.950 178.950 178.546 0.404 26059 2898 1 4 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.582 -0.282 26059 2899 1 4 . 1 1 136 136 ARG CB C 136 30.217 30.217 29.987 0.230 26059 2900 1 4 . 1 1 136 136 ARG H H 136 7.747 7.747 8.442 -0.695 26059 2901 1 4 . 1 1 137 137 LYS N N 137 118.298 118.298 118.750 -0.452 26059 2902 1 4 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.048 -0.148 26059 2903 1 4 . 1 1 137 137 LYS C C 137 177.980 177.980 178.884 -0.904 26059 2904 1 4 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.331 1.063 26059 2905 1 4 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.284 0.163 26059 2906 1 4 . 1 1 137 137 LYS H H 137 7.154 7.154 7.377 -0.223 26059 2907 1 4 . 1 1 138 138 LEU N N 138 117.159 117.159 119.111 -1.952 26059 2908 1 4 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.779 -0.359 26059 2909 1 4 . 1 1 138 138 LEU C C 138 179.100 179.100 178.516 0.584 26059 2910 1 4 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.190 0.041 26059 2911 1 4 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.559 0.769 26059 2912 1 4 . 1 1 138 138 LEU H H 138 7.709 7.709 7.769 -0.060 26059 2913 1 4 . 1 1 139 139 LEU N N 139 115.158 115.158 116.640 -1.482 26059 2914 1 4 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.115 0.035 26059 2915 1 4 . 1 1 139 139 LEU C C 139 177.600 177.600 178.610 -1.010 26059 2916 1 4 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.683 -1.154 26059 2917 1 4 . 1 1 139 139 LEU CB C 139 41.744 41.744 42.036 -0.292 26059 2918 1 4 . 1 1 139 139 LEU H H 139 7.507 7.507 8.078 -0.571 26059 2919 1 4 . 1 1 140 140 LYS N N 140 120.256 120.256 119.404 0.852 26059 2920 1 4 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.056 0.054 26059 2921 1 4 . 1 1 140 140 LYS C C 140 175.800 175.800 177.357 -1.557 26059 2922 1 4 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.189 -0.137 26059 2923 1 4 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.765 -0.119 26059 2924 1 4 . 1 1 140 140 LYS H H 140 7.304 7.304 7.653 -0.349 26059 2925 1 5 . 1 1 4 4 MET C C 4 175.800 175.800 176.169 -0.369 26059 2926 1 5 . 1 1 4 4 MET CA C 4 55.350 55.350 54.971 0.378 26059 2927 1 5 . 1 1 4 4 MET CB C 4 32.880 32.880 32.544 0.336 26059 2928 1 5 . 1 1 5 5 ALA N N 5 125.230 125.230 121.910 3.320 26059 2929 1 5 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.185 0.165 26059 2930 1 5 . 1 1 5 5 ALA CA C 5 52.430 52.430 53.906 -1.476 26059 2931 1 5 . 1 1 5 5 ALA CB C 5 19.370 19.370 18.719 0.651 26059 2932 1 5 . 1 1 5 5 ALA H H 5 8.320 8.320 8.442 -0.122 26059 2933 1 5 . 1 1 6 6 SER HA H 6 4.490 4.490 4.547 -0.057 26059 2934 1 5 . 1 1 6 6 SER CA C 6 58.200 58.200 57.288 0.912 26059 2935 1 5 . 1 1 6 6 SER CB C 6 63.700 63.700 62.240 1.460 26059 2936 1 5 . 1 1 7 7 SER HA H 7 4.530 4.530 5.253 -0.723 26059 2937 1 5 . 1 1 7 7 SER CA C 7 58.200 58.200 58.578 -0.378 26059 2938 1 5 . 1 1 7 7 SER CB C 7 63.700 63.700 63.795 -0.095 26059 2939 1 5 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.691 -0.081 26059 2940 1 5 . 1 1 8 8 CYS C C 8 173.500 173.500 172.463 1.037 26059 2941 1 5 . 1 1 8 8 CYS CA C 8 58.340 58.340 58.410 -0.070 26059 2942 1 5 . 1 1 8 8 CYS CB C 8 28.490 28.490 30.570 -2.080 26059 2943 1 5 . 1 1 9 9 ALA N N 9 124.700 124.700 130.374 -5.674 26059 2944 1 5 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.177 -0.387 26059 2945 1 5 . 1 1 9 9 ALA C C 9 177.400 177.400 176.134 1.266 26059 2946 1 5 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.683 1.387 26059 2947 1 5 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.340 0.289 26059 2948 1 5 . 1 1 9 9 ALA H H 9 7.960 7.960 8.104 -0.144 26059 2949 1 5 . 1 1 10 10 VAL N N 10 120.124 120.124 123.643 -3.519 26059 2950 1 5 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.364 -0.074 26059 2951 1 5 . 1 1 10 10 VAL C C 10 173.900 173.900 174.878 -0.978 26059 2952 1 5 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.197 0.353 26059 2953 1 5 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.596 1.304 26059 2954 1 5 . 1 1 10 10 VAL H H 10 8.424 8.424 8.409 0.015 26059 2955 1 5 . 1 1 11 11 GLN N N 11 125.818 125.818 124.015 1.803 26059 2956 1 5 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.388 0.172 26059 2957 1 5 . 1 1 11 11 GLN C C 11 175.400 175.400 175.322 0.078 26059 2958 1 5 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.399 -0.276 26059 2959 1 5 . 1 1 11 11 GLN CB C 11 32.029 32.029 31.493 0.536 26059 2960 1 5 . 1 1 11 11 GLN H H 11 8.636 8.636 8.408 0.228 26059 2961 1 5 . 1 1 12 12 VAL N N 12 119.106 119.106 117.848 1.258 26059 2962 1 5 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.422 0.208 26059 2963 1 5 . 1 1 12 12 VAL C C 12 173.800 173.800 174.510 -0.710 26059 2964 1 5 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.519 0.281 26059 2965 1 5 . 1 1 12 12 VAL CB C 12 35.711 35.711 34.186 1.525 26059 2966 1 5 . 1 1 12 12 VAL H H 12 8.827 8.827 8.729 0.098 26059 2967 1 5 . 1 1 13 13 LYS N N 13 121.700 121.700 121.699 0.001 26059 2968 1 5 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.238 -0.038 26059 2969 1 5 . 1 1 13 13 LYS C C 13 175.030 175.030 175.399 -0.369 26059 2970 1 5 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.047 0.383 26059 2971 1 5 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.295 0.625 26059 2972 1 5 . 1 1 13 13 LYS H H 13 8.234 8.234 8.456 -0.222 26059 2973 1 5 . 1 1 14 14 LEU N N 14 119.100 119.100 123.679 -4.579 26059 2974 1 5 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.240 -0.290 26059 2975 1 5 . 1 1 14 14 LEU C C 14 175.110 175.110 175.494 -0.384 26059 2976 1 5 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.327 0.030 26059 2977 1 5 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.733 1.188 26059 2978 1 5 . 1 1 14 14 LEU H H 14 8.840 8.840 8.370 0.470 26059 2979 1 5 . 1 1 15 15 GLU N N 15 120.978 120.978 123.381 -2.403 26059 2980 1 5 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.344 -0.354 26059 2981 1 5 . 1 1 15 15 GLU C C 15 173.800 173.800 174.855 -1.055 26059 2982 1 5 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.262 1.166 26059 2983 1 5 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.815 -0.989 26059 2984 1 5 . 1 1 15 15 GLU H H 15 9.181 9.181 9.264 -0.083 26059 2985 1 5 . 1 1 16 16 LEU N N 16 124.438 124.438 127.129 -2.691 26059 2986 1 5 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.191 -0.081 26059 2987 1 5 . 1 1 16 16 LEU C C 16 174.700 174.700 176.017 -1.317 26059 2988 1 5 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.886 0.190 26059 2989 1 5 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.184 3.708 26059 2990 1 5 . 1 1 16 16 LEU H H 16 8.891 8.891 8.190 0.701 26059 2991 1 5 . 1 1 17 17 GLY N N 17 108.067 108.067 111.098 -3.031 26059 2992 1 5 . 1 1 17 17 GLY C C 17 170.350 170.350 171.674 -1.324 26059 2993 1 5 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.441 2.543 26059 2994 1 5 . 1 1 17 17 GLY H H 17 7.227 7.227 8.924 -1.697 26059 2995 1 5 . 1 1 18 18 HIS N N 18 111.200 111.200 116.804 -5.604 26059 2996 1 5 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.154 0.466 26059 2997 1 5 . 1 1 18 18 HIS C C 18 172.400 172.400 172.617 -0.217 26059 2998 1 5 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.879 0.061 26059 2999 1 5 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.506 1.654 26059 3000 1 5 . 1 1 18 18 HIS H H 18 8.150 8.150 8.621 -0.471 26059 3001 1 5 . 1 1 19 19 ARG N N 19 117.800 117.800 120.812 -3.012 26059 3002 1 5 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.347 -0.247 26059 3003 1 5 . 1 1 19 19 ARG C C 19 175.800 175.800 174.510 1.290 26059 3004 1 5 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.158 -0.658 26059 3005 1 5 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.453 0.197 26059 3006 1 5 . 1 1 19 19 ARG H H 19 9.010 9.010 8.627 0.383 26059 3007 1 5 . 1 1 20 20 ALA N N 20 120.390 120.390 124.898 -4.508 26059 3008 1 5 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.373 0.167 26059 3009 1 5 . 1 1 20 20 ALA C C 20 175.800 175.800 175.105 0.695 26059 3010 1 5 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.836 0.754 26059 3011 1 5 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.753 0.997 26059 3012 1 5 . 1 1 20 20 ALA H H 20 8.070 8.070 8.800 -0.730 26059 3013 1 5 . 1 1 21 21 GLN N N 21 121.790 121.790 121.944 -0.154 26059 3014 1 5 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.010 0.220 26059 3015 1 5 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.739 0.591 26059 3016 1 5 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.864 0.036 26059 3017 1 5 . 1 1 21 21 GLN H H 21 9.240 9.240 8.461 0.779 26059 3018 1 5 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.208 -0.578 26059 3019 1 5 . 1 1 22 22 VAL C C 22 176.500 176.500 175.433 1.067 26059 3020 1 5 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.039 2.991 26059 3021 1 5 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.008 -2.409 26059 3022 1 5 . 1 1 23 23 ARG N N 23 127.840 127.840 125.305 2.535 26059 3023 1 5 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.565 -0.435 26059 3024 1 5 . 1 1 23 23 ARG CA C 23 56.200 56.200 55.104 1.096 26059 3025 1 5 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.017 1.133 26059 3026 1 5 . 1 1 23 23 ARG H H 23 8.720 8.720 8.831 -0.111 26059 3027 1 5 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.137 -0.097 26059 3028 1 5 . 1 1 24 24 LYS C C 24 176.960 176.960 176.322 0.638 26059 3029 1 5 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.910 0.890 26059 3030 1 5 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.675 -0.615 26059 3031 1 5 . 1 1 25 25 LYS N N 25 115.870 115.870 119.003 -3.133 26059 3032 1 5 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.700 0.130 26059 3033 1 5 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.561 -0.601 26059 3034 1 5 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.711 1.369 26059 3035 1 5 . 1 1 25 25 LYS H H 25 7.720 7.720 7.590 0.130 26059 3036 1 5 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.528 0.302 26059 3037 1 5 . 1 1 26 26 PRO C C 26 177.400 177.400 176.913 0.487 26059 3038 1 5 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.151 -0.501 26059 3039 1 5 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.217 0.173 26059 3040 1 5 . 1 1 27 27 THR N N 27 111.270 111.270 115.159 -3.889 26059 3041 1 5 . 1 1 27 27 THR HA H 27 4.530 4.530 4.234 0.296 26059 3042 1 5 . 1 1 27 27 THR C C 27 177.300 177.300 177.018 0.282 26059 3043 1 5 . 1 1 27 27 THR CA C 27 61.300 61.300 61.485 -0.185 26059 3044 1 5 . 1 1 27 27 THR CB C 27 71.460 71.460 69.873 1.587 26059 3045 1 5 . 1 1 27 27 THR H H 27 8.380 8.380 8.277 0.103 26059 3046 1 5 . 1 1 28 28 VAL N N 28 121.170 121.170 118.480 2.690 26059 3047 1 5 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.956 -0.073 26059 3048 1 5 . 1 1 28 28 VAL C C 28 177.030 177.030 176.115 0.915 26059 3049 1 5 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.663 0.537 26059 3050 1 5 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.483 -0.083 26059 3051 1 5 . 1 1 28 28 VAL H H 28 8.910 8.910 8.458 0.452 26059 3052 1 5 . 1 1 29 29 GLU N N 29 116.800 116.800 120.521 -3.721 26059 3053 1 5 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.047 -0.127 26059 3054 1 5 . 1 1 29 29 GLU C C 29 176.200 176.200 176.621 -0.421 26059 3055 1 5 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.564 1.686 26059 3056 1 5 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.182 -0.012 26059 3057 1 5 . 1 1 29 29 GLU H H 29 7.990 7.990 7.991 -0.001 26059 3058 1 5 . 1 1 30 30 GLY N N 30 105.500 105.500 107.697 -2.197 26059 3059 1 5 . 1 1 30 30 GLY C C 30 174.900 174.900 173.855 1.045 26059 3060 1 5 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.295 -0.835 26059 3061 1 5 . 1 1 30 30 GLY H H 30 7.950 7.950 7.545 0.405 26059 3062 1 5 . 1 1 31 31 PHE N N 31 119.300 119.300 118.723 0.577 26059 3063 1 5 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.892 -0.132 26059 3064 1 5 . 1 1 31 31 PHE C C 31 176.400 176.400 176.233 0.167 26059 3065 1 5 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.634 1.266 26059 3066 1 5 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.762 -4.262 26059 3067 1 5 . 1 1 31 31 PHE H H 31 7.520 7.520 7.464 0.056 26059 3068 1 5 . 1 1 32 32 THR N N 32 112.300 112.300 116.389 -4.089 26059 3069 1 5 . 1 1 32 32 THR HA H 32 4.330 4.330 4.364 -0.034 26059 3070 1 5 . 1 1 32 32 THR C C 32 175.200 175.200 174.463 0.737 26059 3071 1 5 . 1 1 32 32 THR CA C 32 62.780 62.780 63.276 -0.496 26059 3072 1 5 . 1 1 32 32 THR CB C 32 70.350 70.350 69.622 0.728 26059 3073 1 5 . 1 1 32 32 THR H H 32 7.770 7.770 8.873 -1.103 26059 3074 1 5 . 1 1 33 33 HIS N N 33 121.900 121.900 120.960 0.940 26059 3075 1 5 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.381 0.119 26059 3076 1 5 . 1 1 33 33 HIS C C 33 173.880 173.880 173.742 0.138 26059 3077 1 5 . 1 1 33 33 HIS CA C 33 56.780 56.780 56.147 0.633 26059 3078 1 5 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.179 2.461 26059 3079 1 5 . 1 1 33 33 HIS H H 33 9.110 9.110 8.823 0.287 26059 3080 1 5 . 1 1 34 34 ASP N N 34 120.300 120.300 122.506 -2.206 26059 3081 1 5 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.565 -0.165 26059 3082 1 5 . 1 1 34 34 ASP C C 34 175.100 175.100 175.351 -0.251 26059 3083 1 5 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.353 -0.043 26059 3084 1 5 . 1 1 34 34 ASP CB C 34 43.000 43.000 42.777 0.223 26059 3085 1 5 . 1 1 34 34 ASP H H 34 8.810 8.810 8.559 0.251 26059 3086 1 5 . 1 1 35 35 TRP N N 35 119.800 119.800 121.805 -2.005 26059 3087 1 5 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.660 0.070 26059 3088 1 5 . 1 1 35 35 TRP C C 35 174.900 174.900 173.674 1.226 26059 3089 1 5 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.381 0.519 26059 3090 1 5 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.882 1.788 26059 3091 1 5 . 1 1 35 35 TRP H H 35 9.250 9.250 8.773 0.477 26059 3092 1 5 . 1 1 36 36 MET N N 36 120.980 120.980 124.277 -3.297 26059 3093 1 5 . 1 1 36 36 MET HA H 36 5.750 5.750 5.900 -0.150 26059 3094 1 5 . 1 1 36 36 MET C C 36 173.700 173.700 174.870 -1.170 26059 3095 1 5 . 1 1 36 36 MET CA C 36 54.830 54.830 53.746 1.084 26059 3096 1 5 . 1 1 36 36 MET CB C 36 35.220 35.220 35.780 -0.560 26059 3097 1 5 . 1 1 36 36 MET H H 36 9.080 9.080 8.938 0.142 26059 3098 1 5 . 1 1 37 37 VAL N N 37 126.220 126.220 122.442 3.778 26059 3099 1 5 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.119 0.191 26059 3100 1 5 . 1 1 37 37 VAL C C 37 172.300 172.300 174.513 -2.213 26059 3101 1 5 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.737 -1.197 26059 3102 1 5 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.052 2.018 26059 3103 1 5 . 1 1 37 37 VAL H H 37 9.080 9.080 8.878 0.202 26059 3104 1 5 . 1 1 38 38 PHE N N 38 120.640 120.640 119.060 1.580 26059 3105 1 5 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.060 -0.090 26059 3106 1 5 . 1 1 38 38 PHE C C 38 172.960 172.960 173.612 -0.652 26059 3107 1 5 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.511 0.619 26059 3108 1 5 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.571 0.429 26059 3109 1 5 . 1 1 38 38 PHE H H 38 8.320 8.320 8.732 -0.412 26059 3110 1 5 . 1 1 39 39 VAL N N 39 116.500 116.500 117.930 -1.430 26059 3111 1 5 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.896 -0.886 26059 3112 1 5 . 1 1 39 39 VAL C C 39 174.700 174.700 174.634 0.066 26059 3113 1 5 . 1 1 39 39 VAL CA C 39 61.640 61.640 59.743 1.897 26059 3114 1 5 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.435 -0.035 26059 3115 1 5 . 1 1 39 39 VAL H H 39 8.580 8.580 9.108 -0.528 26059 3116 1 5 . 1 1 40 40 ARG N N 40 124.100 124.100 121.098 3.002 26059 3117 1 5 . 1 1 40 40 ARG HA H 40 5.080 5.080 4.844 0.236 26059 3118 1 5 . 1 1 40 40 ARG C C 40 173.800 173.800 174.504 -0.704 26059 3119 1 5 . 1 1 40 40 ARG CA C 40 54.300 54.300 54.861 -0.561 26059 3120 1 5 . 1 1 40 40 ARG CB C 40 33.580 33.580 31.827 1.753 26059 3121 1 5 . 1 1 40 40 ARG H H 40 9.880 9.880 8.511 1.369 26059 3122 1 5 . 1 1 41 41 GLY N N 41 107.640 107.640 106.806 0.834 26059 3123 1 5 . 1 1 41 41 GLY CA C 41 43.970 43.970 43.035 0.935 26059 3124 1 5 . 1 1 41 41 GLY H H 41 8.910 8.910 8.008 0.902 26059 3125 1 5 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.424 0.066 26059 3126 1 5 . 1 1 42 42 PRO C C 42 177.300 177.300 175.944 1.356 26059 3127 1 5 . 1 1 42 42 PRO CA C 42 62.440 62.440 62.986 -0.546 26059 3128 1 5 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.404 0.706 26059 3129 1 5 . 1 1 43 43 GLU N N 43 121.050 121.050 124.997 -3.947 26059 3130 1 5 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.994 -0.204 26059 3131 1 5 . 1 1 43 43 GLU C C 43 176.110 176.110 176.093 0.017 26059 3132 1 5 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.782 0.068 26059 3133 1 5 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.420 0.430 26059 3134 1 5 . 1 1 43 43 GLU H H 43 9.060 9.060 9.022 0.038 26059 3135 1 5 . 1 1 44 44 HIS N N 44 114.100 114.100 114.938 -0.838 26059 3136 1 5 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.145 0.206 26059 3137 1 5 . 1 1 44 44 HIS C C 44 175.170 175.170 174.307 0.863 26059 3138 1 5 . 1 1 44 44 HIS CA C 44 57.650 57.650 56.832 0.818 26059 3139 1 5 . 1 1 44 44 HIS CB C 44 28.370 28.370 29.472 -1.102 26059 3140 1 5 . 1 1 44 44 HIS H H 44 8.420 8.420 8.946 -0.526 26059 3141 1 5 . 1 1 45 45 SER N N 45 115.540 115.540 117.322 -1.782 26059 3142 1 5 . 1 1 45 45 SER HA H 45 4.560 4.560 4.259 0.301 26059 3143 1 5 . 1 1 45 45 SER C C 45 173.700 173.700 173.683 0.017 26059 3144 1 5 . 1 1 45 45 SER CA C 45 58.710 58.710 59.271 -0.561 26059 3145 1 5 . 1 1 45 45 SER CB C 45 64.500 64.500 63.766 0.734 26059 3146 1 5 . 1 1 45 45 SER H H 45 7.870 7.870 7.710 0.160 26059 3147 1 5 . 1 1 46 46 ASN N N 46 123.900 123.900 123.851 0.049 26059 3148 1 5 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.676 0.444 26059 3149 1 5 . 1 1 46 46 ASN C C 46 176.300 176.300 175.581 0.719 26059 3150 1 5 . 1 1 46 46 ASN CA C 46 52.690 52.690 52.865 -0.175 26059 3151 1 5 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.533 -0.803 26059 3152 1 5 . 1 1 46 46 ASN H H 46 9.480 9.480 8.616 0.864 26059 3153 1 5 . 1 1 47 47 ILE N N 47 115.240 115.240 119.365 -4.125 26059 3154 1 5 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.081 -0.141 26059 3155 1 5 . 1 1 47 47 ILE C C 47 176.000 176.000 176.528 -0.528 26059 3156 1 5 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.346 1.855 26059 3157 1 5 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.047 -0.347 26059 3158 1 5 . 1 1 47 47 ILE H H 47 8.170 8.170 8.480 -0.310 26059 3159 1 5 . 1 1 48 48 GLN N N 48 123.200 123.200 120.206 2.994 26059 3160 1 5 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.240 0.040 26059 3161 1 5 . 1 1 48 48 GLN C C 48 175.670 175.670 177.084 -1.414 26059 3162 1 5 . 1 1 48 48 GLN CA C 48 57.900 57.900 57.753 0.147 26059 3163 1 5 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.878 -0.888 26059 3164 1 5 . 1 1 48 48 GLN H H 48 8.850 8.850 8.080 0.770 26059 3165 1 5 . 1 1 49 49 HIS N N 49 115.400 115.400 118.790 -3.390 26059 3166 1 5 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.344 0.226 26059 3167 1 5 . 1 1 49 49 HIS C C 49 176.380 176.380 176.938 -0.558 26059 3168 1 5 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.883 -1.133 26059 3169 1 5 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.365 1.255 26059 3170 1 5 . 1 1 49 49 HIS H H 49 7.400 7.400 7.847 -0.447 26059 3171 1 5 . 1 1 50 50 PHE N N 50 109.800 109.800 113.798 -3.998 26059 3172 1 5 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.805 0.425 26059 3173 1 5 . 1 1 50 50 PHE C C 50 173.800 173.800 174.785 -0.985 26059 3174 1 5 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.154 -0.494 26059 3175 1 5 . 1 1 50 50 PHE CB C 50 41.000 41.000 39.613 1.387 26059 3176 1 5 . 1 1 50 50 PHE H H 50 7.570 7.570 7.640 -0.070 26059 3177 1 5 . 1 1 51 51 VAL N N 51 127.810 127.810 121.138 6.672 26059 3178 1 5 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.697 -0.327 26059 3179 1 5 . 1 1 51 51 VAL C C 51 174.500 174.500 175.606 -1.106 26059 3180 1 5 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.782 0.218 26059 3181 1 5 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.762 0.518 26059 3182 1 5 . 1 1 51 51 VAL H H 51 7.810 7.810 8.122 -0.312 26059 3183 1 5 . 1 1 52 52 GLU N N 52 130.700 130.700 129.174 1.526 26059 3184 1 5 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.485 -0.505 26059 3185 1 5 . 1 1 52 52 GLU C C 52 175.400 175.400 175.514 -0.114 26059 3186 1 5 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.197 0.803 26059 3187 1 5 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.715 -0.135 26059 3188 1 5 . 1 1 52 52 GLU H H 52 9.380 9.380 9.037 0.343 26059 3189 1 5 . 1 1 53 53 LYS N N 53 109.200 109.200 117.797 -8.597 26059 3190 1 5 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.753 0.047 26059 3191 1 5 . 1 1 53 53 LYS C C 53 172.300 172.300 174.164 -1.864 26059 3192 1 5 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.859 -0.019 26059 3193 1 5 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.782 -1.532 26059 3194 1 5 . 1 1 53 53 LYS H H 53 7.190 7.190 7.468 -0.278 26059 3195 1 5 . 1 1 54 54 VAL N N 54 120.380 120.380 120.966 -0.586 26059 3196 1 5 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.812 -0.042 26059 3197 1 5 . 1 1 54 54 VAL C C 54 173.600 173.600 173.810 -0.210 26059 3198 1 5 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.276 0.764 26059 3199 1 5 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.789 -1.089 26059 3200 1 5 . 1 1 54 54 VAL H H 54 8.450 8.450 8.440 0.010 26059 3201 1 5 . 1 1 55 55 VAL N N 55 126.920 126.920 121.780 5.140 26059 3202 1 5 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.184 -0.484 26059 3203 1 5 . 1 1 55 55 VAL C C 55 173.800 173.800 173.385 0.415 26059 3204 1 5 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.598 1.272 26059 3205 1 5 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.771 -1.671 26059 3206 1 5 . 1 1 55 55 VAL H H 55 9.260 9.260 8.422 0.838 26059 3207 1 5 . 1 1 56 56 PHE N N 56 126.130 126.130 127.521 -1.391 26059 3208 1 5 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.866 -0.144 26059 3209 1 5 . 1 1 56 56 PHE C C 56 174.000 174.000 174.947 -0.947 26059 3210 1 5 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.074 0.506 26059 3211 1 5 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.141 0.749 26059 3212 1 5 . 1 1 56 56 PHE H H 56 9.290 9.290 9.011 0.279 26059 3213 1 5 . 1 1 57 57 HIS N N 57 124.180 124.180 125.150 -0.970 26059 3214 1 5 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.849 -0.049 26059 3215 1 5 . 1 1 57 57 HIS C C 57 174.700 174.700 175.230 -0.530 26059 3216 1 5 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.769 -1.449 26059 3217 1 5 . 1 1 57 57 HIS CB C 57 30.100 30.100 27.973 2.127 26059 3218 1 5 . 1 1 57 57 HIS H H 57 8.690 8.690 8.286 0.404 26059 3219 1 5 . 1 1 58 58 LEU N N 58 122.050 122.050 124.346 -2.296 26059 3220 1 5 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.536 -0.226 26059 3221 1 5 . 1 1 58 58 LEU C C 58 174.400 174.400 176.926 -2.526 26059 3222 1 5 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.556 0.854 26059 3223 1 5 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.749 -1.589 26059 3224 1 5 . 1 1 58 58 LEU H H 58 9.050 9.050 8.726 0.324 26059 3225 1 5 . 1 1 59 59 HIS N N 59 118.510 118.510 117.999 0.511 26059 3226 1 5 . 1 1 59 59 HIS C C 59 175.300 175.300 176.827 -1.527 26059 3227 1 5 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.718 3.392 26059 3228 1 5 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.720 -0.790 26059 3229 1 5 . 1 1 59 59 HIS H H 59 5.160 5.160 8.007 -2.847 26059 3230 1 5 . 1 1 60 60 GLU N N 60 122.190 122.190 123.546 -1.356 26059 3231 1 5 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.055 -0.095 26059 3232 1 5 . 1 1 60 60 GLU C C 60 175.130 175.130 177.393 -2.263 26059 3233 1 5 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.311 -0.301 26059 3234 1 5 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.799 0.021 26059 3235 1 5 . 1 1 60 60 GLU H H 60 7.960 7.960 8.550 -0.590 26059 3236 1 5 . 1 1 61 61 SER N N 61 116.940 116.940 113.550 3.390 26059 3237 1 5 . 1 1 61 61 SER HA H 61 4.200 4.200 4.344 -0.144 26059 3238 1 5 . 1 1 61 61 SER CA C 61 60.010 60.010 59.605 0.405 26059 3239 1 5 . 1 1 61 61 SER CB C 61 63.140 63.140 63.545 -0.405 26059 3240 1 5 . 1 1 61 61 SER H H 61 8.540 8.540 8.102 0.438 26059 3241 1 5 . 1 1 62 62 PHE N N 62 123.700 123.700 121.849 1.851 26059 3242 1 5 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.717 -0.127 26059 3243 1 5 . 1 1 62 62 PHE CA C 62 57.400 57.400 56.116 1.284 26059 3244 1 5 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.147 -0.747 26059 3245 1 5 . 1 1 62 62 PHE H H 62 8.640 8.640 8.057 0.583 26059 3246 1 5 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.521 -0.111 26059 3247 1 5 . 1 1 63 63 PRO C C 63 176.400 176.400 176.282 0.118 26059 3248 1 5 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.328 -0.728 26059 3249 1 5 . 1 1 63 63 PRO CB C 63 31.860 31.860 31.932 -0.072 26059 3250 1 5 . 1 1 64 64 ARG N N 64 116.840 116.840 121.462 -4.622 26059 3251 1 5 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.110 -0.010 26059 3252 1 5 . 1 1 64 64 ARG CA C 64 55.610 55.610 55.971 -0.360 26059 3253 1 5 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.810 0.020 26059 3254 1 5 . 1 1 64 64 ARG H H 64 8.890 8.890 8.803 0.087 26059 3255 1 5 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.336 -0.346 26059 3256 1 5 . 1 1 65 65 PRO C C 65 175.800 175.800 176.810 -1.010 26059 3257 1 5 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.725 1.085 26059 3258 1 5 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.210 -0.330 26059 3259 1 5 . 1 1 66 66 LYS N N 66 119.035 119.035 119.626 -0.591 26059 3260 1 5 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.432 0.178 26059 3261 1 5 . 1 1 66 66 LYS C C 66 175.400 175.400 175.664 -0.264 26059 3262 1 5 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.440 0.013 26059 3263 1 5 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.984 -1.254 26059 3264 1 5 . 1 1 66 66 LYS H H 66 7.630 7.630 7.965 -0.335 26059 3265 1 5 . 1 1 67 67 ARG N N 67 127.394 127.394 128.210 -0.816 26059 3266 1 5 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.637 0.103 26059 3267 1 5 . 1 1 67 67 ARG C C 67 174.500 174.500 175.221 -0.721 26059 3268 1 5 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.766 0.034 26059 3269 1 5 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.847 -0.133 26059 3270 1 5 . 1 1 67 67 ARG H H 67 8.855 8.855 8.409 0.446 26059 3271 1 5 . 1 1 68 68 VAL N N 68 124.388 124.388 121.079 3.309 26059 3272 1 5 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.175 -0.595 26059 3273 1 5 . 1 1 68 68 VAL C C 68 176.850 176.850 175.889 0.961 26059 3274 1 5 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.401 1.671 26059 3275 1 5 . 1 1 68 68 VAL CB C 68 33.604 33.604 32.832 0.772 26059 3276 1 5 . 1 1 68 68 VAL H H 68 8.681 8.681 8.309 0.372 26059 3277 1 5 . 1 1 69 69 CYS N N 69 127.080 127.080 128.449 -1.369 26059 3278 1 5 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.836 0.234 26059 3279 1 5 . 1 1 69 69 CYS CA C 69 58.346 58.346 58.557 -0.211 26059 3280 1 5 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.665 0.506 26059 3281 1 5 . 1 1 69 69 CYS H H 69 9.455 9.455 9.135 0.320 26059 3282 1 5 . 1 1 70 70 LYS N N 70 125.480 125.480 124.389 1.091 26059 3283 1 5 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.587 -0.097 26059 3284 1 5 . 1 1 70 70 LYS C C 70 174.300 174.300 176.635 -2.335 26059 3285 1 5 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.295 0.065 26059 3286 1 5 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.479 -0.309 26059 3287 1 5 . 1 1 70 70 LYS H H 70 9.050 9.050 8.638 0.412 26059 3288 1 5 . 1 1 71 71 ASP N N 71 116.940 116.940 121.185 -4.245 26059 3289 1 5 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.769 0.331 26059 3290 1 5 . 1 1 71 71 ASP CA C 71 51.080 51.080 52.175 -1.095 26059 3291 1 5 . 1 1 71 71 ASP CB C 71 43.380 43.380 41.459 1.921 26059 3292 1 5 . 1 1 71 71 ASP H H 71 7.620 7.620 8.033 -0.413 26059 3293 1 5 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.091 -0.831 26059 3294 1 5 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.969 -2.319 26059 3295 1 5 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.727 -0.687 26059 3296 1 5 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.942 0.158 26059 3297 1 5 . 1 1 73 73 PRO C C 73 174.700 174.700 176.469 -1.769 26059 3298 1 5 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.814 -2.124 26059 3299 1 5 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.538 2.502 26059 3300 1 5 . 1 1 74 74 TYR N N 74 125.400 125.400 124.946 0.454 26059 3301 1 5 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.402 0.448 26059 3302 1 5 . 1 1 74 74 TYR C C 74 172.900 172.900 175.355 -2.455 26059 3303 1 5 . 1 1 74 74 TYR CA C 74 55.670 55.670 58.893 -3.223 26059 3304 1 5 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.650 -1.250 26059 3305 1 5 . 1 1 74 74 TYR H H 74 8.960 8.960 8.284 0.676 26059 3306 1 5 . 1 1 75 75 LYS N N 75 121.400 121.400 119.838 1.562 26059 3307 1 5 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.540 0.050 26059 3308 1 5 . 1 1 75 75 LYS C C 75 173.800 173.800 175.019 -1.219 26059 3309 1 5 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.231 0.419 26059 3310 1 5 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.157 -1.267 26059 3311 1 5 . 1 1 75 75 LYS H H 75 7.670 7.670 8.095 -0.425 26059 3312 1 5 . 1 1 76 76 VAL N N 76 119.800 119.800 122.876 -3.076 26059 3313 1 5 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.306 -0.416 26059 3314 1 5 . 1 1 76 76 VAL C C 76 173.900 173.900 174.480 -0.580 26059 3315 1 5 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.529 1.200 26059 3316 1 5 . 1 1 76 76 VAL CB C 76 35.540 35.540 34.944 0.596 26059 3317 1 5 . 1 1 76 76 VAL H H 76 8.180 8.180 8.519 -0.339 26059 3318 1 5 . 1 1 77 77 GLU N N 77 126.190 126.190 126.573 -0.383 26059 3319 1 5 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.018 -0.068 26059 3320 1 5 . 1 1 77 77 GLU C C 77 174.700 174.700 175.363 -0.663 26059 3321 1 5 . 1 1 77 77 GLU CA C 77 54.940 54.940 55.002 -0.062 26059 3322 1 5 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.318 0.232 26059 3323 1 5 . 1 1 77 77 GLU H H 77 8.270 8.270 8.749 -0.479 26059 3324 1 5 . 1 1 78 78 GLU N N 78 126.180 126.180 124.195 1.985 26059 3325 1 5 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.614 -0.164 26059 3326 1 5 . 1 1 78 78 GLU C C 78 175.400 175.400 173.754 1.646 26059 3327 1 5 . 1 1 78 78 GLU CA C 78 54.000 54.000 53.478 0.522 26059 3328 1 5 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.435 3.665 26059 3329 1 5 . 1 1 78 78 GLU H H 78 7.870 7.870 7.996 -0.126 26059 3330 1 5 . 1 1 79 79 SER N N 79 112.109 112.109 114.446 -2.337 26059 3331 1 5 . 1 1 79 79 SER HA H 79 5.560 5.560 5.650 -0.090 26059 3332 1 5 . 1 1 79 79 SER C C 79 172.490 172.490 173.464 -0.974 26059 3333 1 5 . 1 1 79 79 SER CA C 79 57.754 57.754 56.087 1.667 26059 3334 1 5 . 1 1 79 79 SER CB C 79 65.861 65.861 65.698 0.163 26059 3335 1 5 . 1 1 79 79 SER H H 79 7.714 7.714 8.395 -0.681 26059 3336 1 5 . 1 1 80 80 GLY N N 80 106.048 106.048 110.782 -4.734 26059 3337 1 5 . 1 1 80 80 GLY C C 80 172.630 172.630 172.028 0.602 26059 3338 1 5 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.395 0.305 26059 3339 1 5 . 1 1 80 80 GLY H H 80 8.828 8.828 8.740 0.088 26059 3340 1 5 . 1 1 81 81 TYR N N 81 115.280 115.280 116.183 -0.903 26059 3341 1 5 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.417 0.263 26059 3342 1 5 . 1 1 81 81 TYR C C 81 174.100 174.100 174.242 -0.142 26059 3343 1 5 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.065 -1.565 26059 3344 1 5 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.609 0.391 26059 3345 1 5 . 1 1 81 81 TYR H H 81 8.770 8.770 7.989 0.781 26059 3346 1 5 . 1 1 82 82 ALA N N 82 122.350 122.350 122.372 -0.022 26059 3347 1 5 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.560 -0.120 26059 3348 1 5 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.320 -0.280 26059 3349 1 5 . 1 1 82 82 ALA CB C 82 22.400 22.400 21.144 1.256 26059 3350 1 5 . 1 1 82 82 ALA H H 82 7.160 7.160 7.091 0.069 26059 3351 1 5 . 1 1 83 83 GLY N N 83 107.100 107.100 108.232 -1.132 26059 3352 1 5 . 1 1 83 83 GLY C C 83 172.500 172.500 173.574 -1.074 26059 3353 1 5 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.419 0.191 26059 3354 1 5 . 1 1 83 83 GLY H H 83 8.220 8.220 8.280 -0.060 26059 3355 1 5 . 1 1 84 84 PHE N N 84 111.660 111.660 115.420 -3.760 26059 3356 1 5 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.611 0.079 26059 3357 1 5 . 1 1 84 84 PHE C C 84 172.460 172.460 173.586 -1.126 26059 3358 1 5 . 1 1 84 84 PHE CA C 84 56.500 56.500 56.330 0.170 26059 3359 1 5 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.806 -1.226 26059 3360 1 5 . 1 1 84 84 PHE H H 84 7.700 7.700 8.178 -0.478 26059 3361 1 5 . 1 1 85 85 ILE N N 85 117.810 117.810 121.866 -4.056 26059 3362 1 5 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.025 0.285 26059 3363 1 5 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.580 -1.240 26059 3364 1 5 . 1 1 85 85 ILE CB C 85 35.260 35.260 37.054 -1.794 26059 3365 1 5 . 1 1 85 85 ILE H H 85 8.340 8.340 8.431 -0.091 26059 3366 1 5 . 1 1 86 86 LEU N N 86 108.130 108.130 129.055 -20.925 26059 3367 1 5 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.919 0.061 26059 3368 1 5 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.666 2.534 26059 3369 1 5 . 1 1 86 86 LEU CB C 86 45.300 45.300 44.341 0.959 26059 3370 1 5 . 1 1 86 86 LEU H H 86 9.900 9.900 8.734 1.166 26059 3371 1 5 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.494 0.606 26059 3372 1 5 . 1 1 87 87 PRO C C 87 175.340 175.340 175.842 -0.502 26059 3373 1 5 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.126 -0.016 26059 3374 1 5 . 1 1 87 87 PRO CB C 87 31.560 31.560 30.862 0.698 26059 3375 1 5 . 1 1 88 88 ILE N N 88 126.000 126.000 127.121 -1.121 26059 3376 1 5 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.495 0.295 26059 3377 1 5 . 1 1 88 88 ILE C C 88 176.100 176.100 175.024 1.076 26059 3378 1 5 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.468 0.092 26059 3379 1 5 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.413 2.587 26059 3380 1 5 . 1 1 88 88 ILE H H 88 9.380 9.380 8.493 0.887 26059 3381 1 5 . 1 1 89 89 GLU N N 89 123.900 123.900 128.132 -4.232 26059 3382 1 5 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.187 0.013 26059 3383 1 5 . 1 1 89 89 GLU C C 89 173.800 173.800 175.436 -1.636 26059 3384 1 5 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.325 -0.355 26059 3385 1 5 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.928 2.452 26059 3386 1 5 . 1 1 89 89 GLU H H 89 9.320 9.320 8.442 0.878 26059 3387 1 5 . 1 1 90 90 VAL N N 90 123.980 123.980 124.669 -0.689 26059 3388 1 5 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.878 0.282 26059 3389 1 5 . 1 1 90 90 VAL C C 90 174.800 174.800 174.558 0.242 26059 3390 1 5 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.847 -0.457 26059 3391 1 5 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.562 -0.072 26059 3392 1 5 . 1 1 90 90 VAL H H 90 8.630 8.630 8.062 0.568 26059 3393 1 5 . 1 1 91 91 TYR N N 91 124.230 124.230 126.558 -2.328 26059 3394 1 5 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.803 -0.143 26059 3395 1 5 . 1 1 91 91 TYR C C 91 176.800 176.800 175.714 1.086 26059 3396 1 5 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.413 -0.713 26059 3397 1 5 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.645 0.595 26059 3398 1 5 . 1 1 91 91 TYR H H 91 8.640 8.640 9.043 -0.403 26059 3399 1 5 . 1 1 92 92 PHE N N 92 121.200 121.200 121.612 -0.412 26059 3400 1 5 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.290 0.370 26059 3401 1 5 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.165 1.345 26059 3402 1 5 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.701 -0.701 26059 3403 1 5 . 1 1 92 92 PHE H H 92 8.750 8.750 8.961 -0.211 26059 3404 1 5 . 1 1 93 93 LYS N N 93 123.450 123.450 122.852 0.598 26059 3405 1 5 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.589 0.011 26059 3406 1 5 . 1 1 93 93 LYS C C 93 174.200 174.200 175.654 -1.454 26059 3407 1 5 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.649 -0.469 26059 3408 1 5 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.672 0.008 26059 3409 1 5 . 1 1 93 93 LYS H H 93 8.560 8.560 8.990 -0.430 26059 3410 1 5 . 1 1 94 94 ASN N N 94 118.800 118.800 122.834 -4.034 26059 3411 1 5 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.970 -0.530 26059 3412 1 5 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.469 -1.259 26059 3413 1 5 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.458 -1.658 26059 3414 1 5 . 1 1 94 94 ASN H H 94 7.820 7.820 8.200 -0.380 26059 3415 1 5 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.563 -0.233 26059 3416 1 5 . 1 1 95 95 LYS C C 95 175.800 175.800 175.954 -0.154 26059 3417 1 5 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.837 -0.627 26059 3418 1 5 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.981 0.029 26059 3419 1 5 . 1 1 96 96 GLU N N 96 118.330 118.330 121.519 -3.189 26059 3420 1 5 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.361 0.149 26059 3421 1 5 . 1 1 96 96 GLU C C 96 173.200 173.200 175.987 -2.787 26059 3422 1 5 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.730 -0.630 26059 3423 1 5 . 1 1 96 96 GLU CB C 96 31.470 31.470 29.801 1.669 26059 3424 1 5 . 1 1 96 96 GLU H H 96 7.120 7.120 7.593 -0.473 26059 3425 1 5 . 1 1 97 97 GLU N N 97 115.630 115.630 120.131 -4.501 26059 3426 1 5 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.109 0.321 26059 3427 1 5 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.651 -1.792 26059 3428 1 5 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.559 0.711 26059 3429 1 5 . 1 1 97 97 GLU H H 97 8.060 8.060 8.326 -0.266 26059 3430 1 5 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.239 0.761 26059 3431 1 5 . 1 1 98 98 PRO C C 98 175.900 175.900 176.849 -0.949 26059 3432 1 5 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.121 -1.961 26059 3433 1 5 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.882 2.118 26059 3434 1 5 . 1 1 99 99 ARG N N 99 122.800 122.800 120.306 2.494 26059 3435 1 5 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.455 0.175 26059 3436 1 5 . 1 1 99 99 ARG C C 99 175.800 175.800 175.632 0.168 26059 3437 1 5 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.872 0.328 26059 3438 1 5 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.369 0.041 26059 3439 1 5 . 1 1 99 99 ARG H H 99 8.602 8.602 8.658 -0.056 26059 3440 1 5 . 1 1 100 100 LYS N N 100 113.220 113.220 116.048 -2.828 26059 3441 1 5 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.803 0.137 26059 3442 1 5 . 1 1 100 100 LYS C C 100 174.100 174.100 174.579 -0.479 26059 3443 1 5 . 1 1 100 100 LYS CA C 100 53.391 53.391 54.064 -0.673 26059 3444 1 5 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.528 -0.808 26059 3445 1 5 . 1 1 100 100 LYS H H 100 7.650 7.650 7.288 0.362 26059 3446 1 5 . 1 1 101 101 VAL N N 101 116.230 116.230 117.531 -1.301 26059 3447 1 5 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.411 -0.141 26059 3448 1 5 . 1 1 101 101 VAL C C 101 171.600 171.600 173.340 -1.740 26059 3449 1 5 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.184 1.076 26059 3450 1 5 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.510 -0.330 26059 3451 1 5 . 1 1 101 101 VAL H H 101 8.120 8.120 8.214 -0.094 26059 3452 1 5 . 1 1 102 102 ARG N N 102 124.980 124.980 123.912 1.068 26059 3453 1 5 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.899 0.261 26059 3454 1 5 . 1 1 102 102 ARG C C 102 174.340 174.340 174.950 -0.610 26059 3455 1 5 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.820 -1.070 26059 3456 1 5 . 1 1 102 102 ARG CB C 102 33.350 33.350 32.056 1.294 26059 3457 1 5 . 1 1 102 102 ARG H H 102 7.930 7.930 8.049 -0.119 26059 3458 1 5 . 1 1 103 103 PHE N N 103 124.590 124.590 125.996 -1.406 26059 3459 1 5 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.750 0.042 26059 3460 1 5 . 1 1 103 103 PHE C C 103 174.280 174.280 174.591 -0.311 26059 3461 1 5 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.545 0.935 26059 3462 1 5 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.631 1.619 26059 3463 1 5 . 1 1 103 103 PHE H H 103 9.390 9.390 9.178 0.212 26059 3464 1 5 . 1 1 104 104 ASP N N 104 124.700 124.700 125.384 -0.684 26059 3465 1 5 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.553 0.246 26059 3466 1 5 . 1 1 104 104 ASP C C 104 174.500 174.500 174.503 -0.003 26059 3467 1 5 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.785 0.605 26059 3468 1 5 . 1 1 104 104 ASP CB C 104 40.230 40.230 39.951 0.279 26059 3469 1 5 . 1 1 104 104 ASP H H 104 9.010 9.010 9.000 0.010 26059 3470 1 5 . 1 1 105 105 TYR N N 105 129.840 129.840 123.471 6.369 26059 3471 1 5 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.644 -0.574 26059 3472 1 5 . 1 1 105 105 TYR C C 105 173.100 173.100 173.264 -0.164 26059 3473 1 5 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.740 1.940 26059 3474 1 5 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.025 -0.175 26059 3475 1 5 . 1 1 105 105 TYR H H 105 8.140 8.140 8.183 -0.043 26059 3476 1 5 . 1 1 106 106 ASP N N 106 126.800 126.800 127.087 -0.287 26059 3477 1 5 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.393 -0.173 26059 3478 1 5 . 1 1 106 106 ASP C C 106 172.900 172.900 174.231 -1.331 26059 3479 1 5 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.708 -0.198 26059 3480 1 5 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.953 -2.453 26059 3481 1 5 . 1 1 106 106 ASP H H 106 7.730 7.730 8.279 -0.549 26059 3482 1 5 . 1 1 107 107 LEU N N 107 132.150 132.150 128.488 3.662 26059 3483 1 5 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.525 -0.685 26059 3484 1 5 . 1 1 107 107 LEU C C 107 172.100 172.100 174.649 -2.549 26059 3485 1 5 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.364 -0.164 26059 3486 1 5 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.578 -1.338 26059 3487 1 5 . 1 1 107 107 LEU H H 107 7.770 7.770 7.769 0.001 26059 3488 1 5 . 1 1 108 108 PHE N N 108 118.960 118.960 121.869 -2.909 26059 3489 1 5 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.857 -0.167 26059 3490 1 5 . 1 1 108 108 PHE C C 108 174.300 174.300 173.767 0.533 26059 3491 1 5 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.777 -1.087 26059 3492 1 5 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.699 -0.409 26059 3493 1 5 . 1 1 108 108 PHE H H 108 6.060 6.060 7.274 -1.214 26059 3494 1 5 . 1 1 109 109 LEU N N 109 118.900 118.900 120.223 -1.323 26059 3495 1 5 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.698 -0.298 26059 3496 1 5 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.324 -1.164 26059 3497 1 5 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.574 -2.494 26059 3498 1 5 . 1 1 109 109 LEU H H 109 8.388 8.388 8.186 0.202 26059 3499 1 5 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.448 -0.008 26059 3500 1 5 . 1 1 111 111 LEU C C 111 177.300 177.300 177.204 0.096 26059 3501 1 5 . 1 1 111 111 LEU CA C 111 54.220 54.220 54.673 -0.453 26059 3502 1 5 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.620 1.250 26059 3503 1 5 . 1 1 112 112 GLU N N 112 120.660 120.660 121.726 -1.066 26059 3504 1 5 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.146 0.024 26059 3505 1 5 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.377 0.083 26059 3506 1 5 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.461 -0.271 26059 3507 1 5 . 1 1 112 112 GLU H H 112 8.780 8.780 8.795 -0.015 26059 3508 1 5 . 1 1 113 113 GLY C C 113 173.900 173.900 174.044 -0.144 26059 3509 1 5 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.886 0.064 26059 3510 1 5 . 1 1 114 114 HIS N N 114 120.890 120.890 119.947 0.943 26059 3511 1 5 . 1 1 114 114 HIS HA H 114 4.906 4.906 5.021 -0.115 26059 3512 1 5 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.891 0.879 26059 3513 1 5 . 1 1 114 114 HIS CB C 114 30.590 30.590 31.396 -0.806 26059 3514 1 5 . 1 1 114 114 HIS H H 114 7.934 7.934 7.884 0.050 26059 3515 1 5 . 1 1 115 115 PRO HA H 115 4.800 4.800 5.083 -0.283 26059 3516 1 5 . 1 1 115 115 PRO CA C 115 62.090 62.090 60.919 1.171 26059 3517 1 5 . 1 1 115 115 PRO CB C 115 30.680 30.680 32.194 -1.514 26059 3518 1 5 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.617 -0.407 26059 3519 1 5 . 1 1 116 116 PRO C C 116 176.600 176.600 175.579 1.021 26059 3520 1 5 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.035 0.265 26059 3521 1 5 . 1 1 117 117 VAL N N 117 127.480 127.480 125.239 2.241 26059 3522 1 5 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.374 -0.584 26059 3523 1 5 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.176 1.524 26059 3524 1 5 . 1 1 117 117 VAL CB C 117 33.200 33.200 32.478 0.722 26059 3525 1 5 . 1 1 117 117 VAL H H 117 8.890 8.890 7.861 1.029 26059 3526 1 5 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.161 -0.171 26059 3527 1 5 . 1 1 118 118 ASN C C 118 172.700 172.700 173.820 -1.120 26059 3528 1 5 . 1 1 118 118 ASN CA C 118 53.360 53.360 53.096 0.264 26059 3529 1 5 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.129 -0.929 26059 3530 1 5 . 1 1 119 119 HIS N N 119 124.930 124.930 126.062 -1.132 26059 3531 1 5 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.087 -0.267 26059 3532 1 5 . 1 1 119 119 HIS C C 119 173.500 173.500 173.066 0.434 26059 3533 1 5 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.118 1.852 26059 3534 1 5 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.363 0.907 26059 3535 1 5 . 1 1 119 119 HIS H H 119 8.790 8.790 8.402 0.388 26059 3536 1 5 . 1 1 120 120 LEU N N 120 128.280 128.280 124.620 3.660 26059 3537 1 5 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.613 0.337 26059 3538 1 5 . 1 1 120 120 LEU C C 120 174.030 174.030 175.543 -1.513 26059 3539 1 5 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.316 0.684 26059 3540 1 5 . 1 1 120 120 LEU CB C 120 46.600 46.600 44.435 2.165 26059 3541 1 5 . 1 1 120 120 LEU H H 120 7.460 7.460 8.244 -0.784 26059 3542 1 5 . 1 1 121 121 ARG N N 121 128.060 128.060 122.065 5.995 26059 3543 1 5 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.623 0.017 26059 3544 1 5 . 1 1 121 121 ARG C C 121 173.400 173.400 174.070 -0.670 26059 3545 1 5 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.873 -0.513 26059 3546 1 5 . 1 1 121 121 ARG CB C 121 34.260 34.260 34.291 -0.032 26059 3547 1 5 . 1 1 121 121 ARG H H 121 9.860 9.860 8.406 1.454 26059 3548 1 5 . 1 1 122 122 CYS N N 122 125.290 125.290 122.343 2.947 26059 3549 1 5 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.185 -0.165 26059 3550 1 5 . 1 1 122 122 CYS C C 122 174.600 174.600 174.804 -0.204 26059 3551 1 5 . 1 1 122 122 CYS CA C 122 58.290 58.290 56.850 1.440 26059 3552 1 5 . 1 1 122 122 CYS CB C 122 28.030 28.030 28.630 -0.600 26059 3553 1 5 . 1 1 122 122 CYS H H 122 8.835 8.835 8.742 0.093 26059 3554 1 5 . 1 1 123 123 GLU N N 123 125.920 125.920 125.217 0.703 26059 3555 1 5 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.469 0.211 26059 3556 1 5 . 1 1 123 123 GLU C C 123 174.500 174.500 174.730 -0.230 26059 3557 1 5 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.387 0.033 26059 3558 1 5 . 1 1 123 123 GLU CB C 123 32.583 32.583 31.489 1.094 26059 3559 1 5 . 1 1 123 123 GLU H H 123 8.970 8.970 8.996 -0.026 26059 3560 1 5 . 1 1 124 124 LYS N N 124 121.837 121.837 121.655 0.182 26059 3561 1 5 . 1 1 124 124 LYS HA H 124 4.960 4.960 5.027 -0.067 26059 3562 1 5 . 1 1 124 124 LYS C C 124 175.700 175.700 175.909 -0.209 26059 3563 1 5 . 1 1 124 124 LYS CA C 124 55.357 55.357 54.764 0.593 26059 3564 1 5 . 1 1 124 124 LYS CB C 124 34.189 34.189 34.704 -0.515 26059 3565 1 5 . 1 1 124 124 LYS H H 124 8.652 8.652 8.282 0.370 26059 3566 1 5 . 1 1 125 125 LEU N N 125 127.000 127.000 129.674 -2.674 26059 3567 1 5 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.534 0.116 26059 3568 1 5 . 1 1 125 125 LEU C C 125 175.110 175.110 175.372 -0.262 26059 3569 1 5 . 1 1 125 125 LEU CA C 125 53.854 53.854 53.970 -0.116 26059 3570 1 5 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.876 1.391 26059 3571 1 5 . 1 1 125 125 LEU H H 125 9.175 9.175 9.231 -0.056 26059 3572 1 5 . 1 1 126 126 THR N N 126 117.779 117.779 120.609 -2.830 26059 3573 1 5 . 1 1 126 126 THR HA H 126 4.650 4.650 4.584 0.066 26059 3574 1 5 . 1 1 126 126 THR C C 126 173.200 173.200 173.607 -0.407 26059 3575 1 5 . 1 1 126 126 THR CA C 126 62.036 62.036 61.948 0.088 26059 3576 1 5 . 1 1 126 126 THR CB C 126 70.284 70.284 69.640 0.644 26059 3577 1 5 . 1 1 126 126 THR H H 126 8.331 8.331 8.404 -0.073 26059 3578 1 5 . 1 1 127 127 PHE N N 127 126.576 126.576 127.338 -0.762 26059 3579 1 5 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.723 -0.133 26059 3580 1 5 . 1 1 127 127 PHE C C 127 174.860 174.860 174.258 0.602 26059 3581 1 5 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.751 1.113 26059 3582 1 5 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.250 -1.250 26059 3583 1 5 . 1 1 127 127 PHE H H 127 9.051 9.051 9.030 0.021 26059 3584 1 5 . 1 1 128 128 ASN N N 128 123.040 123.040 123.072 -0.032 26059 3585 1 5 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.601 0.019 26059 3586 1 5 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.633 0.847 26059 3587 1 5 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.796 0.664 26059 3588 1 5 . 1 1 128 128 ASN H H 128 8.880 8.880 8.788 0.092 26059 3589 1 5 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.659 0.101 26059 3590 1 5 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.339 -0.439 26059 3591 1 5 . 1 1 129 129 ASN CB C 129 38.730 38.730 38.228 0.502 26059 3592 1 5 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.698 0.092 26059 3593 1 5 . 1 1 130 130 PRO C C 130 177.470 177.470 175.867 1.603 26059 3594 1 5 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.003 0.571 26059 3595 1 5 . 1 1 130 130 PRO CB C 130 32.310 32.310 33.207 -0.897 26059 3596 1 5 . 1 1 131 131 THR N N 131 113.400 113.400 111.658 1.742 26059 3597 1 5 . 1 1 131 131 THR HA H 131 4.300 4.300 4.248 0.052 26059 3598 1 5 . 1 1 131 131 THR C C 131 175.200 175.200 176.009 -0.809 26059 3599 1 5 . 1 1 131 131 THR CA C 131 62.200 62.200 62.111 0.089 26059 3600 1 5 . 1 1 131 131 THR CB C 131 70.600 70.600 70.531 0.069 26059 3601 1 5 . 1 1 131 131 THR H H 131 8.950 8.950 8.040 0.910 26059 3602 1 5 . 1 1 132 132 GLU N N 132 122.199 122.199 125.179 -2.980 26059 3603 1 5 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.940 0.070 26059 3604 1 5 . 1 1 132 132 GLU C C 132 178.700 178.700 177.897 0.803 26059 3605 1 5 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.974 -0.680 26059 3606 1 5 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.527 -0.366 26059 3607 1 5 . 1 1 132 132 GLU H H 132 8.932 8.932 9.098 -0.166 26059 3608 1 5 . 1 1 133 133 ASP N N 133 116.324 116.324 117.756 -1.432 26059 3609 1 5 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.374 -0.044 26059 3610 1 5 . 1 1 133 133 ASP C C 133 177.800 177.800 178.482 -0.682 26059 3611 1 5 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.745 0.615 26059 3612 1 5 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.735 2.088 26059 3613 1 5 . 1 1 133 133 ASP H H 133 8.490 8.490 8.695 -0.205 26059 3614 1 5 . 1 1 134 134 PHE N N 134 119.914 119.914 122.408 -2.494 26059 3615 1 5 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.121 0.489 26059 3616 1 5 . 1 1 134 134 PHE C C 134 177.300 177.300 177.057 0.243 26059 3617 1 5 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.894 -1.356 26059 3618 1 5 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.239 -0.038 26059 3619 1 5 . 1 1 134 134 PHE H H 134 7.787 7.787 7.668 0.119 26059 3620 1 5 . 1 1 135 135 ARG N N 135 119.794 119.794 120.387 -0.593 26059 3621 1 5 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.774 -0.424 26059 3622 1 5 . 1 1 135 135 ARG C C 135 177.370 177.370 178.146 -0.776 26059 3623 1 5 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.063 0.313 26059 3624 1 5 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.021 0.375 26059 3625 1 5 . 1 1 135 135 ARG H H 135 9.087 9.087 8.320 0.767 26059 3626 1 5 . 1 1 136 136 ARG N N 136 114.554 114.554 118.143 -3.589 26059 3627 1 5 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.998 -0.178 26059 3628 1 5 . 1 1 136 136 ARG C C 136 178.950 178.950 178.591 0.359 26059 3629 1 5 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.569 -0.269 26059 3630 1 5 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.044 0.173 26059 3631 1 5 . 1 1 136 136 ARG H H 136 7.747 7.747 8.554 -0.807 26059 3632 1 5 . 1 1 137 137 LYS N N 137 118.298 118.298 118.596 -0.298 26059 3633 1 5 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.067 -0.167 26059 3634 1 5 . 1 1 137 137 LYS C C 137 177.980 177.980 178.631 -0.651 26059 3635 1 5 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.069 1.326 26059 3636 1 5 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.444 0.003 26059 3637 1 5 . 1 1 137 137 LYS H H 137 7.154 7.154 7.283 -0.129 26059 3638 1 5 . 1 1 138 138 LEU N N 138 117.159 117.159 119.724 -2.565 26059 3639 1 5 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.779 -0.359 26059 3640 1 5 . 1 1 138 138 LEU C C 138 179.100 179.100 178.620 0.480 26059 3641 1 5 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.370 -0.139 26059 3642 1 5 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.577 0.751 26059 3643 1 5 . 1 1 138 138 LEU H H 138 7.709 7.709 7.927 -0.218 26059 3644 1 5 . 1 1 139 139 LEU N N 139 115.158 115.158 117.001 -1.843 26059 3645 1 5 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.134 0.016 26059 3646 1 5 . 1 1 139 139 LEU C C 139 177.600 177.600 178.537 -0.937 26059 3647 1 5 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.672 -1.143 26059 3648 1 5 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.934 -0.190 26059 3649 1 5 . 1 1 139 139 LEU H H 139 7.507 7.507 8.273 -0.766 26059 3650 1 5 . 1 1 140 140 LYS N N 140 120.256 120.256 119.471 0.785 26059 3651 1 5 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.008 0.102 26059 3652 1 5 . 1 1 140 140 LYS C C 140 175.800 175.800 177.237 -1.437 26059 3653 1 5 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.278 -0.226 26059 3654 1 5 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.595 0.051 26059 3655 1 5 . 1 1 140 140 LYS H H 140 7.304 7.304 7.516 -0.212 26059 3656 1 6 . 1 1 4 4 MET C C 4 175.800 175.800 176.026 -0.226 26059 3657 1 6 . 1 1 4 4 MET CA C 4 55.350 55.350 56.146 -0.796 26059 3658 1 6 . 1 1 4 4 MET CB C 4 32.880 32.880 33.429 -0.549 26059 3659 1 6 . 1 1 5 5 ALA N N 5 125.230 125.230 121.197 4.033 26059 3660 1 6 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.636 -0.286 26059 3661 1 6 . 1 1 5 5 ALA CA C 5 52.430 52.430 51.362 1.068 26059 3662 1 6 . 1 1 5 5 ALA CB C 5 19.370 19.370 20.540 -1.170 26059 3663 1 6 . 1 1 5 5 ALA H H 5 8.320 8.320 8.298 0.022 26059 3664 1 6 . 1 1 6 6 SER HA H 6 4.490 4.490 4.661 -0.171 26059 3665 1 6 . 1 1 6 6 SER CA C 6 58.200 58.200 57.156 1.044 26059 3666 1 6 . 1 1 6 6 SER CB C 6 63.700 63.700 64.373 -0.673 26059 3667 1 6 . 1 1 7 7 SER HA H 7 4.530 4.530 4.708 -0.178 26059 3668 1 6 . 1 1 7 7 SER CA C 7 58.200 58.200 58.729 -0.529 26059 3669 1 6 . 1 1 7 7 SER CB C 7 63.700 63.700 62.801 0.899 26059 3670 1 6 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.497 0.113 26059 3671 1 6 . 1 1 8 8 CYS C C 8 173.500 173.500 173.542 -0.042 26059 3672 1 6 . 1 1 8 8 CYS CA C 8 58.340 58.340 58.503 -0.163 26059 3673 1 6 . 1 1 8 8 CYS CB C 8 28.490 28.490 27.610 0.880 26059 3674 1 6 . 1 1 9 9 ALA N N 9 124.700 124.700 129.780 -5.080 26059 3675 1 6 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.190 -0.400 26059 3676 1 6 . 1 1 9 9 ALA C C 9 177.400 177.400 176.686 0.714 26059 3677 1 6 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.758 1.312 26059 3678 1 6 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.662 -0.033 26059 3679 1 6 . 1 1 9 9 ALA H H 9 7.960 7.960 8.526 -0.566 26059 3680 1 6 . 1 1 10 10 VAL N N 10 120.124 120.124 123.064 -2.940 26059 3681 1 6 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.372 -0.082 26059 3682 1 6 . 1 1 10 10 VAL C C 10 173.900 173.900 175.048 -1.148 26059 3683 1 6 . 1 1 10 10 VAL CA C 10 61.550 61.550 60.987 0.563 26059 3684 1 6 . 1 1 10 10 VAL CB C 10 34.900 34.900 34.262 0.638 26059 3685 1 6 . 1 1 10 10 VAL H H 10 8.424 8.424 8.617 -0.193 26059 3686 1 6 . 1 1 11 11 GLN N N 11 125.818 125.818 123.861 1.957 26059 3687 1 6 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.478 0.082 26059 3688 1 6 . 1 1 11 11 GLN C C 11 175.400 175.400 175.422 -0.022 26059 3689 1 6 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.453 -0.330 26059 3690 1 6 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.253 1.776 26059 3691 1 6 . 1 1 11 11 GLN H H 11 8.636 8.636 8.542 0.094 26059 3692 1 6 . 1 1 12 12 VAL N N 12 119.106 119.106 119.410 -0.304 26059 3693 1 6 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.432 0.198 26059 3694 1 6 . 1 1 12 12 VAL C C 12 173.800 173.800 174.394 -0.594 26059 3695 1 6 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.898 -0.098 26059 3696 1 6 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.457 2.254 26059 3697 1 6 . 1 1 12 12 VAL H H 12 8.827 8.827 8.603 0.224 26059 3698 1 6 . 1 1 13 13 LYS N N 13 121.700 121.700 121.115 0.585 26059 3699 1 6 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.360 -0.160 26059 3700 1 6 . 1 1 13 13 LYS C C 13 175.030 175.030 175.738 -0.708 26059 3701 1 6 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.273 0.157 26059 3702 1 6 . 1 1 13 13 LYS CB C 13 35.920 35.920 34.458 1.462 26059 3703 1 6 . 1 1 13 13 LYS H H 13 8.234 8.234 8.485 -0.251 26059 3704 1 6 . 1 1 14 14 LEU N N 14 119.100 119.100 124.212 -5.112 26059 3705 1 6 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.201 -0.251 26059 3706 1 6 . 1 1 14 14 LEU C C 14 175.110 175.110 175.774 -0.664 26059 3707 1 6 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.557 -0.200 26059 3708 1 6 . 1 1 14 14 LEU CB C 14 46.921 46.921 44.956 1.965 26059 3709 1 6 . 1 1 14 14 LEU H H 14 8.840 8.840 9.098 -0.258 26059 3710 1 6 . 1 1 15 15 GLU N N 15 120.978 120.978 123.391 -2.413 26059 3711 1 6 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.529 -0.539 26059 3712 1 6 . 1 1 15 15 GLU C C 15 173.800 173.800 175.109 -1.309 26059 3713 1 6 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.259 1.169 26059 3714 1 6 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.552 -0.726 26059 3715 1 6 . 1 1 15 15 GLU H H 15 9.181 9.181 9.293 -0.112 26059 3716 1 6 . 1 1 16 16 LEU N N 16 124.438 124.438 127.566 -3.128 26059 3717 1 6 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.291 -0.181 26059 3718 1 6 . 1 1 16 16 LEU C C 16 174.700 174.700 176.166 -1.466 26059 3719 1 6 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.727 0.349 26059 3720 1 6 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.133 3.759 26059 3721 1 6 . 1 1 16 16 LEU H H 16 8.891 8.891 8.195 0.696 26059 3722 1 6 . 1 1 17 17 GLY N N 17 108.067 108.067 110.778 -2.711 26059 3723 1 6 . 1 1 17 17 GLY C C 17 170.350 170.350 171.454 -1.104 26059 3724 1 6 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.427 2.557 26059 3725 1 6 . 1 1 17 17 GLY H H 17 7.227 7.227 8.804 -1.577 26059 3726 1 6 . 1 1 18 18 HIS N N 18 111.200 111.200 117.894 -6.694 26059 3727 1 6 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.268 0.352 26059 3728 1 6 . 1 1 18 18 HIS C C 18 172.400 172.400 172.722 -0.322 26059 3729 1 6 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.738 0.202 26059 3730 1 6 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.704 1.456 26059 3731 1 6 . 1 1 18 18 HIS H H 18 8.150 8.150 8.552 -0.402 26059 3732 1 6 . 1 1 19 19 ARG N N 19 117.800 117.800 121.622 -3.822 26059 3733 1 6 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.259 -0.159 26059 3734 1 6 . 1 1 19 19 ARG C C 19 175.800 175.800 174.488 1.312 26059 3735 1 6 . 1 1 19 19 ARG CA C 19 53.500 53.500 53.962 -0.462 26059 3736 1 6 . 1 1 19 19 ARG CB C 19 34.650 34.650 33.661 0.989 26059 3737 1 6 . 1 1 19 19 ARG H H 19 9.010 9.010 8.445 0.565 26059 3738 1 6 . 1 1 20 20 ALA N N 20 120.390 120.390 126.960 -6.570 26059 3739 1 6 . 1 1 20 20 ALA HA H 20 5.540 5.540 4.949 0.591 26059 3740 1 6 . 1 1 20 20 ALA C C 20 175.800 175.800 175.802 -0.002 26059 3741 1 6 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.513 1.077 26059 3742 1 6 . 1 1 20 20 ALA CB C 20 23.750 23.750 21.654 2.096 26059 3743 1 6 . 1 1 20 20 ALA H H 20 8.070 8.070 8.807 -0.737 26059 3744 1 6 . 1 1 21 21 GLN N N 21 121.790 121.790 125.143 -3.353 26059 3745 1 6 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.003 0.227 26059 3746 1 6 . 1 1 21 21 GLN CA C 21 54.330 54.330 54.429 -0.099 26059 3747 1 6 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.853 0.047 26059 3748 1 6 . 1 1 21 21 GLN H H 21 9.240 9.240 8.773 0.467 26059 3749 1 6 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.345 -0.715 26059 3750 1 6 . 1 1 22 22 VAL C C 22 176.500 176.500 175.322 1.178 26059 3751 1 6 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.383 2.647 26059 3752 1 6 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.266 -2.666 26059 3753 1 6 . 1 1 23 23 ARG N N 23 127.840 127.840 127.273 0.567 26059 3754 1 6 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.589 -0.459 26059 3755 1 6 . 1 1 23 23 ARG CA C 23 56.200 56.200 55.281 0.920 26059 3756 1 6 . 1 1 23 23 ARG CB C 23 32.150 32.150 30.962 1.188 26059 3757 1 6 . 1 1 23 23 ARG H H 23 8.720 8.720 8.848 -0.128 26059 3758 1 6 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.193 -0.153 26059 3759 1 6 . 1 1 24 24 LYS C C 24 176.960 176.960 176.219 0.741 26059 3760 1 6 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.957 0.843 26059 3761 1 6 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.699 -0.639 26059 3762 1 6 . 1 1 25 25 LYS N N 25 115.870 115.870 119.449 -3.579 26059 3763 1 6 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.740 0.090 26059 3764 1 6 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.452 -0.492 26059 3765 1 6 . 1 1 25 25 LYS CB C 25 35.080 35.080 32.857 2.223 26059 3766 1 6 . 1 1 25 25 LYS H H 25 7.720 7.720 7.746 -0.026 26059 3767 1 6 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.596 0.234 26059 3768 1 6 . 1 1 26 26 PRO C C 26 177.400 177.400 176.923 0.477 26059 3769 1 6 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.183 -0.533 26059 3770 1 6 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.374 0.016 26059 3771 1 6 . 1 1 27 27 THR N N 27 111.270 111.270 114.249 -2.979 26059 3772 1 6 . 1 1 27 27 THR HA H 27 4.530 4.530 4.281 0.249 26059 3773 1 6 . 1 1 27 27 THR C C 27 177.300 177.300 177.030 0.270 26059 3774 1 6 . 1 1 27 27 THR CA C 27 61.300 61.300 61.320 -0.020 26059 3775 1 6 . 1 1 27 27 THR CB C 27 71.460 71.460 70.008 1.452 26059 3776 1 6 . 1 1 27 27 THR H H 27 8.380 8.380 8.193 0.187 26059 3777 1 6 . 1 1 28 28 VAL N N 28 121.170 121.170 118.871 2.299 26059 3778 1 6 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.987 -0.104 26059 3779 1 6 . 1 1 28 28 VAL C C 28 177.030 177.030 176.010 1.020 26059 3780 1 6 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.757 0.443 26059 3781 1 6 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.674 -0.274 26059 3782 1 6 . 1 1 28 28 VAL H H 28 8.910 8.910 8.576 0.334 26059 3783 1 6 . 1 1 29 29 GLU N N 29 116.800 116.800 120.759 -3.959 26059 3784 1 6 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.110 -0.190 26059 3785 1 6 . 1 1 29 29 GLU C C 29 176.200 176.200 176.507 -0.307 26059 3786 1 6 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.578 1.672 26059 3787 1 6 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.708 -0.538 26059 3788 1 6 . 1 1 29 29 GLU H H 29 7.990 7.990 8.006 -0.016 26059 3789 1 6 . 1 1 30 30 GLY N N 30 105.500 105.500 106.902 -1.402 26059 3790 1 6 . 1 1 30 30 GLY C C 30 174.900 174.900 173.944 0.956 26059 3791 1 6 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.240 -0.780 26059 3792 1 6 . 1 1 30 30 GLY H H 30 7.950 7.950 7.700 0.250 26059 3793 1 6 . 1 1 31 31 PHE N N 31 119.300 119.300 119.060 0.240 26059 3794 1 6 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.884 -0.124 26059 3795 1 6 . 1 1 31 31 PHE C C 31 176.400 176.400 176.265 0.135 26059 3796 1 6 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.477 1.423 26059 3797 1 6 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.350 -3.850 26059 3798 1 6 . 1 1 31 31 PHE H H 31 7.520 7.520 7.627 -0.107 26059 3799 1 6 . 1 1 32 32 THR N N 32 112.300 112.300 116.189 -3.889 26059 3800 1 6 . 1 1 32 32 THR HA H 32 4.330 4.330 4.397 -0.067 26059 3801 1 6 . 1 1 32 32 THR C C 32 175.200 175.200 174.342 0.858 26059 3802 1 6 . 1 1 32 32 THR CA C 32 62.780 62.780 62.946 -0.166 26059 3803 1 6 . 1 1 32 32 THR CB C 32 70.350 70.350 69.589 0.761 26059 3804 1 6 . 1 1 32 32 THR H H 32 7.770 7.770 8.869 -1.099 26059 3805 1 6 . 1 1 33 33 HIS N N 33 121.900 121.900 120.683 1.217 26059 3806 1 6 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.529 -0.029 26059 3807 1 6 . 1 1 33 33 HIS C C 33 173.880 173.880 173.730 0.150 26059 3808 1 6 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.459 1.321 26059 3809 1 6 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.408 2.232 26059 3810 1 6 . 1 1 33 33 HIS H H 33 9.110 9.110 8.764 0.346 26059 3811 1 6 . 1 1 34 34 ASP N N 34 120.300 120.300 122.577 -2.277 26059 3812 1 6 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.463 -0.063 26059 3813 1 6 . 1 1 34 34 ASP C C 34 175.100 175.100 175.206 -0.106 26059 3814 1 6 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.800 -0.490 26059 3815 1 6 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.359 -0.359 26059 3816 1 6 . 1 1 34 34 ASP H H 34 8.810 8.810 9.009 -0.199 26059 3817 1 6 . 1 1 35 35 TRP N N 35 119.800 119.800 122.129 -2.329 26059 3818 1 6 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.806 -0.076 26059 3819 1 6 . 1 1 35 35 TRP C C 35 174.900 174.900 173.718 1.182 26059 3820 1 6 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.216 0.684 26059 3821 1 6 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.950 1.720 26059 3822 1 6 . 1 1 35 35 TRP H H 35 9.250 9.250 8.870 0.380 26059 3823 1 6 . 1 1 36 36 MET N N 36 120.980 120.980 124.117 -3.137 26059 3824 1 6 . 1 1 36 36 MET HA H 36 5.750 5.750 5.943 -0.193 26059 3825 1 6 . 1 1 36 36 MET C C 36 173.700 173.700 174.769 -1.069 26059 3826 1 6 . 1 1 36 36 MET CA C 36 54.830 54.830 53.741 1.089 26059 3827 1 6 . 1 1 36 36 MET CB C 36 35.220 35.220 35.948 -0.728 26059 3828 1 6 . 1 1 36 36 MET H H 36 9.080 9.080 8.744 0.336 26059 3829 1 6 . 1 1 37 37 VAL N N 37 126.220 126.220 122.243 3.977 26059 3830 1 6 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.198 0.112 26059 3831 1 6 . 1 1 37 37 VAL C C 37 172.300 172.300 174.498 -2.198 26059 3832 1 6 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.611 -1.071 26059 3833 1 6 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.237 1.833 26059 3834 1 6 . 1 1 37 37 VAL H H 37 9.080 9.080 8.575 0.505 26059 3835 1 6 . 1 1 38 38 PHE N N 38 120.640 120.640 119.323 1.317 26059 3836 1 6 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.077 -0.107 26059 3837 1 6 . 1 1 38 38 PHE C C 38 172.960 172.960 173.623 -0.663 26059 3838 1 6 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.409 0.721 26059 3839 1 6 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.645 0.355 26059 3840 1 6 . 1 1 38 38 PHE H H 38 8.320 8.320 8.789 -0.469 26059 3841 1 6 . 1 1 39 39 VAL N N 39 116.500 116.500 117.934 -1.434 26059 3842 1 6 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.988 -0.978 26059 3843 1 6 . 1 1 39 39 VAL C C 39 174.700 174.700 174.699 0.001 26059 3844 1 6 . 1 1 39 39 VAL CA C 39 61.640 61.640 59.745 1.895 26059 3845 1 6 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.395 0.005 26059 3846 1 6 . 1 1 39 39 VAL H H 39 8.580 8.580 9.076 -0.496 26059 3847 1 6 . 1 1 40 40 ARG N N 40 124.100 124.100 121.972 2.128 26059 3848 1 6 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.160 -0.080 26059 3849 1 6 . 1 1 40 40 ARG C C 40 173.800 173.800 174.947 -1.147 26059 3850 1 6 . 1 1 40 40 ARG CA C 40 54.300 54.300 54.874 -0.574 26059 3851 1 6 . 1 1 40 40 ARG CB C 40 33.580 33.580 32.795 0.785 26059 3852 1 6 . 1 1 40 40 ARG H H 40 9.880 9.880 8.737 1.143 26059 3853 1 6 . 1 1 41 41 GLY N N 41 107.640 107.640 106.742 0.898 26059 3854 1 6 . 1 1 41 41 GLY CA C 41 43.970 43.970 43.031 0.939 26059 3855 1 6 . 1 1 41 41 GLY H H 41 8.910 8.910 8.024 0.886 26059 3856 1 6 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.418 0.072 26059 3857 1 6 . 1 1 42 42 PRO C C 42 177.300 177.300 176.523 0.777 26059 3858 1 6 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.279 -0.839 26059 3859 1 6 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.860 0.250 26059 3860 1 6 . 1 1 43 43 GLU N N 43 121.050 121.050 121.034 0.016 26059 3861 1 6 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.792 -0.002 26059 3862 1 6 . 1 1 43 43 GLU C C 43 176.110 176.110 175.223 0.887 26059 3863 1 6 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.340 0.510 26059 3864 1 6 . 1 1 43 43 GLU CB C 43 27.850 27.850 26.982 0.868 26059 3865 1 6 . 1 1 43 43 GLU H H 43 9.060 9.060 8.903 0.157 26059 3866 1 6 . 1 1 44 44 HIS N N 44 114.100 114.100 111.922 2.178 26059 3867 1 6 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.135 0.216 26059 3868 1 6 . 1 1 44 44 HIS C C 44 175.170 175.170 174.385 0.785 26059 3869 1 6 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.034 0.616 26059 3870 1 6 . 1 1 44 44 HIS CB C 44 28.370 28.370 27.994 0.376 26059 3871 1 6 . 1 1 44 44 HIS H H 44 8.420 8.420 8.261 0.159 26059 3872 1 6 . 1 1 45 45 SER N N 45 115.540 115.540 114.615 0.925 26059 3873 1 6 . 1 1 45 45 SER HA H 45 4.560 4.560 4.469 0.091 26059 3874 1 6 . 1 1 45 45 SER C C 45 173.700 173.700 174.255 -0.555 26059 3875 1 6 . 1 1 45 45 SER CA C 45 58.710 58.710 58.324 0.386 26059 3876 1 6 . 1 1 45 45 SER CB C 45 64.500 64.500 65.011 -0.511 26059 3877 1 6 . 1 1 45 45 SER H H 45 7.870 7.870 7.583 0.287 26059 3878 1 6 . 1 1 46 46 ASN N N 46 123.900 123.900 120.962 2.938 26059 3879 1 6 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.809 0.311 26059 3880 1 6 . 1 1 46 46 ASN C C 46 176.300 176.300 175.609 0.691 26059 3881 1 6 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.680 -0.990 26059 3882 1 6 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.142 -0.411 26059 3883 1 6 . 1 1 46 46 ASN H H 46 9.480 9.480 8.758 0.722 26059 3884 1 6 . 1 1 47 47 ILE N N 47 115.240 115.240 118.905 -3.665 26059 3885 1 6 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.049 -0.109 26059 3886 1 6 . 1 1 47 47 ILE C C 47 176.000 176.000 176.804 -0.804 26059 3887 1 6 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.913 1.287 26059 3888 1 6 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.888 -1.188 26059 3889 1 6 . 1 1 47 47 ILE H H 47 8.170 8.170 8.646 -0.476 26059 3890 1 6 . 1 1 48 48 GLN N N 48 123.200 123.200 120.787 2.413 26059 3891 1 6 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.243 0.037 26059 3892 1 6 . 1 1 48 48 GLN C C 48 175.670 175.670 176.681 -1.011 26059 3893 1 6 . 1 1 48 48 GLN CA C 48 57.900 57.900 57.926 -0.026 26059 3894 1 6 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.870 -0.881 26059 3895 1 6 . 1 1 48 48 GLN H H 48 8.850 8.850 8.553 0.297 26059 3896 1 6 . 1 1 49 49 HIS N N 49 115.400 115.400 117.674 -2.274 26059 3897 1 6 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.291 0.279 26059 3898 1 6 . 1 1 49 49 HIS C C 49 176.380 176.380 176.677 -0.297 26059 3899 1 6 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.663 -0.913 26059 3900 1 6 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.259 1.361 26059 3901 1 6 . 1 1 49 49 HIS H H 49 7.400 7.400 7.872 -0.472 26059 3902 1 6 . 1 1 50 50 PHE N N 50 109.800 109.800 111.160 -1.360 26059 3903 1 6 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.814 0.416 26059 3904 1 6 . 1 1 50 50 PHE C C 50 173.800 173.800 174.830 -1.030 26059 3905 1 6 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.204 -0.544 26059 3906 1 6 . 1 1 50 50 PHE CB C 50 41.000 41.000 39.893 1.107 26059 3907 1 6 . 1 1 50 50 PHE H H 50 7.570 7.570 7.500 0.070 26059 3908 1 6 . 1 1 51 51 VAL N N 51 127.810 127.810 121.225 6.585 26059 3909 1 6 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.607 -0.237 26059 3910 1 6 . 1 1 51 51 VAL C C 51 174.500 174.500 175.618 -1.118 26059 3911 1 6 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.998 0.001 26059 3912 1 6 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.690 0.590 26059 3913 1 6 . 1 1 51 51 VAL H H 51 7.810 7.810 8.150 -0.340 26059 3914 1 6 . 1 1 52 52 GLU N N 52 130.700 130.700 129.327 1.373 26059 3915 1 6 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.496 -0.516 26059 3916 1 6 . 1 1 52 52 GLU C C 52 175.400 175.400 175.371 0.029 26059 3917 1 6 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.335 0.665 26059 3918 1 6 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.937 -0.357 26059 3919 1 6 . 1 1 52 52 GLU H H 52 9.380 9.380 9.155 0.225 26059 3920 1 6 . 1 1 53 53 LYS N N 53 109.200 109.200 117.562 -8.362 26059 3921 1 6 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.773 0.027 26059 3922 1 6 . 1 1 53 53 LYS C C 53 172.300 172.300 174.252 -1.952 26059 3923 1 6 . 1 1 53 53 LYS CA C 53 54.840 54.840 55.352 -0.512 26059 3924 1 6 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.893 -1.643 26059 3925 1 6 . 1 1 53 53 LYS H H 53 7.190 7.190 7.515 -0.325 26059 3926 1 6 . 1 1 54 54 VAL N N 54 120.380 120.380 121.877 -1.497 26059 3927 1 6 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.847 -0.077 26059 3928 1 6 . 1 1 54 54 VAL C C 54 173.600 173.600 173.767 -0.167 26059 3929 1 6 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.168 0.872 26059 3930 1 6 . 1 1 54 54 VAL CB C 54 34.700 34.700 36.035 -1.335 26059 3931 1 6 . 1 1 54 54 VAL H H 54 8.450 8.450 8.517 -0.067 26059 3932 1 6 . 1 1 55 55 VAL N N 55 126.920 126.920 121.746 5.174 26059 3933 1 6 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.168 -0.468 26059 3934 1 6 . 1 1 55 55 VAL C C 55 173.800 173.800 173.405 0.395 26059 3935 1 6 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.635 1.235 26059 3936 1 6 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.835 -1.735 26059 3937 1 6 . 1 1 55 55 VAL H H 55 9.260 9.260 8.563 0.697 26059 3938 1 6 . 1 1 56 56 PHE N N 56 126.130 126.130 127.359 -1.229 26059 3939 1 6 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.897 -0.175 26059 3940 1 6 . 1 1 56 56 PHE C C 56 174.000 174.000 174.924 -0.924 26059 3941 1 6 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.102 0.478 26059 3942 1 6 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.544 0.346 26059 3943 1 6 . 1 1 56 56 PHE H H 56 9.290 9.290 9.142 0.148 26059 3944 1 6 . 1 1 57 57 HIS N N 57 124.180 124.180 125.365 -1.185 26059 3945 1 6 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.908 -0.108 26059 3946 1 6 . 1 1 57 57 HIS C C 57 174.700 174.700 175.140 -0.440 26059 3947 1 6 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.678 -1.358 26059 3948 1 6 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.123 1.977 26059 3949 1 6 . 1 1 57 57 HIS H H 57 8.690 8.690 8.366 0.324 26059 3950 1 6 . 1 1 58 58 LEU N N 58 122.050 122.050 124.485 -2.435 26059 3951 1 6 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.467 -0.157 26059 3952 1 6 . 1 1 58 58 LEU C C 58 174.400 174.400 176.952 -2.552 26059 3953 1 6 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.504 0.906 26059 3954 1 6 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.689 -1.529 26059 3955 1 6 . 1 1 58 58 LEU H H 58 9.050 9.050 8.744 0.306 26059 3956 1 6 . 1 1 59 59 HIS N N 59 118.510 118.510 118.085 0.425 26059 3957 1 6 . 1 1 59 59 HIS C C 59 175.300 175.300 176.671 -1.371 26059 3958 1 6 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.742 3.368 26059 3959 1 6 . 1 1 59 59 HIS CB C 59 30.930 30.930 30.713 0.217 26059 3960 1 6 . 1 1 59 59 HIS H H 59 5.160 5.160 7.990 -2.830 26059 3961 1 6 . 1 1 60 60 GLU N N 60 122.190 122.190 127.101 -4.911 26059 3962 1 6 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.021 -0.061 26059 3963 1 6 . 1 1 60 60 GLU C C 60 175.130 175.130 176.911 -1.781 26059 3964 1 6 . 1 1 60 60 GLU CA C 60 59.010 59.010 58.976 0.034 26059 3965 1 6 . 1 1 60 60 GLU CB C 60 28.820 28.820 29.011 -0.191 26059 3966 1 6 . 1 1 60 60 GLU H H 60 7.960 7.960 8.537 -0.577 26059 3967 1 6 . 1 1 61 61 SER N N 61 116.940 116.940 113.093 3.847 26059 3968 1 6 . 1 1 61 61 SER HA H 61 4.200 4.200 4.316 -0.116 26059 3969 1 6 . 1 1 61 61 SER CA C 61 60.010 60.010 59.451 0.559 26059 3970 1 6 . 1 1 61 61 SER CB C 61 63.140 63.140 63.548 -0.408 26059 3971 1 6 . 1 1 61 61 SER H H 61 8.540 8.540 7.854 0.686 26059 3972 1 6 . 1 1 62 62 PHE N N 62 123.700 123.700 122.217 1.483 26059 3973 1 6 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.730 -0.140 26059 3974 1 6 . 1 1 62 62 PHE CA C 62 57.400 57.400 56.092 1.308 26059 3975 1 6 . 1 1 62 62 PHE CB C 62 38.400 38.400 38.972 -0.572 26059 3976 1 6 . 1 1 62 62 PHE H H 62 8.640 8.640 8.201 0.439 26059 3977 1 6 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.453 -0.043 26059 3978 1 6 . 1 1 63 63 PRO C C 63 176.400 176.400 176.048 0.352 26059 3979 1 6 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.381 -0.781 26059 3980 1 6 . 1 1 63 63 PRO CB C 63 31.860 31.860 31.830 0.030 26059 3981 1 6 . 1 1 64 64 ARG N N 64 116.840 116.840 121.662 -4.822 26059 3982 1 6 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.137 -0.037 26059 3983 1 6 . 1 1 64 64 ARG CA C 64 55.610 55.610 55.934 -0.324 26059 3984 1 6 . 1 1 64 64 ARG CB C 64 28.830 28.830 27.946 0.884 26059 3985 1 6 . 1 1 64 64 ARG H H 64 8.890 8.890 8.631 0.259 26059 3986 1 6 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.367 -0.377 26059 3987 1 6 . 1 1 65 65 PRO C C 65 175.800 175.800 176.780 -0.980 26059 3988 1 6 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.524 1.286 26059 3989 1 6 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.305 -0.425 26059 3990 1 6 . 1 1 66 66 LYS N N 66 119.035 119.035 119.951 -0.916 26059 3991 1 6 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.451 0.159 26059 3992 1 6 . 1 1 66 66 LYS C C 66 175.400 175.400 175.614 -0.214 26059 3993 1 6 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.432 0.021 26059 3994 1 6 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.815 -1.085 26059 3995 1 6 . 1 1 66 66 LYS H H 66 7.630 7.630 7.958 -0.328 26059 3996 1 6 . 1 1 67 67 ARG N N 67 127.394 127.394 128.075 -0.681 26059 3997 1 6 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.671 0.069 26059 3998 1 6 . 1 1 67 67 ARG C C 67 174.500 174.500 175.188 -0.688 26059 3999 1 6 . 1 1 67 67 ARG CA C 67 52.800 52.800 53.094 -0.294 26059 4000 1 6 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.929 -0.215 26059 4001 1 6 . 1 1 67 67 ARG H H 67 8.855 8.855 8.588 0.267 26059 4002 1 6 . 1 1 68 68 VAL N N 68 124.388 124.388 121.016 3.372 26059 4003 1 6 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.305 -0.725 26059 4004 1 6 . 1 1 68 68 VAL C C 68 176.850 176.850 175.967 0.883 26059 4005 1 6 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.746 1.327 26059 4006 1 6 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.113 0.491 26059 4007 1 6 . 1 1 68 68 VAL H H 68 8.681 8.681 8.194 0.487 26059 4008 1 6 . 1 1 69 69 CYS N N 69 127.080 127.080 127.315 -0.235 26059 4009 1 6 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.849 0.221 26059 4010 1 6 . 1 1 69 69 CYS CA C 69 58.346 58.346 58.382 -0.036 26059 4011 1 6 . 1 1 69 69 CYS CB C 69 30.170 30.170 30.414 -0.244 26059 4012 1 6 . 1 1 69 69 CYS H H 69 9.455 9.455 9.135 0.320 26059 4013 1 6 . 1 1 70 70 LYS N N 70 125.480 125.480 124.022 1.458 26059 4014 1 6 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.647 -0.157 26059 4015 1 6 . 1 1 70 70 LYS C C 70 174.300 174.300 176.403 -2.103 26059 4016 1 6 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.311 0.049 26059 4017 1 6 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.639 -0.469 26059 4018 1 6 . 1 1 70 70 LYS H H 70 9.050 9.050 8.721 0.329 26059 4019 1 6 . 1 1 71 71 ASP N N 71 116.940 116.940 122.316 -5.376 26059 4020 1 6 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.754 0.346 26059 4021 1 6 . 1 1 71 71 ASP CA C 71 51.080 51.080 53.641 -2.561 26059 4022 1 6 . 1 1 71 71 ASP CB C 71 43.380 43.380 40.059 3.321 26059 4023 1 6 . 1 1 71 71 ASP H H 71 7.620 7.620 8.211 -0.591 26059 4024 1 6 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.250 -0.990 26059 4025 1 6 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.755 -2.105 26059 4026 1 6 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.845 -0.805 26059 4027 1 6 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.957 0.143 26059 4028 1 6 . 1 1 73 73 PRO C C 73 174.700 174.700 176.526 -1.826 26059 4029 1 6 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.748 -2.058 26059 4030 1 6 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.619 2.421 26059 4031 1 6 . 1 1 74 74 TYR N N 74 125.400 125.400 124.848 0.552 26059 4032 1 6 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.413 0.437 26059 4033 1 6 . 1 1 74 74 TYR C C 74 172.900 172.900 175.331 -2.431 26059 4034 1 6 . 1 1 74 74 TYR CA C 74 55.670 55.670 58.816 -3.146 26059 4035 1 6 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.608 -1.208 26059 4036 1 6 . 1 1 74 74 TYR H H 74 8.960 8.960 8.335 0.625 26059 4037 1 6 . 1 1 75 75 LYS N N 75 121.400 121.400 119.877 1.523 26059 4038 1 6 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.611 -0.021 26059 4039 1 6 . 1 1 75 75 LYS C C 75 173.800 173.800 175.031 -1.231 26059 4040 1 6 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.069 0.581 26059 4041 1 6 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.154 -1.264 26059 4042 1 6 . 1 1 75 75 LYS H H 75 7.670 7.670 7.959 -0.289 26059 4043 1 6 . 1 1 76 76 VAL N N 76 119.800 119.800 122.064 -2.264 26059 4044 1 6 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.233 -0.343 26059 4045 1 6 . 1 1 76 76 VAL C C 76 173.900 173.900 174.525 -0.625 26059 4046 1 6 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.279 1.451 26059 4047 1 6 . 1 1 76 76 VAL CB C 76 35.540 35.540 34.819 0.721 26059 4048 1 6 . 1 1 76 76 VAL H H 76 8.180 8.180 8.673 -0.493 26059 4049 1 6 . 1 1 77 77 GLU N N 77 126.190 126.190 126.451 -0.261 26059 4050 1 6 . 1 1 77 77 GLU HA H 77 4.950 4.950 4.906 0.044 26059 4051 1 6 . 1 1 77 77 GLU C C 77 174.700 174.700 175.243 -0.543 26059 4052 1 6 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.765 0.175 26059 4053 1 6 . 1 1 77 77 GLU CB C 77 31.550 31.550 30.542 1.008 26059 4054 1 6 . 1 1 77 77 GLU H H 77 8.270 8.270 8.746 -0.476 26059 4055 1 6 . 1 1 78 78 GLU N N 78 126.180 126.180 124.269 1.911 26059 4056 1 6 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.558 -0.108 26059 4057 1 6 . 1 1 78 78 GLU C C 78 175.400 175.400 173.569 1.831 26059 4058 1 6 . 1 1 78 78 GLU CA C 78 54.000 54.000 53.978 0.022 26059 4059 1 6 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.635 3.465 26059 4060 1 6 . 1 1 78 78 GLU H H 78 7.870 7.870 7.988 -0.118 26059 4061 1 6 . 1 1 79 79 SER N N 79 112.109 112.109 115.451 -3.342 26059 4062 1 6 . 1 1 79 79 SER HA H 79 5.560 5.560 5.533 0.027 26059 4063 1 6 . 1 1 79 79 SER C C 79 172.490 172.490 173.604 -1.114 26059 4064 1 6 . 1 1 79 79 SER CA C 79 57.754 57.754 56.218 1.536 26059 4065 1 6 . 1 1 79 79 SER CB C 79 65.861 65.861 65.539 0.322 26059 4066 1 6 . 1 1 79 79 SER H H 79 7.714 7.714 8.462 -0.748 26059 4067 1 6 . 1 1 80 80 GLY N N 80 106.048 106.048 110.804 -4.756 26059 4068 1 6 . 1 1 80 80 GLY C C 80 172.630 172.630 172.014 0.616 26059 4069 1 6 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.417 0.283 26059 4070 1 6 . 1 1 80 80 GLY H H 80 8.828 8.828 8.625 0.203 26059 4071 1 6 . 1 1 81 81 TYR N N 81 115.280 115.280 115.948 -0.668 26059 4072 1 6 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.344 0.336 26059 4073 1 6 . 1 1 81 81 TYR C C 81 174.100 174.100 174.033 0.067 26059 4074 1 6 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.256 -1.756 26059 4075 1 6 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.684 0.316 26059 4076 1 6 . 1 1 81 81 TYR H H 81 8.770 8.770 8.022 0.748 26059 4077 1 6 . 1 1 82 82 ALA N N 82 122.350 122.350 122.202 0.148 26059 4078 1 6 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.532 -0.092 26059 4079 1 6 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.280 -0.240 26059 4080 1 6 . 1 1 82 82 ALA CB C 82 22.400 22.400 21.195 1.205 26059 4081 1 6 . 1 1 82 82 ALA H H 82 7.160 7.160 7.096 0.064 26059 4082 1 6 . 1 1 83 83 GLY N N 83 107.100 107.100 107.928 -0.828 26059 4083 1 6 . 1 1 83 83 GLY C C 83 172.500 172.500 173.567 -1.067 26059 4084 1 6 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.358 0.252 26059 4085 1 6 . 1 1 83 83 GLY H H 83 8.220 8.220 8.252 -0.032 26059 4086 1 6 . 1 1 84 84 PHE N N 84 111.660 111.660 115.324 -3.664 26059 4087 1 6 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.628 0.062 26059 4088 1 6 . 1 1 84 84 PHE C C 84 172.460 172.460 173.544 -1.084 26059 4089 1 6 . 1 1 84 84 PHE CA C 84 56.500 56.500 56.455 0.045 26059 4090 1 6 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.864 -1.284 26059 4091 1 6 . 1 1 84 84 PHE H H 84 7.700 7.700 8.370 -0.670 26059 4092 1 6 . 1 1 85 85 ILE N N 85 117.810 117.810 121.841 -4.031 26059 4093 1 6 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.016 0.294 26059 4094 1 6 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.741 -1.401 26059 4095 1 6 . 1 1 85 85 ILE CB C 85 35.260 35.260 37.041 -1.781 26059 4096 1 6 . 1 1 85 85 ILE H H 85 8.340 8.340 8.496 -0.156 26059 4097 1 6 . 1 1 86 86 LEU N N 86 108.130 108.130 129.027 -20.897 26059 4098 1 6 . 1 1 86 86 LEU HA H 86 4.980 4.980 5.036 -0.056 26059 4099 1 6 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.978 2.222 26059 4100 1 6 . 1 1 86 86 LEU CB C 86 45.300 45.300 45.241 0.059 26059 4101 1 6 . 1 1 86 86 LEU H H 86 9.900 9.900 8.764 1.136 26059 4102 1 6 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.583 0.517 26059 4103 1 6 . 1 1 87 87 PRO C C 87 175.340 175.340 175.769 -0.429 26059 4104 1 6 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.216 -0.106 26059 4105 1 6 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.147 0.413 26059 4106 1 6 . 1 1 88 88 ILE N N 88 126.000 126.000 126.993 -0.993 26059 4107 1 6 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.528 0.262 26059 4108 1 6 . 1 1 88 88 ILE C C 88 176.100 176.100 175.054 1.046 26059 4109 1 6 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.395 0.165 26059 4110 1 6 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.634 2.366 26059 4111 1 6 . 1 1 88 88 ILE H H 88 9.380 9.380 8.855 0.525 26059 4112 1 6 . 1 1 89 89 GLU N N 89 123.900 123.900 128.077 -4.177 26059 4113 1 6 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.126 0.074 26059 4114 1 6 . 1 1 89 89 GLU C C 89 173.800 173.800 175.383 -1.583 26059 4115 1 6 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.420 -0.450 26059 4116 1 6 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.950 2.430 26059 4117 1 6 . 1 1 89 89 GLU H H 89 9.320 9.320 8.596 0.724 26059 4118 1 6 . 1 1 90 90 VAL N N 90 123.980 123.980 124.425 -0.445 26059 4119 1 6 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.898 0.262 26059 4120 1 6 . 1 1 90 90 VAL C C 90 174.800 174.800 174.440 0.360 26059 4121 1 6 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.780 -0.390 26059 4122 1 6 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.780 -0.290 26059 4123 1 6 . 1 1 90 90 VAL H H 90 8.630 8.630 8.102 0.528 26059 4124 1 6 . 1 1 91 91 TYR N N 91 124.230 124.230 126.334 -2.104 26059 4125 1 6 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.804 -0.144 26059 4126 1 6 . 1 1 91 91 TYR C C 91 176.800 176.800 175.649 1.151 26059 4127 1 6 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.240 -0.540 26059 4128 1 6 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.675 0.566 26059 4129 1 6 . 1 1 91 91 TYR H H 91 8.640 8.640 9.067 -0.427 26059 4130 1 6 . 1 1 92 92 PHE N N 92 121.200 121.200 121.816 -0.616 26059 4131 1 6 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.298 0.362 26059 4132 1 6 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.282 1.228 26059 4133 1 6 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.491 -0.491 26059 4134 1 6 . 1 1 92 92 PHE H H 92 8.750 8.750 9.174 -0.424 26059 4135 1 6 . 1 1 93 93 LYS N N 93 123.450 123.450 123.338 0.112 26059 4136 1 6 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.570 0.030 26059 4137 1 6 . 1 1 93 93 LYS C C 93 174.200 174.200 175.008 -0.808 26059 4138 1 6 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.980 -0.800 26059 4139 1 6 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.758 -0.078 26059 4140 1 6 . 1 1 93 93 LYS H H 93 8.560 8.560 8.979 -0.419 26059 4141 1 6 . 1 1 94 94 ASN N N 94 118.800 118.800 122.789 -3.989 26059 4142 1 6 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.819 -0.379 26059 4143 1 6 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.423 -1.213 26059 4144 1 6 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.823 -2.023 26059 4145 1 6 . 1 1 94 94 ASN H H 94 7.820 7.820 8.094 -0.274 26059 4146 1 6 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.599 -0.269 26059 4147 1 6 . 1 1 95 95 LYS C C 95 175.800 175.800 175.813 -0.013 26059 4148 1 6 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.770 -0.560 26059 4149 1 6 . 1 1 95 95 LYS CB C 95 33.010 33.010 33.574 -0.564 26059 4150 1 6 . 1 1 96 96 GLU N N 96 118.330 118.330 120.670 -2.340 26059 4151 1 6 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.347 0.163 26059 4152 1 6 . 1 1 96 96 GLU C C 96 173.200 173.200 175.945 -2.745 26059 4153 1 6 . 1 1 96 96 GLU CA C 96 54.100 54.100 55.177 -1.077 26059 4154 1 6 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.549 0.921 26059 4155 1 6 . 1 1 96 96 GLU H H 96 7.120 7.120 7.847 -0.727 26059 4156 1 6 . 1 1 97 97 GLU N N 97 115.630 115.630 119.800 -4.170 26059 4157 1 6 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.098 0.332 26059 4158 1 6 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.519 -1.659 26059 4159 1 6 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.849 0.421 26059 4160 1 6 . 1 1 97 97 GLU H H 97 8.060 8.060 8.606 -0.546 26059 4161 1 6 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.261 0.739 26059 4162 1 6 . 1 1 98 98 PRO C C 98 175.900 175.900 176.916 -1.016 26059 4163 1 6 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.153 -1.994 26059 4164 1 6 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.874 2.126 26059 4165 1 6 . 1 1 99 99 ARG N N 99 122.800 122.800 120.608 2.192 26059 4166 1 6 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.529 0.101 26059 4167 1 6 . 1 1 99 99 ARG C C 99 175.800 175.800 175.584 0.216 26059 4168 1 6 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.852 0.348 26059 4169 1 6 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.476 -0.066 26059 4170 1 6 . 1 1 99 99 ARG H H 99 8.602 8.602 8.677 -0.075 26059 4171 1 6 . 1 1 100 100 LYS N N 100 113.220 113.220 116.832 -3.612 26059 4172 1 6 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.905 0.035 26059 4173 1 6 . 1 1 100 100 LYS C C 100 174.100 174.100 174.569 -0.469 26059 4174 1 6 . 1 1 100 100 LYS CA C 100 53.391 53.391 54.075 -0.684 26059 4175 1 6 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.669 -0.949 26059 4176 1 6 . 1 1 100 100 LYS H H 100 7.650 7.650 7.339 0.311 26059 4177 1 6 . 1 1 101 101 VAL N N 101 116.230 116.230 118.740 -2.510 26059 4178 1 6 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.390 -0.120 26059 4179 1 6 . 1 1 101 101 VAL C C 101 171.600 171.600 173.069 -1.469 26059 4180 1 6 . 1 1 101 101 VAL CA C 101 60.260 60.260 60.136 0.124 26059 4181 1 6 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.730 -0.550 26059 4182 1 6 . 1 1 101 101 VAL H H 101 8.120 8.120 8.142 -0.022 26059 4183 1 6 . 1 1 102 102 ARG N N 102 124.980 124.980 123.730 1.250 26059 4184 1 6 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.832 0.328 26059 4185 1 6 . 1 1 102 102 ARG C C 102 174.340 174.340 174.895 -0.555 26059 4186 1 6 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.798 -1.048 26059 4187 1 6 . 1 1 102 102 ARG CB C 102 33.350 33.350 32.150 1.200 26059 4188 1 6 . 1 1 102 102 ARG H H 102 7.930 7.930 8.045 -0.115 26059 4189 1 6 . 1 1 103 103 PHE N N 103 124.590 124.590 127.379 -2.789 26059 4190 1 6 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.803 -0.011 26059 4191 1 6 . 1 1 103 103 PHE C C 103 174.280 174.280 174.960 -0.680 26059 4192 1 6 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.641 0.839 26059 4193 1 6 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.287 1.963 26059 4194 1 6 . 1 1 103 103 PHE H H 103 9.390 9.390 9.187 0.203 26059 4195 1 6 . 1 1 104 104 ASP N N 104 124.700 124.700 126.678 -1.978 26059 4196 1 6 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.656 0.143 26059 4197 1 6 . 1 1 104 104 ASP C C 104 174.500 174.500 174.505 -0.005 26059 4198 1 6 . 1 1 104 104 ASP CA C 104 54.390 54.390 54.813 -0.423 26059 4199 1 6 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.510 -0.280 26059 4200 1 6 . 1 1 104 104 ASP H H 104 9.010 9.010 9.001 0.009 26059 4201 1 6 . 1 1 105 105 TYR N N 105 129.840 129.840 125.797 4.043 26059 4202 1 6 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.662 -0.592 26059 4203 1 6 . 1 1 105 105 TYR C C 105 173.100 173.100 173.411 -0.311 26059 4204 1 6 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.670 2.010 26059 4205 1 6 . 1 1 105 105 TYR CB C 105 41.850 41.850 41.927 -0.077 26059 4206 1 6 . 1 1 105 105 TYR H H 105 8.140 8.140 8.261 -0.121 26059 4207 1 6 . 1 1 106 106 ASP N N 106 126.800 126.800 126.959 -0.159 26059 4208 1 6 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.329 -0.108 26059 4209 1 6 . 1 1 106 106 ASP C C 106 172.900 172.900 174.190 -1.290 26059 4210 1 6 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.825 -0.315 26059 4211 1 6 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.554 -2.054 26059 4212 1 6 . 1 1 106 106 ASP H H 106 7.730 7.730 8.249 -0.519 26059 4213 1 6 . 1 1 107 107 LEU N N 107 132.150 132.150 128.180 3.970 26059 4214 1 6 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.599 -0.759 26059 4215 1 6 . 1 1 107 107 LEU C C 107 172.100 172.100 174.663 -2.563 26059 4216 1 6 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.868 -0.668 26059 4217 1 6 . 1 1 107 107 LEU CB C 107 39.240 39.240 41.158 -1.918 26059 4218 1 6 . 1 1 107 107 LEU H H 107 7.770 7.770 7.680 0.090 26059 4219 1 6 . 1 1 108 108 PHE N N 108 118.960 118.960 121.254 -2.294 26059 4220 1 6 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.913 -0.223 26059 4221 1 6 . 1 1 108 108 PHE C C 108 174.300 174.300 173.678 0.622 26059 4222 1 6 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.206 -0.516 26059 4223 1 6 . 1 1 108 108 PHE CB C 108 40.290 40.290 41.012 -0.722 26059 4224 1 6 . 1 1 108 108 PHE H H 108 6.060 6.060 7.218 -1.158 26059 4225 1 6 . 1 1 109 109 LEU N N 109 118.900 118.900 120.449 -1.549 26059 4226 1 6 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.748 -0.348 26059 4227 1 6 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.399 -1.239 26059 4228 1 6 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.520 -2.440 26059 4229 1 6 . 1 1 109 109 LEU H H 109 8.388 8.388 8.216 0.172 26059 4230 1 6 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.391 0.049 26059 4231 1 6 . 1 1 111 111 LEU C C 111 177.300 177.300 177.561 -0.261 26059 4232 1 6 . 1 1 111 111 LEU CA C 111 54.220 54.220 54.710 -0.490 26059 4233 1 6 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.608 1.262 26059 4234 1 6 . 1 1 112 112 GLU N N 112 120.660 120.660 121.181 -0.521 26059 4235 1 6 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.210 -0.040 26059 4236 1 6 . 1 1 112 112 GLU CA C 112 58.460 58.460 57.639 0.821 26059 4237 1 6 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.137 0.053 26059 4238 1 6 . 1 1 112 112 GLU H H 112 8.780 8.780 8.730 0.050 26059 4239 1 6 . 1 1 113 113 GLY C C 113 173.900 173.900 174.454 -0.554 26059 4240 1 6 . 1 1 113 113 GLY CA C 113 44.950 44.950 45.257 -0.307 26059 4241 1 6 . 1 1 114 114 HIS N N 114 120.890 120.890 119.441 1.449 26059 4242 1 6 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.943 -0.037 26059 4243 1 6 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.864 0.906 26059 4244 1 6 . 1 1 114 114 HIS CB C 114 30.590 30.590 31.658 -1.068 26059 4245 1 6 . 1 1 114 114 HIS H H 114 7.934 7.934 8.100 -0.166 26059 4246 1 6 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.176 0.624 26059 4247 1 6 . 1 1 115 115 PRO CA C 115 62.090 62.090 62.957 -0.867 26059 4248 1 6 . 1 1 115 115 PRO CB C 115 30.680 30.680 31.120 -0.440 26059 4249 1 6 . 1 1 116 116 PRO HA H 116 4.210 4.210 3.338 0.872 26059 4250 1 6 . 1 1 116 116 PRO C C 116 176.600 176.600 176.199 0.401 26059 4251 1 6 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.439 -0.139 26059 4252 1 6 . 1 1 117 117 VAL N N 117 127.480 127.480 120.050 7.430 26059 4253 1 6 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.268 -0.478 26059 4254 1 6 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.053 1.647 26059 4255 1 6 . 1 1 117 117 VAL CB C 117 33.200 33.200 33.721 -0.521 26059 4256 1 6 . 1 1 117 117 VAL H H 117 8.890 8.890 8.083 0.807 26059 4257 1 6 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.162 -0.172 26059 4258 1 6 . 1 1 118 118 ASN C C 118 172.700 172.700 173.803 -1.103 26059 4259 1 6 . 1 1 118 118 ASN CA C 118 53.360 53.360 53.083 0.277 26059 4260 1 6 . 1 1 118 118 ASN CB C 118 39.200 39.200 39.828 -0.628 26059 4261 1 6 . 1 1 119 119 HIS N N 119 124.930 124.930 126.089 -1.159 26059 4262 1 6 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.106 -0.286 26059 4263 1 6 . 1 1 119 119 HIS C C 119 173.500 173.500 173.100 0.400 26059 4264 1 6 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.150 1.820 26059 4265 1 6 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.552 0.718 26059 4266 1 6 . 1 1 119 119 HIS H H 119 8.790 8.790 8.456 0.334 26059 4267 1 6 . 1 1 120 120 LEU N N 120 128.280 128.280 124.605 3.675 26059 4268 1 6 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.521 0.429 26059 4269 1 6 . 1 1 120 120 LEU C C 120 174.030 174.030 175.571 -1.541 26059 4270 1 6 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.577 0.423 26059 4271 1 6 . 1 1 120 120 LEU CB C 120 46.600 46.600 44.904 1.696 26059 4272 1 6 . 1 1 120 120 LEU H H 120 7.460 7.460 8.462 -1.002 26059 4273 1 6 . 1 1 121 121 ARG N N 121 128.060 128.060 120.835 7.225 26059 4274 1 6 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.512 0.128 26059 4275 1 6 . 1 1 121 121 ARG C C 121 173.400 173.400 173.627 -0.227 26059 4276 1 6 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.895 -0.534 26059 4277 1 6 . 1 1 121 121 ARG CB C 121 34.260 34.260 34.002 0.258 26059 4278 1 6 . 1 1 121 121 ARG H H 121 9.860 9.860 8.212 1.648 26059 4279 1 6 . 1 1 122 122 CYS N N 122 125.290 125.290 123.529 1.761 26059 4280 1 6 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.398 -0.378 26059 4281 1 6 . 1 1 122 122 CYS C C 122 174.600 174.600 174.062 0.538 26059 4282 1 6 . 1 1 122 122 CYS CA C 122 58.290 58.290 56.242 2.048 26059 4283 1 6 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.748 -1.718 26059 4284 1 6 . 1 1 122 122 CYS H H 122 8.835 8.835 8.533 0.302 26059 4285 1 6 . 1 1 123 123 GLU N N 123 125.920 125.920 125.292 0.628 26059 4286 1 6 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.397 0.283 26059 4287 1 6 . 1 1 123 123 GLU C C 123 174.500 174.500 175.013 -0.513 26059 4288 1 6 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.918 -0.498 26059 4289 1 6 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.198 0.385 26059 4290 1 6 . 1 1 123 123 GLU H H 123 8.970 8.970 8.879 0.091 26059 4291 1 6 . 1 1 124 124 LYS N N 124 121.837 121.837 125.855 -4.018 26059 4292 1 6 . 1 1 124 124 LYS HA H 124 4.960 4.960 5.010 -0.050 26059 4293 1 6 . 1 1 124 124 LYS C C 124 175.700 175.700 176.191 -0.491 26059 4294 1 6 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.285 0.072 26059 4295 1 6 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.746 0.443 26059 4296 1 6 . 1 1 124 124 LYS H H 124 8.652 8.652 8.529 0.123 26059 4297 1 6 . 1 1 125 125 LEU N N 125 127.000 127.000 129.692 -2.692 26059 4298 1 6 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.485 0.165 26059 4299 1 6 . 1 1 125 125 LEU C C 125 175.110 175.110 175.402 -0.292 26059 4300 1 6 . 1 1 125 125 LEU CA C 125 53.854 53.854 53.992 -0.138 26059 4301 1 6 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.822 1.445 26059 4302 1 6 . 1 1 125 125 LEU H H 125 9.175 9.175 9.185 -0.010 26059 4303 1 6 . 1 1 126 126 THR N N 126 117.779 117.779 120.454 -2.675 26059 4304 1 6 . 1 1 126 126 THR HA H 126 4.650 4.650 4.598 0.052 26059 4305 1 6 . 1 1 126 126 THR C C 126 173.200 173.200 173.654 -0.454 26059 4306 1 6 . 1 1 126 126 THR CA C 126 62.036 62.036 62.115 -0.079 26059 4307 1 6 . 1 1 126 126 THR CB C 126 70.284 70.284 69.489 0.795 26059 4308 1 6 . 1 1 126 126 THR H H 126 8.331 8.331 8.406 -0.075 26059 4309 1 6 . 1 1 127 127 PHE N N 127 126.576 126.576 127.454 -0.878 26059 4310 1 6 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.704 -0.114 26059 4311 1 6 . 1 1 127 127 PHE C C 127 174.860 174.860 174.334 0.526 26059 4312 1 6 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.464 1.400 26059 4313 1 6 . 1 1 127 127 PHE CB C 127 39.000 39.000 39.582 -0.582 26059 4314 1 6 . 1 1 127 127 PHE H H 127 9.051 9.051 9.187 -0.136 26059 4315 1 6 . 1 1 128 128 ASN N N 128 123.040 123.040 122.042 0.998 26059 4316 1 6 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.548 0.072 26059 4317 1 6 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.771 0.709 26059 4318 1 6 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.853 0.607 26059 4319 1 6 . 1 1 128 128 ASN H H 128 8.880 8.880 8.720 0.160 26059 4320 1 6 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.560 0.200 26059 4321 1 6 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.203 -0.302 26059 4322 1 6 . 1 1 129 129 ASN CB C 129 38.730 38.730 38.406 0.324 26059 4323 1 6 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.557 0.233 26059 4324 1 6 . 1 1 130 130 PRO C C 130 177.470 177.470 175.904 1.566 26059 4325 1 6 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.215 0.360 26059 4326 1 6 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.641 -0.331 26059 4327 1 6 . 1 1 131 131 THR N N 131 113.400 113.400 111.834 1.566 26059 4328 1 6 . 1 1 131 131 THR HA H 131 4.300 4.300 4.305 -0.005 26059 4329 1 6 . 1 1 131 131 THR C C 131 175.200 175.200 175.952 -0.752 26059 4330 1 6 . 1 1 131 131 THR CA C 131 62.200 62.200 62.243 -0.043 26059 4331 1 6 . 1 1 131 131 THR CB C 131 70.600 70.600 70.722 -0.122 26059 4332 1 6 . 1 1 131 131 THR H H 131 8.950 8.950 7.980 0.970 26059 4333 1 6 . 1 1 132 132 GLU N N 132 122.199 122.199 125.016 -2.817 26059 4334 1 6 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.988 0.022 26059 4335 1 6 . 1 1 132 132 GLU C C 132 178.700 178.700 178.271 0.429 26059 4336 1 6 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.512 -0.218 26059 4337 1 6 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.486 -0.325 26059 4338 1 6 . 1 1 132 132 GLU H H 132 8.932 8.932 9.152 -0.220 26059 4339 1 6 . 1 1 133 133 ASP N N 133 116.324 116.324 118.453 -2.129 26059 4340 1 6 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.370 -0.040 26059 4341 1 6 . 1 1 133 133 ASP C C 133 177.800 177.800 178.579 -0.779 26059 4342 1 6 . 1 1 133 133 ASP CA C 133 57.360 57.360 57.265 0.095 26059 4343 1 6 . 1 1 133 133 ASP CB C 133 41.823 41.823 40.298 1.525 26059 4344 1 6 . 1 1 133 133 ASP H H 133 8.490 8.490 8.704 -0.214 26059 4345 1 6 . 1 1 134 134 PHE N N 134 119.914 119.914 121.365 -1.451 26059 4346 1 6 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.120 0.490 26059 4347 1 6 . 1 1 134 134 PHE C C 134 177.300 177.300 176.871 0.429 26059 4348 1 6 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.989 -1.451 26059 4349 1 6 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.194 0.006 26059 4350 1 6 . 1 1 134 134 PHE H H 134 7.787 7.787 8.176 -0.389 26059 4351 1 6 . 1 1 135 135 ARG N N 135 119.794 119.794 120.430 -0.636 26059 4352 1 6 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.793 -0.443 26059 4353 1 6 . 1 1 135 135 ARG C C 135 177.370 177.370 178.091 -0.721 26059 4354 1 6 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.118 0.258 26059 4355 1 6 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.030 0.366 26059 4356 1 6 . 1 1 135 135 ARG H H 135 9.087 9.087 8.466 0.621 26059 4357 1 6 . 1 1 136 136 ARG N N 136 114.554 114.554 118.735 -4.181 26059 4358 1 6 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.991 -0.171 26059 4359 1 6 . 1 1 136 136 ARG C C 136 178.950 178.950 178.683 0.267 26059 4360 1 6 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.448 -0.148 26059 4361 1 6 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.012 0.205 26059 4362 1 6 . 1 1 136 136 ARG H H 136 7.747 7.747 8.396 -0.649 26059 4363 1 6 . 1 1 137 137 LYS N N 137 118.298 118.298 119.258 -0.960 26059 4364 1 6 . 1 1 137 137 LYS HA H 137 3.900 3.900 3.982 -0.082 26059 4365 1 6 . 1 1 137 137 LYS C C 137 177.980 177.980 178.786 -0.806 26059 4366 1 6 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.413 0.982 26059 4367 1 6 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.241 0.206 26059 4368 1 6 . 1 1 137 137 LYS H H 137 7.154 7.154 7.544 -0.390 26059 4369 1 6 . 1 1 138 138 LEU N N 138 117.159 117.159 118.822 -1.663 26059 4370 1 6 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.813 -0.393 26059 4371 1 6 . 1 1 138 138 LEU C C 138 179.100 179.100 178.535 0.565 26059 4372 1 6 . 1 1 138 138 LEU CA C 138 57.231 57.231 56.877 0.353 26059 4373 1 6 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.706 0.622 26059 4374 1 6 . 1 1 138 138 LEU H H 138 7.709 7.709 7.746 -0.037 26059 4375 1 6 . 1 1 139 139 LEU N N 139 115.158 115.158 117.142 -1.984 26059 4376 1 6 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.095 0.055 26059 4377 1 6 . 1 1 139 139 LEU C C 139 177.600 177.600 178.439 -0.839 26059 4378 1 6 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.785 -1.256 26059 4379 1 6 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.907 -0.164 26059 4380 1 6 . 1 1 139 139 LEU H H 139 7.507 7.507 8.208 -0.701 26059 4381 1 6 . 1 1 140 140 LYS N N 140 120.256 120.256 118.922 1.334 26059 4382 1 6 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.068 0.042 26059 4383 1 6 . 1 1 140 140 LYS C C 140 175.800 175.800 176.987 -1.187 26059 4384 1 6 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.246 -0.194 26059 4385 1 6 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.812 -0.166 26059 4386 1 6 . 1 1 140 140 LYS H H 140 7.304 7.304 7.508 -0.204 26059 4387 1 7 . 1 1 4 4 MET C C 4 175.800 175.800 176.027 -0.227 26059 4388 1 7 . 1 1 4 4 MET CA C 4 55.350 55.350 55.040 0.310 26059 4389 1 7 . 1 1 4 4 MET CB C 4 32.880 32.880 30.713 2.167 26059 4390 1 7 . 1 1 5 5 ALA N N 5 125.230 125.230 128.543 -3.313 26059 4391 1 7 . 1 1 5 5 ALA HA H 5 4.350 4.350 3.931 0.419 26059 4392 1 7 . 1 1 5 5 ALA CA C 5 52.430 52.430 54.153 -1.723 26059 4393 1 7 . 1 1 5 5 ALA CB C 5 19.370 19.370 17.299 2.071 26059 4394 1 7 . 1 1 5 5 ALA H H 5 8.320 8.320 8.520 -0.200 26059 4395 1 7 . 1 1 6 6 SER HA H 6 4.490 4.490 4.601 -0.111 26059 4396 1 7 . 1 1 6 6 SER CA C 6 58.200 58.200 57.165 1.035 26059 4397 1 7 . 1 1 6 6 SER CB C 6 63.700 63.700 64.528 -0.828 26059 4398 1 7 . 1 1 7 7 SER HA H 7 4.530 4.530 4.598 -0.068 26059 4399 1 7 . 1 1 7 7 SER CA C 7 58.200 58.200 58.900 -0.700 26059 4400 1 7 . 1 1 7 7 SER CB C 7 63.700 63.700 62.632 1.068 26059 4401 1 7 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.615 -0.005 26059 4402 1 7 . 1 1 8 8 CYS C C 8 173.500 173.500 173.845 -0.345 26059 4403 1 7 . 1 1 8 8 CYS CA C 8 58.340 58.340 56.261 2.079 26059 4404 1 7 . 1 1 8 8 CYS CB C 8 28.490 28.490 28.605 -0.115 26059 4405 1 7 . 1 1 9 9 ALA N N 9 124.700 124.700 127.725 -3.025 26059 4406 1 7 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.152 -0.362 26059 4407 1 7 . 1 1 9 9 ALA C C 9 177.400 177.400 176.659 0.741 26059 4408 1 7 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.759 1.311 26059 4409 1 7 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.344 0.285 26059 4410 1 7 . 1 1 9 9 ALA H H 9 7.960 7.960 8.384 -0.424 26059 4411 1 7 . 1 1 10 10 VAL N N 10 120.124 120.124 123.263 -3.139 26059 4412 1 7 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.239 0.051 26059 4413 1 7 . 1 1 10 10 VAL C C 10 173.900 173.900 174.997 -1.097 26059 4414 1 7 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.259 0.291 26059 4415 1 7 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.261 1.639 26059 4416 1 7 . 1 1 10 10 VAL H H 10 8.424 8.424 8.507 -0.083 26059 4417 1 7 . 1 1 11 11 GLN N N 11 125.818 125.818 124.545 1.273 26059 4418 1 7 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.338 0.222 26059 4419 1 7 . 1 1 11 11 GLN C C 11 175.400 175.400 175.430 -0.030 26059 4420 1 7 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.204 -0.081 26059 4421 1 7 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.625 1.404 26059 4422 1 7 . 1 1 11 11 GLN H H 11 8.636 8.636 8.417 0.219 26059 4423 1 7 . 1 1 12 12 VAL N N 12 119.106 119.106 118.621 0.485 26059 4424 1 7 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.347 0.283 26059 4425 1 7 . 1 1 12 12 VAL C C 12 173.800 173.800 174.669 -0.869 26059 4426 1 7 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.867 -0.067 26059 4427 1 7 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.485 2.226 26059 4428 1 7 . 1 1 12 12 VAL H H 12 8.827 8.827 8.630 0.197 26059 4429 1 7 . 1 1 13 13 LYS N N 13 121.700 121.700 121.720 -0.020 26059 4430 1 7 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.393 -0.193 26059 4431 1 7 . 1 1 13 13 LYS C C 13 175.030 175.030 175.501 -0.471 26059 4432 1 7 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.245 0.185 26059 4433 1 7 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.062 0.857 26059 4434 1 7 . 1 1 13 13 LYS H H 13 8.234 8.234 8.543 -0.309 26059 4435 1 7 . 1 1 14 14 LEU N N 14 119.100 119.100 124.008 -4.908 26059 4436 1 7 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.266 -0.316 26059 4437 1 7 . 1 1 14 14 LEU C C 14 175.110 175.110 175.574 -0.464 26059 4438 1 7 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.279 0.078 26059 4439 1 7 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.456 1.465 26059 4440 1 7 . 1 1 14 14 LEU H H 14 8.840 8.840 9.166 -0.326 26059 4441 1 7 . 1 1 15 15 GLU N N 15 120.978 120.978 123.616 -2.638 26059 4442 1 7 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.376 -0.386 26059 4443 1 7 . 1 1 15 15 GLU C C 15 173.800 173.800 175.341 -1.541 26059 4444 1 7 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.300 1.128 26059 4445 1 7 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.367 -0.541 26059 4446 1 7 . 1 1 15 15 GLU H H 15 9.181 9.181 9.187 -0.006 26059 4447 1 7 . 1 1 16 16 LEU N N 16 124.438 124.438 128.053 -3.615 26059 4448 1 7 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.239 -0.129 26059 4449 1 7 . 1 1 16 16 LEU C C 16 174.700 174.700 176.064 -1.364 26059 4450 1 7 . 1 1 16 16 LEU CA C 16 53.076 53.076 53.013 0.063 26059 4451 1 7 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.241 3.651 26059 4452 1 7 . 1 1 16 16 LEU H H 16 8.891 8.891 8.372 0.519 26059 4453 1 7 . 1 1 17 17 GLY N N 17 108.067 108.067 110.918 -2.851 26059 4454 1 7 . 1 1 17 17 GLY C C 17 170.350 170.350 171.790 -1.440 26059 4455 1 7 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.983 2.001 26059 4456 1 7 . 1 1 17 17 GLY H H 17 7.227 7.227 8.903 -1.676 26059 4457 1 7 . 1 1 18 18 HIS N N 18 111.200 111.200 116.405 -5.205 26059 4458 1 7 . 1 1 18 18 HIS HA H 18 5.620 5.620 4.990 0.630 26059 4459 1 7 . 1 1 18 18 HIS C C 18 172.400 172.400 172.576 -0.176 26059 4460 1 7 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.936 0.004 26059 4461 1 7 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.226 1.934 26059 4462 1 7 . 1 1 18 18 HIS H H 18 8.150 8.150 8.473 -0.323 26059 4463 1 7 . 1 1 19 19 ARG N N 19 117.800 117.800 120.182 -2.382 26059 4464 1 7 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.048 0.052 26059 4465 1 7 . 1 1 19 19 ARG C C 19 175.800 175.800 174.220 1.580 26059 4466 1 7 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.046 -0.546 26059 4467 1 7 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.083 0.567 26059 4468 1 7 . 1 1 19 19 ARG H H 19 9.010 9.010 8.503 0.507 26059 4469 1 7 . 1 1 20 20 ALA N N 20 120.390 120.390 125.679 -5.289 26059 4470 1 7 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.231 0.309 26059 4471 1 7 . 1 1 20 20 ALA C C 20 175.800 175.800 175.097 0.703 26059 4472 1 7 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.628 0.962 26059 4473 1 7 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.417 1.333 26059 4474 1 7 . 1 1 20 20 ALA H H 20 8.070 8.070 8.810 -0.740 26059 4475 1 7 . 1 1 21 21 GLN N N 21 121.790 121.790 122.375 -0.585 26059 4476 1 7 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.009 0.221 26059 4477 1 7 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.497 0.833 26059 4478 1 7 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.349 0.551 26059 4479 1 7 . 1 1 21 21 GLN H H 21 9.240 9.240 8.265 0.975 26059 4480 1 7 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.463 -0.833 26059 4481 1 7 . 1 1 22 22 VAL C C 22 176.500 176.500 175.443 1.057 26059 4482 1 7 . 1 1 22 22 VAL CA C 22 63.030 63.030 59.800 3.230 26059 4483 1 7 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.178 -2.579 26059 4484 1 7 . 1 1 23 23 ARG N N 23 127.840 127.840 123.735 4.105 26059 4485 1 7 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.660 -0.530 26059 4486 1 7 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.623 1.577 26059 4487 1 7 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.304 0.846 26059 4488 1 7 . 1 1 23 23 ARG H H 23 8.720 8.720 8.571 0.149 26059 4489 1 7 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.170 -0.130 26059 4490 1 7 . 1 1 24 24 LYS C C 24 176.960 176.960 176.131 0.829 26059 4491 1 7 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.888 0.912 26059 4492 1 7 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.489 -0.429 26059 4493 1 7 . 1 1 25 25 LYS N N 25 115.870 115.870 118.864 -2.994 26059 4494 1 7 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.736 0.094 26059 4495 1 7 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.711 -0.751 26059 4496 1 7 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.651 1.429 26059 4497 1 7 . 1 1 25 25 LYS H H 25 7.720 7.720 7.625 0.095 26059 4498 1 7 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.625 0.205 26059 4499 1 7 . 1 1 26 26 PRO C C 26 177.400 177.400 177.240 0.160 26059 4500 1 7 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.008 -0.358 26059 4501 1 7 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.185 0.205 26059 4502 1 7 . 1 1 27 27 THR N N 27 111.270 111.270 115.701 -4.431 26059 4503 1 7 . 1 1 27 27 THR HA H 27 4.530 4.530 4.270 0.260 26059 4504 1 7 . 1 1 27 27 THR C C 27 177.300 177.300 176.820 0.480 26059 4505 1 7 . 1 1 27 27 THR CA C 27 61.300 61.300 60.912 0.388 26059 4506 1 7 . 1 1 27 27 THR CB C 27 71.460 71.460 69.875 1.585 26059 4507 1 7 . 1 1 27 27 THR H H 27 8.380 8.380 8.184 0.196 26059 4508 1 7 . 1 1 28 28 VAL N N 28 121.170 121.170 119.107 2.063 26059 4509 1 7 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.931 -0.048 26059 4510 1 7 . 1 1 28 28 VAL C C 28 177.030 177.030 176.001 1.029 26059 4511 1 7 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.708 0.492 26059 4512 1 7 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.583 -0.183 26059 4513 1 7 . 1 1 28 28 VAL H H 28 8.910 8.910 8.485 0.425 26059 4514 1 7 . 1 1 29 29 GLU N N 29 116.800 116.800 120.413 -3.613 26059 4515 1 7 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.104 -0.184 26059 4516 1 7 . 1 1 29 29 GLU C C 29 176.200 176.200 176.596 -0.396 26059 4517 1 7 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.450 1.800 26059 4518 1 7 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.250 -0.080 26059 4519 1 7 . 1 1 29 29 GLU H H 29 7.990 7.990 7.914 0.076 26059 4520 1 7 . 1 1 30 30 GLY N N 30 105.500 105.500 107.846 -2.346 26059 4521 1 7 . 1 1 30 30 GLY C C 30 174.900 174.900 173.870 1.030 26059 4522 1 7 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.364 -0.904 26059 4523 1 7 . 1 1 30 30 GLY H H 30 7.950 7.950 7.653 0.297 26059 4524 1 7 . 1 1 31 31 PHE N N 31 119.300 119.300 118.567 0.733 26059 4525 1 7 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.919 -0.159 26059 4526 1 7 . 1 1 31 31 PHE C C 31 176.400 176.400 176.136 0.264 26059 4527 1 7 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.575 1.325 26059 4528 1 7 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.895 -4.395 26059 4529 1 7 . 1 1 31 31 PHE H H 31 7.520 7.520 7.488 0.032 26059 4530 1 7 . 1 1 32 32 THR N N 32 112.300 112.300 115.610 -3.310 26059 4531 1 7 . 1 1 32 32 THR HA H 32 4.330 4.330 4.409 -0.079 26059 4532 1 7 . 1 1 32 32 THR C C 32 175.200 175.200 174.331 0.869 26059 4533 1 7 . 1 1 32 32 THR CA C 32 62.780 62.780 62.912 -0.132 26059 4534 1 7 . 1 1 32 32 THR CB C 32 70.350 70.350 69.859 0.491 26059 4535 1 7 . 1 1 32 32 THR H H 32 7.770 7.770 8.875 -1.105 26059 4536 1 7 . 1 1 33 33 HIS N N 33 121.900 121.900 120.809 1.091 26059 4537 1 7 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.361 0.139 26059 4538 1 7 . 1 1 33 33 HIS C C 33 173.880 173.880 173.464 0.416 26059 4539 1 7 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.758 1.022 26059 4540 1 7 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.138 2.502 26059 4541 1 7 . 1 1 33 33 HIS H H 33 9.110 9.110 8.710 0.400 26059 4542 1 7 . 1 1 34 34 ASP N N 34 120.300 120.300 123.069 -2.769 26059 4543 1 7 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.443 -0.043 26059 4544 1 7 . 1 1 34 34 ASP C C 34 175.100 175.100 175.445 -0.345 26059 4545 1 7 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.631 -0.321 26059 4546 1 7 . 1 1 34 34 ASP CB C 34 43.000 43.000 42.541 0.459 26059 4547 1 7 . 1 1 34 34 ASP H H 34 8.810 8.810 8.857 -0.047 26059 4548 1 7 . 1 1 35 35 TRP N N 35 119.800 119.800 121.827 -2.027 26059 4549 1 7 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.720 0.010 26059 4550 1 7 . 1 1 35 35 TRP C C 35 174.900 174.900 173.706 1.194 26059 4551 1 7 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.164 0.736 26059 4552 1 7 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.853 1.817 26059 4553 1 7 . 1 1 35 35 TRP H H 35 9.250 9.250 8.701 0.549 26059 4554 1 7 . 1 1 36 36 MET N N 36 120.980 120.980 123.420 -2.440 26059 4555 1 7 . 1 1 36 36 MET HA H 36 5.750 5.750 5.862 -0.112 26059 4556 1 7 . 1 1 36 36 MET C C 36 173.700 173.700 174.674 -0.974 26059 4557 1 7 . 1 1 36 36 MET CA C 36 54.830 54.830 53.777 1.053 26059 4558 1 7 . 1 1 36 36 MET CB C 36 35.220 35.220 36.037 -0.817 26059 4559 1 7 . 1 1 36 36 MET H H 36 9.080 9.080 8.972 0.108 26059 4560 1 7 . 1 1 37 37 VAL N N 37 126.220 126.220 122.057 4.163 26059 4561 1 7 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.057 0.253 26059 4562 1 7 . 1 1 37 37 VAL C C 37 172.300 172.300 174.443 -2.143 26059 4563 1 7 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.569 -1.028 26059 4564 1 7 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.260 1.810 26059 4565 1 7 . 1 1 37 37 VAL H H 37 9.080 9.080 8.842 0.238 26059 4566 1 7 . 1 1 38 38 PHE N N 38 120.640 120.640 118.429 2.211 26059 4567 1 7 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.052 -0.082 26059 4568 1 7 . 1 1 38 38 PHE C C 38 172.960 172.960 173.661 -0.701 26059 4569 1 7 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.396 0.734 26059 4570 1 7 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.501 0.499 26059 4571 1 7 . 1 1 38 38 PHE H H 38 8.320 8.320 8.617 -0.297 26059 4572 1 7 . 1 1 39 39 VAL N N 39 116.500 116.500 117.660 -1.160 26059 4573 1 7 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.825 -0.815 26059 4574 1 7 . 1 1 39 39 VAL C C 39 174.700 174.700 174.998 -0.298 26059 4575 1 7 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.118 1.522 26059 4576 1 7 . 1 1 39 39 VAL CB C 39 35.400 35.400 34.709 0.691 26059 4577 1 7 . 1 1 39 39 VAL H H 39 8.580 8.580 9.062 -0.482 26059 4578 1 7 . 1 1 40 40 ARG N N 40 124.100 124.100 124.959 -0.859 26059 4579 1 7 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.056 0.024 26059 4580 1 7 . 1 1 40 40 ARG C C 40 173.800 173.800 175.531 -1.731 26059 4581 1 7 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.640 0.660 26059 4582 1 7 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.589 -1.008 26059 4583 1 7 . 1 1 40 40 ARG H H 40 9.880 9.880 9.045 0.835 26059 4584 1 7 . 1 1 41 41 GLY N N 41 107.640 107.640 107.905 -0.265 26059 4585 1 7 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.732 1.238 26059 4586 1 7 . 1 1 41 41 GLY H H 41 8.910 8.910 8.290 0.620 26059 4587 1 7 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.388 0.102 26059 4588 1 7 . 1 1 42 42 PRO C C 42 177.300 177.300 175.923 1.377 26059 4589 1 7 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.314 -0.874 26059 4590 1 7 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.468 0.642 26059 4591 1 7 . 1 1 43 43 GLU N N 43 121.050 121.050 123.941 -2.891 26059 4592 1 7 . 1 1 43 43 GLU HA H 43 3.790 3.790 4.020 -0.230 26059 4593 1 7 . 1 1 43 43 GLU C C 43 176.110 176.110 175.965 0.145 26059 4594 1 7 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.726 0.124 26059 4595 1 7 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.188 0.662 26059 4596 1 7 . 1 1 43 43 GLU H H 43 9.060 9.060 9.065 -0.005 26059 4597 1 7 . 1 1 44 44 HIS N N 44 114.100 114.100 112.336 1.764 26059 4598 1 7 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.145 0.206 26059 4599 1 7 . 1 1 44 44 HIS C C 44 175.170 175.170 174.046 1.124 26059 4600 1 7 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.343 0.307 26059 4601 1 7 . 1 1 44 44 HIS CB C 44 28.370 28.370 29.491 -1.121 26059 4602 1 7 . 1 1 44 44 HIS H H 44 8.420 8.420 8.746 -0.326 26059 4603 1 7 . 1 1 45 45 SER N N 45 115.540 115.540 117.565 -2.025 26059 4604 1 7 . 1 1 45 45 SER HA H 45 4.560 4.560 4.301 0.259 26059 4605 1 7 . 1 1 45 45 SER C C 45 173.700 173.700 173.760 -0.060 26059 4606 1 7 . 1 1 45 45 SER CA C 45 58.710 58.710 59.484 -0.774 26059 4607 1 7 . 1 1 45 45 SER CB C 45 64.500 64.500 64.004 0.496 26059 4608 1 7 . 1 1 45 45 SER H H 45 7.870 7.870 7.550 0.320 26059 4609 1 7 . 1 1 46 46 ASN N N 46 123.900 123.900 123.774 0.126 26059 4610 1 7 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.590 0.530 26059 4611 1 7 . 1 1 46 46 ASN C C 46 176.300 176.300 175.723 0.577 26059 4612 1 7 . 1 1 46 46 ASN CA C 46 52.690 52.690 54.008 -1.317 26059 4613 1 7 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.102 -0.372 26059 4614 1 7 . 1 1 46 46 ASN H H 46 9.480 9.480 8.658 0.822 26059 4615 1 7 . 1 1 47 47 ILE N N 47 115.240 115.240 117.885 -2.645 26059 4616 1 7 . 1 1 47 47 ILE HA H 47 3.940 3.940 3.983 -0.043 26059 4617 1 7 . 1 1 47 47 ILE C C 47 176.000 176.000 177.063 -1.063 26059 4618 1 7 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.978 1.222 26059 4619 1 7 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.781 -1.081 26059 4620 1 7 . 1 1 47 47 ILE H H 47 8.170 8.170 8.313 -0.143 26059 4621 1 7 . 1 1 48 48 GLN N N 48 123.200 123.200 121.230 1.970 26059 4622 1 7 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.107 0.173 26059 4623 1 7 . 1 1 48 48 GLN C C 48 175.670 175.670 177.087 -1.417 26059 4624 1 7 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.795 -0.895 26059 4625 1 7 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.951 -0.961 26059 4626 1 7 . 1 1 48 48 GLN H H 48 8.850 8.850 8.541 0.309 26059 4627 1 7 . 1 1 49 49 HIS N N 49 115.400 115.400 116.352 -0.952 26059 4628 1 7 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.314 0.256 26059 4629 1 7 . 1 1 49 49 HIS C C 49 176.380 176.380 177.011 -0.631 26059 4630 1 7 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.157 -0.407 26059 4631 1 7 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.087 1.533 26059 4632 1 7 . 1 1 49 49 HIS H H 49 7.400 7.400 7.898 -0.498 26059 4633 1 7 . 1 1 50 50 PHE N N 50 109.800 109.800 111.834 -2.034 26059 4634 1 7 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.862 0.368 26059 4635 1 7 . 1 1 50 50 PHE C C 50 173.800 173.800 174.637 -0.837 26059 4636 1 7 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.013 -0.353 26059 4637 1 7 . 1 1 50 50 PHE CB C 50 41.000 41.000 40.144 0.856 26059 4638 1 7 . 1 1 50 50 PHE H H 50 7.570 7.570 7.493 0.077 26059 4639 1 7 . 1 1 51 51 VAL N N 51 127.810 127.810 121.678 6.132 26059 4640 1 7 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.571 -0.201 26059 4641 1 7 . 1 1 51 51 VAL C C 51 174.500 174.500 175.550 -1.050 26059 4642 1 7 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.807 0.193 26059 4643 1 7 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.608 0.672 26059 4644 1 7 . 1 1 51 51 VAL H H 51 7.810 7.810 8.056 -0.246 26059 4645 1 7 . 1 1 52 52 GLU N N 52 130.700 130.700 129.696 1.004 26059 4646 1 7 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.403 -0.423 26059 4647 1 7 . 1 1 52 52 GLU C C 52 175.400 175.400 175.526 -0.126 26059 4648 1 7 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.846 0.154 26059 4649 1 7 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.581 -0.001 26059 4650 1 7 . 1 1 52 52 GLU H H 52 9.380 9.380 9.112 0.268 26059 4651 1 7 . 1 1 53 53 LYS N N 53 109.200 109.200 115.760 -6.560 26059 4652 1 7 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.796 0.004 26059 4653 1 7 . 1 1 53 53 LYS C C 53 172.300 172.300 174.635 -2.335 26059 4654 1 7 . 1 1 53 53 LYS CA C 53 54.840 54.840 55.079 -0.239 26059 4655 1 7 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.389 -1.139 26059 4656 1 7 . 1 1 53 53 LYS H H 53 7.190 7.190 7.453 -0.263 26059 4657 1 7 . 1 1 54 54 VAL N N 54 120.380 120.380 119.462 0.918 26059 4658 1 7 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.786 -0.016 26059 4659 1 7 . 1 1 54 54 VAL C C 54 173.600 173.600 174.018 -0.418 26059 4660 1 7 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.144 0.896 26059 4661 1 7 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.967 -1.267 26059 4662 1 7 . 1 1 54 54 VAL H H 54 8.450 8.450 8.478 -0.028 26059 4663 1 7 . 1 1 55 55 VAL N N 55 126.920 126.920 121.326 5.594 26059 4664 1 7 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.219 -0.519 26059 4665 1 7 . 1 1 55 55 VAL C C 55 173.800 173.800 173.484 0.316 26059 4666 1 7 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.662 1.208 26059 4667 1 7 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.907 -1.808 26059 4668 1 7 . 1 1 55 55 VAL H H 55 9.260 9.260 8.253 1.007 26059 4669 1 7 . 1 1 56 56 PHE N N 56 126.130 126.130 126.840 -0.710 26059 4670 1 7 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.894 -0.172 26059 4671 1 7 . 1 1 56 56 PHE C C 56 174.000 174.000 174.846 -0.846 26059 4672 1 7 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.093 0.488 26059 4673 1 7 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.901 -0.011 26059 4674 1 7 . 1 1 56 56 PHE H H 56 9.290 9.290 9.135 0.155 26059 4675 1 7 . 1 1 57 57 HIS N N 57 124.180 124.180 125.250 -1.070 26059 4676 1 7 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.969 -0.169 26059 4677 1 7 . 1 1 57 57 HIS C C 57 174.700 174.700 175.161 -0.461 26059 4678 1 7 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.472 -1.152 26059 4679 1 7 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.245 1.855 26059 4680 1 7 . 1 1 57 57 HIS H H 57 8.690 8.690 8.332 0.358 26059 4681 1 7 . 1 1 58 58 LEU N N 58 122.050 122.050 124.491 -2.441 26059 4682 1 7 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.453 -0.143 26059 4683 1 7 . 1 1 58 58 LEU C C 58 174.400 174.400 176.967 -2.567 26059 4684 1 7 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.630 0.780 26059 4685 1 7 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.570 -1.410 26059 4686 1 7 . 1 1 58 58 LEU H H 58 9.050 9.050 8.751 0.299 26059 4687 1 7 . 1 1 59 59 HIS N N 59 118.510 118.510 118.036 0.474 26059 4688 1 7 . 1 1 59 59 HIS C C 59 175.300 175.300 176.775 -1.475 26059 4689 1 7 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.923 3.187 26059 4690 1 7 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.123 -0.193 26059 4691 1 7 . 1 1 59 59 HIS H H 59 5.160 5.160 8.153 -2.993 26059 4692 1 7 . 1 1 60 60 GLU N N 60 122.190 122.190 125.209 -3.019 26059 4693 1 7 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.119 -0.159 26059 4694 1 7 . 1 1 60 60 GLU C C 60 175.130 175.130 177.149 -2.019 26059 4695 1 7 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.156 -0.146 26059 4696 1 7 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.649 0.171 26059 4697 1 7 . 1 1 60 60 GLU H H 60 7.960 7.960 8.601 -0.641 26059 4698 1 7 . 1 1 61 61 SER N N 61 116.940 116.940 113.190 3.750 26059 4699 1 7 . 1 1 61 61 SER HA H 61 4.200 4.200 4.343 -0.143 26059 4700 1 7 . 1 1 61 61 SER CA C 61 60.010 60.010 60.104 -0.094 26059 4701 1 7 . 1 1 61 61 SER CB C 61 63.140 63.140 63.528 -0.388 26059 4702 1 7 . 1 1 61 61 SER H H 61 8.540 8.540 8.438 0.102 26059 4703 1 7 . 1 1 62 62 PHE N N 62 123.700 123.700 122.583 1.117 26059 4704 1 7 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.773 -0.183 26059 4705 1 7 . 1 1 62 62 PHE CA C 62 57.400 57.400 56.031 1.369 26059 4706 1 7 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.154 -0.754 26059 4707 1 7 . 1 1 62 62 PHE H H 62 8.640 8.640 8.148 0.492 26059 4708 1 7 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.531 -0.121 26059 4709 1 7 . 1 1 63 63 PRO C C 63 176.400 176.400 176.390 0.010 26059 4710 1 7 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.458 -0.858 26059 4711 1 7 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.040 -0.180 26059 4712 1 7 . 1 1 64 64 ARG N N 64 116.840 116.840 121.822 -4.982 26059 4713 1 7 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.086 0.014 26059 4714 1 7 . 1 1 64 64 ARG CA C 64 55.610 55.610 55.941 -0.331 26059 4715 1 7 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.531 0.299 26059 4716 1 7 . 1 1 64 64 ARG H H 64 8.890 8.890 8.833 0.057 26059 4717 1 7 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.338 -0.348 26059 4718 1 7 . 1 1 65 65 PRO C C 65 175.800 175.800 176.843 -1.043 26059 4719 1 7 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.710 1.100 26059 4720 1 7 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.205 -0.325 26059 4721 1 7 . 1 1 66 66 LYS N N 66 119.035 119.035 119.723 -0.688 26059 4722 1 7 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.482 0.128 26059 4723 1 7 . 1 1 66 66 LYS C C 66 175.400 175.400 175.707 -0.307 26059 4724 1 7 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.473 -0.020 26059 4725 1 7 . 1 1 66 66 LYS CB C 66 31.730 31.730 33.087 -1.357 26059 4726 1 7 . 1 1 66 66 LYS H H 66 7.630 7.630 7.938 -0.308 26059 4727 1 7 . 1 1 67 67 ARG N N 67 127.394 127.394 128.162 -0.768 26059 4728 1 7 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.658 0.082 26059 4729 1 7 . 1 1 67 67 ARG C C 67 174.500 174.500 175.097 -0.597 26059 4730 1 7 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.809 -0.010 26059 4731 1 7 . 1 1 67 67 ARG CB C 67 29.714 29.714 30.191 -0.477 26059 4732 1 7 . 1 1 67 67 ARG H H 67 8.855 8.855 8.702 0.153 26059 4733 1 7 . 1 1 68 68 VAL N N 68 124.388 124.388 121.880 2.508 26059 4734 1 7 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.216 -0.636 26059 4735 1 7 . 1 1 68 68 VAL C C 68 176.850 176.850 175.775 1.075 26059 4736 1 7 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.181 1.892 26059 4737 1 7 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.090 0.513 26059 4738 1 7 . 1 1 68 68 VAL H H 68 8.681 8.681 8.436 0.245 26059 4739 1 7 . 1 1 69 69 CYS N N 69 127.080 127.080 128.043 -0.963 26059 4740 1 7 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.847 0.223 26059 4741 1 7 . 1 1 69 69 CYS CA C 69 58.346 58.346 57.752 0.594 26059 4742 1 7 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.817 0.353 26059 4743 1 7 . 1 1 69 69 CYS H H 69 9.455 9.455 9.060 0.395 26059 4744 1 7 . 1 1 70 70 LYS N N 70 125.480 125.480 126.883 -1.403 26059 4745 1 7 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.655 -0.165 26059 4746 1 7 . 1 1 70 70 LYS C C 70 174.300 174.300 176.483 -2.183 26059 4747 1 7 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.175 0.185 26059 4748 1 7 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.507 -0.337 26059 4749 1 7 . 1 1 70 70 LYS H H 70 9.050 9.050 8.524 0.526 26059 4750 1 7 . 1 1 71 71 ASP N N 71 116.940 116.940 121.219 -4.279 26059 4751 1 7 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.795 0.305 26059 4752 1 7 . 1 1 71 71 ASP CA C 71 51.080 51.080 52.495 -1.415 26059 4753 1 7 . 1 1 71 71 ASP CB C 71 43.380 43.380 41.469 1.911 26059 4754 1 7 . 1 1 71 71 ASP H H 71 7.620 7.620 7.939 -0.319 26059 4755 1 7 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.173 -0.913 26059 4756 1 7 . 1 1 72 72 PRO CA C 72 60.650 60.650 63.071 -2.421 26059 4757 1 7 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.479 -0.439 26059 4758 1 7 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.941 0.159 26059 4759 1 7 . 1 1 73 73 PRO C C 73 174.700 174.700 176.440 -1.740 26059 4760 1 7 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.799 -2.109 26059 4761 1 7 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.574 2.466 26059 4762 1 7 . 1 1 74 74 TYR N N 74 125.400 125.400 124.563 0.837 26059 4763 1 7 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.431 0.419 26059 4764 1 7 . 1 1 74 74 TYR C C 74 172.900 172.900 175.408 -2.508 26059 4765 1 7 . 1 1 74 74 TYR CA C 74 55.670 55.670 58.489 -2.819 26059 4766 1 7 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.637 -1.237 26059 4767 1 7 . 1 1 74 74 TYR H H 74 8.960 8.960 8.358 0.602 26059 4768 1 7 . 1 1 75 75 LYS N N 75 121.400 121.400 119.643 1.757 26059 4769 1 7 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.567 0.023 26059 4770 1 7 . 1 1 75 75 LYS C C 75 173.800 173.800 175.067 -1.267 26059 4771 1 7 . 1 1 75 75 LYS CA C 75 54.650 54.650 53.973 0.677 26059 4772 1 7 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.124 -1.234 26059 4773 1 7 . 1 1 75 75 LYS H H 75 7.670 7.670 7.937 -0.267 26059 4774 1 7 . 1 1 76 76 VAL N N 76 119.800 119.800 122.556 -2.756 26059 4775 1 7 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.234 -0.344 26059 4776 1 7 . 1 1 76 76 VAL C C 76 173.900 173.900 174.584 -0.684 26059 4777 1 7 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.674 1.056 26059 4778 1 7 . 1 1 76 76 VAL CB C 76 35.540 35.540 34.730 0.810 26059 4779 1 7 . 1 1 76 76 VAL H H 76 8.180 8.180 8.681 -0.501 26059 4780 1 7 . 1 1 77 77 GLU N N 77 126.190 126.190 126.451 -0.261 26059 4781 1 7 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.007 -0.057 26059 4782 1 7 . 1 1 77 77 GLU C C 77 174.700 174.700 175.339 -0.639 26059 4783 1 7 . 1 1 77 77 GLU CA C 77 54.940 54.940 55.042 -0.102 26059 4784 1 7 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.608 -0.058 26059 4785 1 7 . 1 1 77 77 GLU H H 77 8.270 8.270 8.721 -0.451 26059 4786 1 7 . 1 1 78 78 GLU N N 78 126.180 126.180 124.176 2.004 26059 4787 1 7 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.591 -0.141 26059 4788 1 7 . 1 1 78 78 GLU C C 78 175.400 175.400 173.569 1.831 26059 4789 1 7 . 1 1 78 78 GLU CA C 78 54.000 54.000 53.640 0.360 26059 4790 1 7 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.803 3.297 26059 4791 1 7 . 1 1 78 78 GLU H H 78 7.870 7.870 7.834 0.036 26059 4792 1 7 . 1 1 79 79 SER N N 79 112.109 112.109 114.661 -2.552 26059 4793 1 7 . 1 1 79 79 SER HA H 79 5.560 5.560 5.585 -0.025 26059 4794 1 7 . 1 1 79 79 SER C C 79 172.490 172.490 173.439 -0.949 26059 4795 1 7 . 1 1 79 79 SER CA C 79 57.754 57.754 56.300 1.454 26059 4796 1 7 . 1 1 79 79 SER CB C 79 65.861 65.861 65.566 0.295 26059 4797 1 7 . 1 1 79 79 SER H H 79 7.714 7.714 8.396 -0.682 26059 4798 1 7 . 1 1 80 80 GLY N N 80 106.048 106.048 110.991 -4.943 26059 4799 1 7 . 1 1 80 80 GLY C C 80 172.630 172.630 171.993 0.637 26059 4800 1 7 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.150 0.550 26059 4801 1 7 . 1 1 80 80 GLY H H 80 8.828 8.828 8.957 -0.129 26059 4802 1 7 . 1 1 81 81 TYR N N 81 115.280 115.280 113.091 2.189 26059 4803 1 7 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.271 0.409 26059 4804 1 7 . 1 1 81 81 TYR C C 81 174.100 174.100 174.330 -0.230 26059 4805 1 7 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.041 -1.541 26059 4806 1 7 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.021 0.979 26059 4807 1 7 . 1 1 81 81 TYR H H 81 8.770 8.770 8.025 0.745 26059 4808 1 7 . 1 1 82 82 ALA N N 82 122.350 122.350 122.877 -0.527 26059 4809 1 7 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.482 -0.042 26059 4810 1 7 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.628 -0.588 26059 4811 1 7 . 1 1 82 82 ALA CB C 82 22.400 22.400 20.714 1.686 26059 4812 1 7 . 1 1 82 82 ALA H H 82 7.160 7.160 7.216 -0.056 26059 4813 1 7 . 1 1 83 83 GLY N N 83 107.100 107.100 109.576 -2.476 26059 4814 1 7 . 1 1 83 83 GLY C C 83 172.500 172.500 173.636 -1.136 26059 4815 1 7 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.769 -0.159 26059 4816 1 7 . 1 1 83 83 GLY H H 83 8.220 8.220 8.350 -0.130 26059 4817 1 7 . 1 1 84 84 PHE N N 84 111.660 111.660 115.203 -3.543 26059 4818 1 7 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.597 0.093 26059 4819 1 7 . 1 1 84 84 PHE C C 84 172.460 172.460 173.180 -0.720 26059 4820 1 7 . 1 1 84 84 PHE CA C 84 56.500 56.500 56.009 0.491 26059 4821 1 7 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.778 -1.198 26059 4822 1 7 . 1 1 84 84 PHE H H 84 7.700 7.700 8.045 -0.345 26059 4823 1 7 . 1 1 85 85 ILE N N 85 117.810 117.810 121.288 -3.478 26059 4824 1 7 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.037 0.273 26059 4825 1 7 . 1 1 85 85 ILE CA C 85 59.340 59.340 61.062 -1.722 26059 4826 1 7 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.723 -1.463 26059 4827 1 7 . 1 1 85 85 ILE H H 85 8.340 8.340 8.385 -0.045 26059 4828 1 7 . 1 1 86 86 LEU N N 86 108.130 108.130 129.674 -21.544 26059 4829 1 7 . 1 1 86 86 LEU HA H 86 4.980 4.980 5.051 -0.071 26059 4830 1 7 . 1 1 86 86 LEU CA C 86 53.200 53.200 51.023 2.176 26059 4831 1 7 . 1 1 86 86 LEU CB C 86 45.300 45.300 45.250 0.050 26059 4832 1 7 . 1 1 86 86 LEU H H 86 9.900 9.900 8.784 1.116 26059 4833 1 7 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.693 0.407 26059 4834 1 7 . 1 1 87 87 PRO C C 87 175.340 175.340 175.909 -0.569 26059 4835 1 7 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.075 0.035 26059 4836 1 7 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.517 0.043 26059 4837 1 7 . 1 1 88 88 ILE N N 88 126.000 126.000 126.582 -0.582 26059 4838 1 7 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.487 0.303 26059 4839 1 7 . 1 1 88 88 ILE C C 88 176.100 176.100 174.879 1.221 26059 4840 1 7 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.322 0.238 26059 4841 1 7 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.906 2.094 26059 4842 1 7 . 1 1 88 88 ILE H H 88 9.380 9.380 9.105 0.275 26059 4843 1 7 . 1 1 89 89 GLU N N 89 123.900 123.900 128.058 -4.158 26059 4844 1 7 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.005 0.195 26059 4845 1 7 . 1 1 89 89 GLU C C 89 173.800 173.800 175.300 -1.500 26059 4846 1 7 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.399 -0.429 26059 4847 1 7 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.739 2.641 26059 4848 1 7 . 1 1 89 89 GLU H H 89 9.320 9.320 8.387 0.933 26059 4849 1 7 . 1 1 90 90 VAL N N 90 123.980 123.980 124.959 -0.979 26059 4850 1 7 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.867 0.293 26059 4851 1 7 . 1 1 90 90 VAL C C 90 174.800 174.800 174.456 0.344 26059 4852 1 7 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.931 -0.541 26059 4853 1 7 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.610 -0.120 26059 4854 1 7 . 1 1 90 90 VAL H H 90 8.630 8.630 7.768 0.862 26059 4855 1 7 . 1 1 91 91 TYR N N 91 124.230 124.230 126.499 -2.269 26059 4856 1 7 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.719 -0.059 26059 4857 1 7 . 1 1 91 91 TYR C C 91 176.800 176.800 175.531 1.269 26059 4858 1 7 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.265 -0.565 26059 4859 1 7 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.790 0.450 26059 4860 1 7 . 1 1 91 91 TYR H H 91 8.640 8.640 8.805 -0.165 26059 4861 1 7 . 1 1 92 92 PHE N N 92 121.200 121.200 121.923 -0.723 26059 4862 1 7 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.297 0.363 26059 4863 1 7 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.085 1.425 26059 4864 1 7 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.453 -0.453 26059 4865 1 7 . 1 1 92 92 PHE H H 92 8.750 8.750 9.138 -0.388 26059 4866 1 7 . 1 1 93 93 LYS N N 93 123.450 123.450 123.156 0.294 26059 4867 1 7 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.652 -0.052 26059 4868 1 7 . 1 1 93 93 LYS C C 93 174.200 174.200 175.668 -1.468 26059 4869 1 7 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.845 -0.665 26059 4870 1 7 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.726 -0.046 26059 4871 1 7 . 1 1 93 93 LYS H H 93 8.560 8.560 8.803 -0.243 26059 4872 1 7 . 1 1 94 94 ASN N N 94 118.800 118.800 122.130 -3.330 26059 4873 1 7 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.870 -0.430 26059 4874 1 7 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.273 -1.063 26059 4875 1 7 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.780 -1.980 26059 4876 1 7 . 1 1 94 94 ASN H H 94 7.820 7.820 8.111 -0.291 26059 4877 1 7 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.564 -0.234 26059 4878 1 7 . 1 1 95 95 LYS C C 95 175.800 175.800 176.006 -0.206 26059 4879 1 7 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.530 -0.320 26059 4880 1 7 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.896 0.114 26059 4881 1 7 . 1 1 96 96 GLU N N 96 118.330 118.330 121.484 -3.154 26059 4882 1 7 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.354 0.156 26059 4883 1 7 . 1 1 96 96 GLU C C 96 173.200 173.200 175.886 -2.686 26059 4884 1 7 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.764 -0.664 26059 4885 1 7 . 1 1 96 96 GLU CB C 96 31.470 31.470 29.921 1.549 26059 4886 1 7 . 1 1 96 96 GLU H H 96 7.120 7.120 7.630 -0.509 26059 4887 1 7 . 1 1 97 97 GLU N N 97 115.630 115.630 120.116 -4.486 26059 4888 1 7 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.138 0.292 26059 4889 1 7 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.491 -1.631 26059 4890 1 7 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.564 0.706 26059 4891 1 7 . 1 1 97 97 GLU H H 97 8.060 8.060 8.336 -0.276 26059 4892 1 7 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.238 0.762 26059 4893 1 7 . 1 1 98 98 PRO C C 98 175.900 175.900 176.841 -0.941 26059 4894 1 7 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.137 -1.977 26059 4895 1 7 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.862 2.138 26059 4896 1 7 . 1 1 99 99 ARG N N 99 122.800 122.800 120.281 2.519 26059 4897 1 7 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.412 0.218 26059 4898 1 7 . 1 1 99 99 ARG C C 99 175.800 175.800 175.770 0.030 26059 4899 1 7 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.964 0.236 26059 4900 1 7 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.288 0.122 26059 4901 1 7 . 1 1 99 99 ARG H H 99 8.602 8.602 8.652 -0.050 26059 4902 1 7 . 1 1 100 100 LYS N N 100 113.220 113.220 115.962 -2.742 26059 4903 1 7 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.864 0.076 26059 4904 1 7 . 1 1 100 100 LYS C C 100 174.100 174.100 174.444 -0.344 26059 4905 1 7 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.981 -0.590 26059 4906 1 7 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.831 -1.111 26059 4907 1 7 . 1 1 100 100 LYS H H 100 7.650 7.650 7.282 0.368 26059 4908 1 7 . 1 1 101 101 VAL N N 101 116.230 116.230 117.157 -0.927 26059 4909 1 7 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.330 -0.060 26059 4910 1 7 . 1 1 101 101 VAL C C 101 171.600 171.600 173.466 -1.866 26059 4911 1 7 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.142 1.118 26059 4912 1 7 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.410 -0.230 26059 4913 1 7 . 1 1 101 101 VAL H H 101 8.120 8.120 8.217 -0.097 26059 4914 1 7 . 1 1 102 102 ARG N N 102 124.980 124.980 123.899 1.081 26059 4915 1 7 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.621 0.539 26059 4916 1 7 . 1 1 102 102 ARG C C 102 174.340 174.340 174.666 -0.326 26059 4917 1 7 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.776 -1.026 26059 4918 1 7 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.128 2.222 26059 4919 1 7 . 1 1 102 102 ARG H H 102 7.930 7.930 8.037 -0.107 26059 4920 1 7 . 1 1 103 103 PHE N N 103 124.590 124.590 125.662 -1.072 26059 4921 1 7 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.700 0.092 26059 4922 1 7 . 1 1 103 103 PHE C C 103 174.280 174.280 174.483 -0.203 26059 4923 1 7 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.643 0.837 26059 4924 1 7 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.809 1.441 26059 4925 1 7 . 1 1 103 103 PHE H H 103 9.390 9.390 9.199 0.191 26059 4926 1 7 . 1 1 104 104 ASP N N 104 124.700 124.700 124.289 0.411 26059 4927 1 7 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.620 0.179 26059 4928 1 7 . 1 1 104 104 ASP C C 104 174.500 174.500 174.551 -0.051 26059 4929 1 7 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.750 0.640 26059 4930 1 7 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.926 -0.696 26059 4931 1 7 . 1 1 104 104 ASP H H 104 9.010 9.010 8.968 0.042 26059 4932 1 7 . 1 1 105 105 TYR N N 105 129.840 129.840 124.729 5.111 26059 4933 1 7 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.701 -0.631 26059 4934 1 7 . 1 1 105 105 TYR C C 105 173.100 173.100 173.008 0.092 26059 4935 1 7 . 1 1 105 105 TYR CA C 105 58.680 58.680 57.208 1.472 26059 4936 1 7 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.578 -0.728 26059 4937 1 7 . 1 1 105 105 TYR H H 105 8.140 8.140 8.149 -0.009 26059 4938 1 7 . 1 1 106 106 ASP N N 106 126.800 126.800 126.319 0.481 26059 4939 1 7 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.396 -0.176 26059 4940 1 7 . 1 1 106 106 ASP C C 106 172.900 172.900 174.608 -1.708 26059 4941 1 7 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.392 0.118 26059 4942 1 7 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.522 -2.022 26059 4943 1 7 . 1 1 106 106 ASP H H 106 7.730 7.730 8.118 -0.388 26059 4944 1 7 . 1 1 107 107 LEU N N 107 132.150 132.150 129.207 2.943 26059 4945 1 7 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.650 -0.810 26059 4946 1 7 . 1 1 107 107 LEU C C 107 172.100 172.100 174.932 -2.832 26059 4947 1 7 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.446 -0.246 26059 4948 1 7 . 1 1 107 107 LEU CB C 107 39.240 39.240 41.173 -1.933 26059 4949 1 7 . 1 1 107 107 LEU H H 107 7.770 7.770 7.953 -0.183 26059 4950 1 7 . 1 1 108 108 PHE N N 108 118.960 118.960 121.660 -2.700 26059 4951 1 7 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.812 -0.122 26059 4952 1 7 . 1 1 108 108 PHE C C 108 174.300 174.300 173.643 0.657 26059 4953 1 7 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.402 -0.712 26059 4954 1 7 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.495 -0.205 26059 4955 1 7 . 1 1 108 108 PHE H H 108 6.060 6.060 7.324 -1.264 26059 4956 1 7 . 1 1 109 109 LEU N N 109 118.900 118.900 120.647 -1.747 26059 4957 1 7 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.459 -0.059 26059 4958 1 7 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.310 -1.150 26059 4959 1 7 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.323 -2.243 26059 4960 1 7 . 1 1 109 109 LEU H H 109 8.388 8.388 8.090 0.298 26059 4961 1 7 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.474 -0.034 26059 4962 1 7 . 1 1 111 111 LEU C C 111 177.300 177.300 177.150 0.150 26059 4963 1 7 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.258 -1.038 26059 4964 1 7 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.672 1.198 26059 4965 1 7 . 1 1 112 112 GLU N N 112 120.660 120.660 124.292 -3.632 26059 4966 1 7 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.073 0.097 26059 4967 1 7 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.527 -0.067 26059 4968 1 7 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.653 -0.463 26059 4969 1 7 . 1 1 112 112 GLU H H 112 8.780 8.780 8.876 -0.096 26059 4970 1 7 . 1 1 113 113 GLY C C 113 173.900 173.900 174.260 -0.360 26059 4971 1 7 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.894 0.056 26059 4972 1 7 . 1 1 114 114 HIS N N 114 120.890 120.890 121.293 -0.403 26059 4973 1 7 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.970 -0.064 26059 4974 1 7 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.908 0.862 26059 4975 1 7 . 1 1 114 114 HIS CB C 114 30.590 30.590 31.409 -0.819 26059 4976 1 7 . 1 1 114 114 HIS H H 114 7.934 7.934 7.884 0.050 26059 4977 1 7 . 1 1 115 115 PRO HA H 115 4.800 4.800 5.071 -0.271 26059 4978 1 7 . 1 1 115 115 PRO CA C 115 62.090 62.090 61.090 1.000 26059 4979 1 7 . 1 1 115 115 PRO CB C 115 30.680 30.680 32.153 -1.473 26059 4980 1 7 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.633 -0.423 26059 4981 1 7 . 1 1 116 116 PRO C C 116 176.600 176.600 175.783 0.817 26059 4982 1 7 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.126 0.174 26059 4983 1 7 . 1 1 117 117 VAL N N 117 127.480 127.480 126.524 0.956 26059 4984 1 7 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.321 -0.531 26059 4985 1 7 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.151 1.549 26059 4986 1 7 . 1 1 117 117 VAL CB C 117 33.200 33.200 31.949 1.251 26059 4987 1 7 . 1 1 117 117 VAL H H 117 8.890 8.890 7.972 0.918 26059 4988 1 7 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.241 -0.251 26059 4989 1 7 . 1 1 118 118 ASN C C 118 172.700 172.700 173.798 -1.098 26059 4990 1 7 . 1 1 118 118 ASN CA C 118 53.360 53.360 53.144 0.216 26059 4991 1 7 . 1 1 118 118 ASN CB C 118 39.200 39.200 41.075 -1.875 26059 4992 1 7 . 1 1 119 119 HIS N N 119 124.930 124.930 126.565 -1.635 26059 4993 1 7 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.097 -0.277 26059 4994 1 7 . 1 1 119 119 HIS C C 119 173.500 173.500 172.985 0.515 26059 4995 1 7 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.911 1.059 26059 4996 1 7 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.882 0.388 26059 4997 1 7 . 1 1 119 119 HIS H H 119 8.790 8.790 8.598 0.192 26059 4998 1 7 . 1 1 120 120 LEU N N 120 128.280 128.280 124.864 3.416 26059 4999 1 7 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.688 0.262 26059 5000 1 7 . 1 1 120 120 LEU C C 120 174.030 174.030 175.644 -1.614 26059 5001 1 7 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.679 0.321 26059 5002 1 7 . 1 1 120 120 LEU CB C 120 46.600 46.600 45.034 1.566 26059 5003 1 7 . 1 1 120 120 LEU H H 120 7.460 7.460 8.341 -0.881 26059 5004 1 7 . 1 1 121 121 ARG N N 121 128.060 128.060 123.022 5.038 26059 5005 1 7 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.651 -0.011 26059 5006 1 7 . 1 1 121 121 ARG C C 121 173.400 173.400 173.917 -0.517 26059 5007 1 7 . 1 1 121 121 ARG CA C 121 54.360 54.360 55.004 -0.644 26059 5008 1 7 . 1 1 121 121 ARG CB C 121 34.260 34.260 34.323 -0.063 26059 5009 1 7 . 1 1 121 121 ARG H H 121 9.860 9.860 8.684 1.176 26059 5010 1 7 . 1 1 122 122 CYS N N 122 125.290 125.290 124.022 1.268 26059 5011 1 7 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.324 -0.304 26059 5012 1 7 . 1 1 122 122 CYS C C 122 174.600 174.600 174.194 0.406 26059 5013 1 7 . 1 1 122 122 CYS CA C 122 58.290 58.290 56.943 1.347 26059 5014 1 7 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.133 -1.103 26059 5015 1 7 . 1 1 122 122 CYS H H 122 8.835 8.835 8.678 0.157 26059 5016 1 7 . 1 1 123 123 GLU N N 123 125.920 125.920 125.067 0.853 26059 5017 1 7 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.507 0.173 26059 5018 1 7 . 1 1 123 123 GLU C C 123 174.500 174.500 174.930 -0.430 26059 5019 1 7 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.699 -0.279 26059 5020 1 7 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.199 0.384 26059 5021 1 7 . 1 1 123 123 GLU H H 123 8.970 8.970 8.973 -0.003 26059 5022 1 7 . 1 1 124 124 LYS N N 124 121.837 121.837 125.093 -3.256 26059 5023 1 7 . 1 1 124 124 LYS HA H 124 4.960 4.960 5.057 -0.097 26059 5024 1 7 . 1 1 124 124 LYS C C 124 175.700 175.700 176.053 -0.353 26059 5025 1 7 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.240 0.117 26059 5026 1 7 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.837 0.352 26059 5027 1 7 . 1 1 124 124 LYS H H 124 8.652 8.652 8.489 0.163 26059 5028 1 7 . 1 1 125 125 LEU N N 125 127.000 127.000 129.762 -2.762 26059 5029 1 7 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.496 0.154 26059 5030 1 7 . 1 1 125 125 LEU C C 125 175.110 175.110 175.409 -0.299 26059 5031 1 7 . 1 1 125 125 LEU CA C 125 53.854 53.854 54.103 -0.249 26059 5032 1 7 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.794 1.473 26059 5033 1 7 . 1 1 125 125 LEU H H 125 9.175 9.175 9.208 -0.033 26059 5034 1 7 . 1 1 126 126 THR N N 126 117.779 117.779 120.273 -2.494 26059 5035 1 7 . 1 1 126 126 THR HA H 126 4.650 4.650 4.594 0.056 26059 5036 1 7 . 1 1 126 126 THR C C 126 173.200 173.200 173.528 -0.328 26059 5037 1 7 . 1 1 126 126 THR CA C 126 62.036 62.036 61.817 0.219 26059 5038 1 7 . 1 1 126 126 THR CB C 126 70.284 70.284 69.655 0.629 26059 5039 1 7 . 1 1 126 126 THR H H 126 8.331 8.331 8.366 -0.035 26059 5040 1 7 . 1 1 127 127 PHE N N 127 126.576 126.576 126.941 -0.365 26059 5041 1 7 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.742 -0.152 26059 5042 1 7 . 1 1 127 127 PHE C C 127 174.860 174.860 174.281 0.579 26059 5043 1 7 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.532 1.331 26059 5044 1 7 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.309 -1.309 26059 5045 1 7 . 1 1 127 127 PHE H H 127 9.051 9.051 9.061 -0.010 26059 5046 1 7 . 1 1 128 128 ASN N N 128 123.040 123.040 122.067 0.973 26059 5047 1 7 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.617 0.003 26059 5048 1 7 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.669 0.811 26059 5049 1 7 . 1 1 128 128 ASN CB C 128 39.460 39.460 39.075 0.385 26059 5050 1 7 . 1 1 128 128 ASN H H 128 8.880 8.880 8.856 0.024 26059 5051 1 7 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.663 0.097 26059 5052 1 7 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.190 -0.290 26059 5053 1 7 . 1 1 129 129 ASN CB C 129 38.730 38.730 38.388 0.342 26059 5054 1 7 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.532 0.258 26059 5055 1 7 . 1 1 130 130 PRO C C 130 177.470 177.470 176.023 1.447 26059 5056 1 7 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.681 -0.107 26059 5057 1 7 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.603 -0.293 26059 5058 1 7 . 1 1 131 131 THR N N 131 113.400 113.400 110.698 2.702 26059 5059 1 7 . 1 1 131 131 THR HA H 131 4.300 4.300 4.311 -0.011 26059 5060 1 7 . 1 1 131 131 THR C C 131 175.200 175.200 176.000 -0.800 26059 5061 1 7 . 1 1 131 131 THR CA C 131 62.200 62.200 61.118 1.082 26059 5062 1 7 . 1 1 131 131 THR CB C 131 70.600 70.600 69.902 0.698 26059 5063 1 7 . 1 1 131 131 THR H H 131 8.950 8.950 8.063 0.887 26059 5064 1 7 . 1 1 132 132 GLU N N 132 122.199 122.199 124.750 -2.551 26059 5065 1 7 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.862 0.148 26059 5066 1 7 . 1 1 132 132 GLU C C 132 178.700 178.700 177.982 0.718 26059 5067 1 7 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.696 -0.402 26059 5068 1 7 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.552 -0.391 26059 5069 1 7 . 1 1 132 132 GLU H H 132 8.932 8.932 9.029 -0.097 26059 5070 1 7 . 1 1 133 133 ASP N N 133 116.324 116.324 117.743 -1.419 26059 5071 1 7 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.394 -0.064 26059 5072 1 7 . 1 1 133 133 ASP C C 133 177.800 177.800 178.333 -0.533 26059 5073 1 7 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.846 0.514 26059 5074 1 7 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.811 2.012 26059 5075 1 7 . 1 1 133 133 ASP H H 133 8.490 8.490 8.830 -0.340 26059 5076 1 7 . 1 1 134 134 PHE N N 134 119.914 119.914 122.158 -2.244 26059 5077 1 7 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.223 0.387 26059 5078 1 7 . 1 1 134 134 PHE C C 134 177.300 177.300 177.099 0.201 26059 5079 1 7 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.173 -0.636 26059 5080 1 7 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.421 -0.221 26059 5081 1 7 . 1 1 134 134 PHE H H 134 7.787 7.787 7.660 0.127 26059 5082 1 7 . 1 1 135 135 ARG N N 135 119.794 119.794 120.621 -0.827 26059 5083 1 7 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.774 -0.424 26059 5084 1 7 . 1 1 135 135 ARG C C 135 177.370 177.370 178.125 -0.755 26059 5085 1 7 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.118 0.258 26059 5086 1 7 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.033 0.363 26059 5087 1 7 . 1 1 135 135 ARG H H 135 9.087 9.087 8.609 0.478 26059 5088 1 7 . 1 1 136 136 ARG N N 136 114.554 114.554 118.730 -4.176 26059 5089 1 7 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.982 -0.162 26059 5090 1 7 . 1 1 136 136 ARG C C 136 178.950 178.950 178.656 0.294 26059 5091 1 7 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.603 -0.303 26059 5092 1 7 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.045 0.172 26059 5093 1 7 . 1 1 136 136 ARG H H 136 7.747 7.747 8.534 -0.787 26059 5094 1 7 . 1 1 137 137 LYS N N 137 118.298 118.298 119.049 -0.751 26059 5095 1 7 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.006 -0.106 26059 5096 1 7 . 1 1 137 137 LYS C C 137 177.980 177.980 178.864 -0.884 26059 5097 1 7 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.450 0.945 26059 5098 1 7 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.296 0.151 26059 5099 1 7 . 1 1 137 137 LYS H H 137 7.154 7.154 7.424 -0.270 26059 5100 1 7 . 1 1 138 138 LEU N N 138 117.159 117.159 119.258 -2.099 26059 5101 1 7 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.798 -0.378 26059 5102 1 7 . 1 1 138 138 LEU C C 138 179.100 179.100 178.607 0.493 26059 5103 1 7 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.246 -0.015 26059 5104 1 7 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.619 0.709 26059 5105 1 7 . 1 1 138 138 LEU H H 138 7.709 7.709 7.821 -0.112 26059 5106 1 7 . 1 1 139 139 LEU N N 139 115.158 115.158 117.026 -1.868 26059 5107 1 7 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.101 0.049 26059 5108 1 7 . 1 1 139 139 LEU C C 139 177.600 177.600 178.476 -0.876 26059 5109 1 7 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.715 -1.186 26059 5110 1 7 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.896 -0.152 26059 5111 1 7 . 1 1 139 139 LEU H H 139 7.507 7.507 8.209 -0.702 26059 5112 1 7 . 1 1 140 140 LYS N N 140 120.256 120.256 119.087 1.169 26059 5113 1 7 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.041 0.069 26059 5114 1 7 . 1 1 140 140 LYS C C 140 175.800 175.800 176.937 -1.137 26059 5115 1 7 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.298 -0.246 26059 5116 1 7 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.758 -0.112 26059 5117 1 7 . 1 1 140 140 LYS H H 140 7.304 7.304 7.525 -0.221 26059 5118 1 8 . 1 1 4 4 MET C C 4 175.800 175.800 174.405 1.395 26059 5119 1 8 . 1 1 4 4 MET CA C 4 55.350 55.350 55.859 -0.509 26059 5120 1 8 . 1 1 4 4 MET CB C 4 32.880 32.880 34.772 -1.892 26059 5121 1 8 . 1 1 5 5 ALA N N 5 125.230 125.230 128.467 -3.237 26059 5122 1 8 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.525 -0.175 26059 5123 1 8 . 1 1 5 5 ALA CA C 5 52.430 52.430 52.617 -0.187 26059 5124 1 8 . 1 1 5 5 ALA CB C 5 19.370 19.370 19.585 -0.215 26059 5125 1 8 . 1 1 5 5 ALA H H 5 8.320 8.320 8.580 -0.260 26059 5126 1 8 . 1 1 6 6 SER HA H 6 4.490 4.490 4.740 -0.250 26059 5127 1 8 . 1 1 6 6 SER CA C 6 58.200 58.200 56.947 1.253 26059 5128 1 8 . 1 1 6 6 SER CB C 6 63.700 63.700 63.954 -0.254 26059 5129 1 8 . 1 1 7 7 SER HA H 7 4.530 4.530 4.844 -0.314 26059 5130 1 8 . 1 1 7 7 SER CA C 7 58.200 58.200 58.167 0.033 26059 5131 1 8 . 1 1 7 7 SER CB C 7 63.700 63.700 62.865 0.835 26059 5132 1 8 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.560 0.050 26059 5133 1 8 . 1 1 8 8 CYS C C 8 173.500 173.500 172.930 0.570 26059 5134 1 8 . 1 1 8 8 CYS CA C 8 58.340 58.340 57.330 1.010 26059 5135 1 8 . 1 1 8 8 CYS CB C 8 28.490 28.490 28.761 -0.271 26059 5136 1 8 . 1 1 9 9 ALA N N 9 124.700 124.700 131.203 -6.503 26059 5137 1 8 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.097 -0.307 26059 5138 1 8 . 1 1 9 9 ALA C C 9 177.400 177.400 176.341 1.059 26059 5139 1 8 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.490 1.580 26059 5140 1 8 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.463 0.166 26059 5141 1 8 . 1 1 9 9 ALA H H 9 7.960 7.960 8.312 -0.352 26059 5142 1 8 . 1 1 10 10 VAL N N 10 120.124 120.124 123.937 -3.813 26059 5143 1 8 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.309 -0.019 26059 5144 1 8 . 1 1 10 10 VAL C C 10 173.900 173.900 174.900 -1.000 26059 5145 1 8 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.353 0.196 26059 5146 1 8 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.375 1.525 26059 5147 1 8 . 1 1 10 10 VAL H H 10 8.424 8.424 8.380 0.044 26059 5148 1 8 . 1 1 11 11 GLN N N 11 125.818 125.818 124.750 1.068 26059 5149 1 8 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.286 0.274 26059 5150 1 8 . 1 1 11 11 GLN C C 11 175.400 175.400 175.296 0.104 26059 5151 1 8 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.502 -0.378 26059 5152 1 8 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.600 1.429 26059 5153 1 8 . 1 1 11 11 GLN H H 11 8.636 8.636 8.404 0.232 26059 5154 1 8 . 1 1 12 12 VAL N N 12 119.106 119.106 118.630 0.476 26059 5155 1 8 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.349 0.281 26059 5156 1 8 . 1 1 12 12 VAL C C 12 173.800 173.800 174.628 -0.828 26059 5157 1 8 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.562 0.238 26059 5158 1 8 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.519 2.192 26059 5159 1 8 . 1 1 12 12 VAL H H 12 8.827 8.827 8.618 0.209 26059 5160 1 8 . 1 1 13 13 LYS N N 13 121.700 121.700 120.459 1.241 26059 5161 1 8 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.468 -0.269 26059 5162 1 8 . 1 1 13 13 LYS C C 13 175.030 175.030 175.494 -0.464 26059 5163 1 8 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.540 -0.110 26059 5164 1 8 . 1 1 13 13 LYS CB C 13 35.920 35.920 36.081 -0.161 26059 5165 1 8 . 1 1 13 13 LYS H H 13 8.234 8.234 8.345 -0.111 26059 5166 1 8 . 1 1 14 14 LEU N N 14 119.100 119.100 122.194 -3.094 26059 5167 1 8 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.032 -0.082 26059 5168 1 8 . 1 1 14 14 LEU C C 14 175.110 175.110 174.972 0.138 26059 5169 1 8 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.425 -0.068 26059 5170 1 8 . 1 1 14 14 LEU CB C 14 46.921 46.921 46.677 0.244 26059 5171 1 8 . 1 1 14 14 LEU H H 14 8.840 8.840 8.998 -0.158 26059 5172 1 8 . 1 1 15 15 GLU N N 15 120.978 120.978 122.679 -1.701 26059 5173 1 8 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.226 -0.236 26059 5174 1 8 . 1 1 15 15 GLU C C 15 173.800 173.800 174.789 -0.989 26059 5175 1 8 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.323 1.105 26059 5176 1 8 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.647 -0.821 26059 5177 1 8 . 1 1 15 15 GLU H H 15 9.181 9.181 9.163 0.018 26059 5178 1 8 . 1 1 16 16 LEU N N 16 124.438 124.438 127.076 -2.638 26059 5179 1 8 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.300 -0.190 26059 5180 1 8 . 1 1 16 16 LEU C C 16 174.700 174.700 176.103 -1.403 26059 5181 1 8 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.871 0.205 26059 5182 1 8 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.719 3.173 26059 5183 1 8 . 1 1 16 16 LEU H H 16 8.891 8.891 8.349 0.542 26059 5184 1 8 . 1 1 17 17 GLY N N 17 108.067 108.067 110.457 -2.390 26059 5185 1 8 . 1 1 17 17 GLY C C 17 170.350 170.350 171.653 -1.303 26059 5186 1 8 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.750 2.234 26059 5187 1 8 . 1 1 17 17 GLY H H 17 7.227 7.227 8.964 -1.737 26059 5188 1 8 . 1 1 18 18 HIS N N 18 111.200 111.200 116.747 -5.547 26059 5189 1 8 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.100 0.520 26059 5190 1 8 . 1 1 18 18 HIS C C 18 172.400 172.400 172.562 -0.162 26059 5191 1 8 . 1 1 18 18 HIS CA C 18 54.940 54.940 55.014 -0.074 26059 5192 1 8 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.389 1.771 26059 5193 1 8 . 1 1 18 18 HIS H H 18 8.150 8.150 8.575 -0.425 26059 5194 1 8 . 1 1 19 19 ARG N N 19 117.800 117.800 120.684 -2.884 26059 5195 1 8 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.065 0.035 26059 5196 1 8 . 1 1 19 19 ARG C C 19 175.800 175.800 174.253 1.547 26059 5197 1 8 . 1 1 19 19 ARG CA C 19 53.500 53.500 53.961 -0.461 26059 5198 1 8 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.682 -0.032 26059 5199 1 8 . 1 1 19 19 ARG H H 19 9.010 9.010 8.566 0.444 26059 5200 1 8 . 1 1 20 20 ALA N N 20 120.390 120.390 124.043 -3.653 26059 5201 1 8 . 1 1 20 20 ALA HA H 20 5.540 5.540 4.930 0.610 26059 5202 1 8 . 1 1 20 20 ALA C C 20 175.800 175.800 175.005 0.795 26059 5203 1 8 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.844 0.745 26059 5204 1 8 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.689 1.061 26059 5205 1 8 . 1 1 20 20 ALA H H 20 8.070 8.070 8.726 -0.656 26059 5206 1 8 . 1 1 21 21 GLN N N 21 121.790 121.790 123.824 -2.034 26059 5207 1 8 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.056 0.174 26059 5208 1 8 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.974 0.356 26059 5209 1 8 . 1 1 21 21 GLN CB C 21 32.900 32.900 33.492 -0.592 26059 5210 1 8 . 1 1 21 21 GLN H H 21 9.240 9.240 8.409 0.831 26059 5211 1 8 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.523 -0.893 26059 5212 1 8 . 1 1 22 22 VAL C C 22 176.500 176.500 175.162 1.338 26059 5213 1 8 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.069 2.962 26059 5214 1 8 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.477 -2.877 26059 5215 1 8 . 1 1 23 23 ARG N N 23 127.840 127.840 126.378 1.462 26059 5216 1 8 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.678 -0.548 26059 5217 1 8 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.531 1.669 26059 5218 1 8 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.823 0.327 26059 5219 1 8 . 1 1 23 23 ARG H H 23 8.720 8.720 8.503 0.217 26059 5220 1 8 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.244 -0.204 26059 5221 1 8 . 1 1 24 24 LYS C C 24 176.960 176.960 176.521 0.439 26059 5222 1 8 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.242 1.558 26059 5223 1 8 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.310 -0.250 26059 5224 1 8 . 1 1 25 25 LYS N N 25 115.870 115.870 120.124 -4.254 26059 5225 1 8 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.770 0.060 26059 5226 1 8 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.418 -0.458 26059 5227 1 8 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.569 1.511 26059 5228 1 8 . 1 1 25 25 LYS H H 25 7.720 7.720 7.635 0.085 26059 5229 1 8 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.791 0.039 26059 5230 1 8 . 1 1 26 26 PRO C C 26 177.400 177.400 176.876 0.524 26059 5231 1 8 . 1 1 26 26 PRO CA C 26 62.650 62.650 62.889 -0.238 26059 5232 1 8 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.355 0.035 26059 5233 1 8 . 1 1 27 27 THR N N 27 111.270 111.270 115.915 -4.645 26059 5234 1 8 . 1 1 27 27 THR HA H 27 4.530 4.530 4.344 0.186 26059 5235 1 8 . 1 1 27 27 THR C C 27 177.300 177.300 176.978 0.322 26059 5236 1 8 . 1 1 27 27 THR CA C 27 61.300 61.300 60.773 0.527 26059 5237 1 8 . 1 1 27 27 THR CB C 27 71.460 71.460 70.253 1.207 26059 5238 1 8 . 1 1 27 27 THR H H 27 8.380 8.380 8.122 0.258 26059 5239 1 8 . 1 1 28 28 VAL N N 28 121.170 121.170 118.739 2.431 26059 5240 1 8 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.944 -0.061 26059 5241 1 8 . 1 1 28 28 VAL C C 28 177.030 177.030 176.155 0.875 26059 5242 1 8 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.694 0.506 26059 5243 1 8 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.665 -0.265 26059 5244 1 8 . 1 1 28 28 VAL H H 28 8.910 8.910 8.524 0.386 26059 5245 1 8 . 1 1 29 29 GLU N N 29 116.800 116.800 120.337 -3.537 26059 5246 1 8 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.093 -0.173 26059 5247 1 8 . 1 1 29 29 GLU C C 29 176.200 176.200 176.417 -0.217 26059 5248 1 8 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.315 1.935 26059 5249 1 8 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.510 -0.340 26059 5250 1 8 . 1 1 29 29 GLU H H 29 7.990 7.990 7.934 0.056 26059 5251 1 8 . 1 1 30 30 GLY N N 30 105.500 105.500 107.761 -2.261 26059 5252 1 8 . 1 1 30 30 GLY C C 30 174.900 174.900 173.731 1.169 26059 5253 1 8 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.290 -0.830 26059 5254 1 8 . 1 1 30 30 GLY H H 30 7.950 7.950 7.645 0.305 26059 5255 1 8 . 1 1 31 31 PHE N N 31 119.300 119.300 117.746 1.554 26059 5256 1 8 . 1 1 31 31 PHE HA H 31 4.760 4.760 5.026 -0.266 26059 5257 1 8 . 1 1 31 31 PHE C C 31 176.400 176.400 175.952 0.448 26059 5258 1 8 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.558 1.342 26059 5259 1 8 . 1 1 31 31 PHE CB C 31 35.500 35.500 40.603 -5.104 26059 5260 1 8 . 1 1 31 31 PHE H H 31 7.520 7.520 7.402 0.118 26059 5261 1 8 . 1 1 32 32 THR N N 32 112.300 112.300 115.203 -2.903 26059 5262 1 8 . 1 1 32 32 THR HA H 32 4.330 4.330 4.474 -0.144 26059 5263 1 8 . 1 1 32 32 THR C C 32 175.200 175.200 174.445 0.755 26059 5264 1 8 . 1 1 32 32 THR CA C 32 62.780 62.780 62.845 -0.065 26059 5265 1 8 . 1 1 32 32 THR CB C 32 70.350 70.350 69.895 0.455 26059 5266 1 8 . 1 1 32 32 THR H H 32 7.770 7.770 8.991 -1.221 26059 5267 1 8 . 1 1 33 33 HIS N N 33 121.900 121.900 121.389 0.511 26059 5268 1 8 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.434 0.066 26059 5269 1 8 . 1 1 33 33 HIS C C 33 173.880 173.880 173.651 0.229 26059 5270 1 8 . 1 1 33 33 HIS CA C 33 56.780 56.780 56.245 0.535 26059 5271 1 8 . 1 1 33 33 HIS CB C 33 35.640 35.640 32.969 2.671 26059 5272 1 8 . 1 1 33 33 HIS H H 33 9.110 9.110 8.766 0.344 26059 5273 1 8 . 1 1 34 34 ASP N N 34 120.300 120.300 122.629 -2.329 26059 5274 1 8 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.515 -0.115 26059 5275 1 8 . 1 1 34 34 ASP C C 34 175.100 175.100 175.259 -0.159 26059 5276 1 8 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.588 -0.278 26059 5277 1 8 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.163 -0.163 26059 5278 1 8 . 1 1 34 34 ASP H H 34 8.810 8.810 9.014 -0.204 26059 5279 1 8 . 1 1 35 35 TRP N N 35 119.800 119.800 122.865 -3.065 26059 5280 1 8 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.641 0.089 26059 5281 1 8 . 1 1 35 35 TRP C C 35 174.900 174.900 173.687 1.213 26059 5282 1 8 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.273 0.627 26059 5283 1 8 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.709 1.961 26059 5284 1 8 . 1 1 35 35 TRP H H 35 9.250 9.250 8.853 0.397 26059 5285 1 8 . 1 1 36 36 MET N N 36 120.980 120.980 122.896 -1.916 26059 5286 1 8 . 1 1 36 36 MET HA H 36 5.750 5.750 5.884 -0.134 26059 5287 1 8 . 1 1 36 36 MET C C 36 173.700 173.700 174.684 -0.984 26059 5288 1 8 . 1 1 36 36 MET CA C 36 54.830 54.830 53.922 0.908 26059 5289 1 8 . 1 1 36 36 MET CB C 36 35.220 35.220 36.090 -0.869 26059 5290 1 8 . 1 1 36 36 MET H H 36 9.080 9.080 8.892 0.188 26059 5291 1 8 . 1 1 37 37 VAL N N 37 126.220 126.220 122.067 4.153 26059 5292 1 8 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.067 0.243 26059 5293 1 8 . 1 1 37 37 VAL C C 37 172.300 172.300 174.421 -2.121 26059 5294 1 8 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.568 -1.028 26059 5295 1 8 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.239 1.831 26059 5296 1 8 . 1 1 37 37 VAL H H 37 9.080 9.080 8.919 0.161 26059 5297 1 8 . 1 1 38 38 PHE N N 38 120.640 120.640 118.590 2.050 26059 5298 1 8 . 1 1 38 38 PHE HA H 38 5.970 5.970 5.879 0.091 26059 5299 1 8 . 1 1 38 38 PHE C C 38 172.960 172.960 173.497 -0.537 26059 5300 1 8 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.567 0.563 26059 5301 1 8 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.469 0.530 26059 5302 1 8 . 1 1 38 38 PHE H H 38 8.320 8.320 8.647 -0.327 26059 5303 1 8 . 1 1 39 39 VAL N N 39 116.500 116.500 118.032 -1.532 26059 5304 1 8 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.782 -0.772 26059 5305 1 8 . 1 1 39 39 VAL C C 39 174.700 174.700 174.860 -0.160 26059 5306 1 8 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.191 1.450 26059 5307 1 8 . 1 1 39 39 VAL CB C 39 35.400 35.400 34.678 0.722 26059 5308 1 8 . 1 1 39 39 VAL H H 39 8.580 8.580 9.001 -0.421 26059 5309 1 8 . 1 1 40 40 ARG N N 40 124.100 124.100 125.314 -1.214 26059 5310 1 8 . 1 1 40 40 ARG HA H 40 5.080 5.080 4.936 0.144 26059 5311 1 8 . 1 1 40 40 ARG C C 40 173.800 173.800 175.243 -1.443 26059 5312 1 8 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.533 0.767 26059 5313 1 8 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.615 -1.035 26059 5314 1 8 . 1 1 40 40 ARG H H 40 9.880 9.880 8.966 0.914 26059 5315 1 8 . 1 1 41 41 GLY N N 41 107.640 107.640 108.943 -1.303 26059 5316 1 8 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.935 1.035 26059 5317 1 8 . 1 1 41 41 GLY H H 41 8.910 8.910 8.591 0.319 26059 5318 1 8 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.429 0.061 26059 5319 1 8 . 1 1 42 42 PRO C C 42 177.300 177.300 176.950 0.350 26059 5320 1 8 . 1 1 42 42 PRO CA C 42 62.440 62.440 62.770 -0.330 26059 5321 1 8 . 1 1 42 42 PRO CB C 42 32.110 32.110 32.655 -0.545 26059 5322 1 8 . 1 1 43 43 GLU N N 43 121.050 121.050 121.593 -0.543 26059 5323 1 8 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.934 -0.144 26059 5324 1 8 . 1 1 43 43 GLU C C 43 176.110 176.110 175.756 0.354 26059 5325 1 8 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.593 0.257 26059 5326 1 8 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.401 0.449 26059 5327 1 8 . 1 1 43 43 GLU H H 43 9.060 9.060 8.887 0.173 26059 5328 1 8 . 1 1 44 44 HIS N N 44 114.100 114.100 112.819 1.281 26059 5329 1 8 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.196 0.155 26059 5330 1 8 . 1 1 44 44 HIS C C 44 175.170 175.170 173.976 1.194 26059 5331 1 8 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.123 0.527 26059 5332 1 8 . 1 1 44 44 HIS CB C 44 28.370 28.370 29.595 -1.225 26059 5333 1 8 . 1 1 44 44 HIS H H 44 8.420 8.420 8.685 -0.265 26059 5334 1 8 . 1 1 45 45 SER N N 45 115.540 115.540 115.116 0.424 26059 5335 1 8 . 1 1 45 45 SER HA H 45 4.560 4.560 4.514 0.046 26059 5336 1 8 . 1 1 45 45 SER C C 45 173.700 173.700 173.947 -0.247 26059 5337 1 8 . 1 1 45 45 SER CA C 45 58.710 58.710 59.483 -0.773 26059 5338 1 8 . 1 1 45 45 SER CB C 45 64.500 64.500 64.265 0.235 26059 5339 1 8 . 1 1 45 45 SER H H 45 7.870 7.870 7.671 0.199 26059 5340 1 8 . 1 1 46 46 ASN N N 46 123.900 123.900 122.193 1.707 26059 5341 1 8 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.953 0.167 26059 5342 1 8 . 1 1 46 46 ASN C C 46 176.300 176.300 175.298 1.002 26059 5343 1 8 . 1 1 46 46 ASN CA C 46 52.690 52.690 51.761 0.929 26059 5344 1 8 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.799 -1.069 26059 5345 1 8 . 1 1 46 46 ASN H H 46 9.480 9.480 8.406 1.074 26059 5346 1 8 . 1 1 47 47 ILE N N 47 115.240 115.240 120.441 -5.201 26059 5347 1 8 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.014 -0.074 26059 5348 1 8 . 1 1 47 47 ILE C C 47 176.000 176.000 176.495 -0.495 26059 5349 1 8 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.460 1.740 26059 5350 1 8 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.136 -0.436 26059 5351 1 8 . 1 1 47 47 ILE H H 47 8.170 8.170 8.690 -0.520 26059 5352 1 8 . 1 1 48 48 GLN N N 48 123.200 123.200 120.999 2.201 26059 5353 1 8 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.092 0.188 26059 5354 1 8 . 1 1 48 48 GLN C C 48 175.670 175.670 176.847 -1.177 26059 5355 1 8 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.157 -0.257 26059 5356 1 8 . 1 1 48 48 GLN CB C 48 26.990 26.990 28.375 -1.385 26059 5357 1 8 . 1 1 48 48 GLN H H 48 8.850 8.850 8.700 0.150 26059 5358 1 8 . 1 1 49 49 HIS N N 49 115.400 115.400 117.787 -2.387 26059 5359 1 8 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.317 0.253 26059 5360 1 8 . 1 1 49 49 HIS C C 49 176.380 176.380 176.684 -0.304 26059 5361 1 8 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.737 -0.987 26059 5362 1 8 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.312 1.308 26059 5363 1 8 . 1 1 49 49 HIS H H 49 7.400 7.400 7.681 -0.281 26059 5364 1 8 . 1 1 50 50 PHE N N 50 109.800 109.800 111.531 -1.731 26059 5365 1 8 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.852 0.378 26059 5366 1 8 . 1 1 50 50 PHE C C 50 173.800 173.800 175.016 -1.216 26059 5367 1 8 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.039 -0.379 26059 5368 1 8 . 1 1 50 50 PHE CB C 50 41.000 41.000 39.658 1.342 26059 5369 1 8 . 1 1 50 50 PHE H H 50 7.570 7.570 7.344 0.226 26059 5370 1 8 . 1 1 51 51 VAL N N 51 127.810 127.810 121.292 6.518 26059 5371 1 8 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.680 -0.310 26059 5372 1 8 . 1 1 51 51 VAL C C 51 174.500 174.500 175.561 -1.061 26059 5373 1 8 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.696 0.304 26059 5374 1 8 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.769 0.511 26059 5375 1 8 . 1 1 51 51 VAL H H 51 7.810 7.810 8.166 -0.356 26059 5376 1 8 . 1 1 52 52 GLU N N 52 130.700 130.700 129.283 1.417 26059 5377 1 8 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.450 -0.470 26059 5378 1 8 . 1 1 52 52 GLU C C 52 175.400 175.400 175.437 -0.037 26059 5379 1 8 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.778 0.222 26059 5380 1 8 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.702 -0.122 26059 5381 1 8 . 1 1 52 52 GLU H H 52 9.380 9.380 9.172 0.208 26059 5382 1 8 . 1 1 53 53 LYS N N 53 109.200 109.200 116.912 -7.712 26059 5383 1 8 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.869 -0.069 26059 5384 1 8 . 1 1 53 53 LYS C C 53 172.300 172.300 174.050 -1.750 26059 5385 1 8 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.768 0.072 26059 5386 1 8 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.955 -1.705 26059 5387 1 8 . 1 1 53 53 LYS H H 53 7.190 7.190 7.436 -0.246 26059 5388 1 8 . 1 1 54 54 VAL N N 54 120.380 120.380 121.265 -0.885 26059 5389 1 8 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.838 -0.068 26059 5390 1 8 . 1 1 54 54 VAL C C 54 173.600 173.600 173.856 -0.256 26059 5391 1 8 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.231 0.809 26059 5392 1 8 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.656 -0.956 26059 5393 1 8 . 1 1 54 54 VAL H H 54 8.450 8.450 8.380 0.070 26059 5394 1 8 . 1 1 55 55 VAL N N 55 126.920 126.920 121.724 5.196 26059 5395 1 8 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.335 -0.635 26059 5396 1 8 . 1 1 55 55 VAL C C 55 173.800 173.800 173.453 0.347 26059 5397 1 8 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.404 1.466 26059 5398 1 8 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.972 -1.872 26059 5399 1 8 . 1 1 55 55 VAL H H 55 9.260 9.260 8.503 0.757 26059 5400 1 8 . 1 1 56 56 PHE N N 56 126.130 126.130 127.042 -0.912 26059 5401 1 8 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.854 -0.132 26059 5402 1 8 . 1 1 56 56 PHE C C 56 174.000 174.000 174.865 -0.865 26059 5403 1 8 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.103 0.477 26059 5404 1 8 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.592 0.298 26059 5405 1 8 . 1 1 56 56 PHE H H 56 9.290 9.290 9.072 0.218 26059 5406 1 8 . 1 1 57 57 HIS N N 57 124.180 124.180 125.338 -1.158 26059 5407 1 8 . 1 1 57 57 HIS HA H 57 4.800 4.800 5.012 -0.212 26059 5408 1 8 . 1 1 57 57 HIS C C 57 174.700 174.700 175.126 -0.426 26059 5409 1 8 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.753 -1.433 26059 5410 1 8 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.191 1.909 26059 5411 1 8 . 1 1 57 57 HIS H H 57 8.690 8.690 8.209 0.481 26059 5412 1 8 . 1 1 58 58 LEU N N 58 122.050 122.050 123.974 -1.924 26059 5413 1 8 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.605 -0.295 26059 5414 1 8 . 1 1 58 58 LEU C C 58 174.400 174.400 176.812 -2.412 26059 5415 1 8 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.114 1.296 26059 5416 1 8 . 1 1 58 58 LEU CB C 58 41.160 41.160 43.018 -1.858 26059 5417 1 8 . 1 1 58 58 LEU H H 58 9.050 9.050 8.772 0.278 26059 5418 1 8 . 1 1 59 59 HIS N N 59 118.510 118.510 118.212 0.298 26059 5419 1 8 . 1 1 59 59 HIS C C 59 175.300 175.300 176.653 -1.353 26059 5420 1 8 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.393 3.717 26059 5421 1 8 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.956 -1.026 26059 5422 1 8 . 1 1 59 59 HIS H H 59 5.160 5.160 7.991 -2.831 26059 5423 1 8 . 1 1 60 60 GLU N N 60 122.190 122.190 123.539 -1.349 26059 5424 1 8 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.102 -0.142 26059 5425 1 8 . 1 1 60 60 GLU C C 60 175.130 175.130 177.014 -1.884 26059 5426 1 8 . 1 1 60 60 GLU CA C 60 59.010 59.010 58.840 0.170 26059 5427 1 8 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.655 0.165 26059 5428 1 8 . 1 1 60 60 GLU H H 60 7.960 7.960 8.383 -0.423 26059 5429 1 8 . 1 1 61 61 SER N N 61 116.940 116.940 114.032 2.908 26059 5430 1 8 . 1 1 61 61 SER HA H 61 4.200 4.200 4.296 -0.096 26059 5431 1 8 . 1 1 61 61 SER CA C 61 60.010 60.010 60.132 -0.122 26059 5432 1 8 . 1 1 61 61 SER CB C 61 63.140 63.140 63.597 -0.457 26059 5433 1 8 . 1 1 61 61 SER H H 61 8.540 8.540 7.685 0.855 26059 5434 1 8 . 1 1 62 62 PHE N N 62 123.700 123.700 122.310 1.390 26059 5435 1 8 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.832 -0.242 26059 5436 1 8 . 1 1 62 62 PHE CA C 62 57.400 57.400 55.653 1.747 26059 5437 1 8 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.244 -0.844 26059 5438 1 8 . 1 1 62 62 PHE H H 62 8.640 8.640 8.075 0.565 26059 5439 1 8 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.588 -0.178 26059 5440 1 8 . 1 1 63 63 PRO C C 63 176.400 176.400 176.269 0.131 26059 5441 1 8 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.145 -0.545 26059 5442 1 8 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.195 -0.335 26059 5443 1 8 . 1 1 64 64 ARG N N 64 116.840 116.840 120.481 -3.641 26059 5444 1 8 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.108 -0.008 26059 5445 1 8 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.051 -0.441 26059 5446 1 8 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.717 0.113 26059 5447 1 8 . 1 1 64 64 ARG H H 64 8.890 8.890 8.891 -0.001 26059 5448 1 8 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.356 -0.366 26059 5449 1 8 . 1 1 65 65 PRO C C 65 175.800 175.800 176.529 -0.729 26059 5450 1 8 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.528 1.282 26059 5451 1 8 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.229 -0.349 26059 5452 1 8 . 1 1 66 66 LYS N N 66 119.035 119.035 119.433 -0.398 26059 5453 1 8 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.565 0.045 26059 5454 1 8 . 1 1 66 66 LYS C C 66 175.400 175.400 175.481 -0.081 26059 5455 1 8 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.033 0.420 26059 5456 1 8 . 1 1 66 66 LYS CB C 66 31.730 31.730 33.489 -1.759 26059 5457 1 8 . 1 1 66 66 LYS H H 66 7.630 7.630 7.873 -0.243 26059 5458 1 8 . 1 1 67 67 ARG N N 67 127.394 127.394 127.979 -0.585 26059 5459 1 8 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.695 0.045 26059 5460 1 8 . 1 1 67 67 ARG C C 67 174.500 174.500 175.088 -0.588 26059 5461 1 8 . 1 1 67 67 ARG CA C 67 52.800 52.800 53.150 -0.350 26059 5462 1 8 . 1 1 67 67 ARG CB C 67 29.714 29.714 30.433 -0.719 26059 5463 1 8 . 1 1 67 67 ARG H H 67 8.855 8.855 8.386 0.469 26059 5464 1 8 . 1 1 68 68 VAL N N 68 124.388 124.388 120.955 3.433 26059 5465 1 8 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.371 -0.791 26059 5466 1 8 . 1 1 68 68 VAL C C 68 176.850 176.850 176.058 0.792 26059 5467 1 8 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.475 1.597 26059 5468 1 8 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.276 0.328 26059 5469 1 8 . 1 1 68 68 VAL H H 68 8.681 8.681 8.315 0.366 26059 5470 1 8 . 1 1 69 69 CYS N N 69 127.080 127.080 127.291 -0.211 26059 5471 1 8 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.859 0.211 26059 5472 1 8 . 1 1 69 69 CYS CA C 69 58.346 58.346 57.977 0.369 26059 5473 1 8 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.370 0.800 26059 5474 1 8 . 1 1 69 69 CYS H H 69 9.455 9.455 9.180 0.275 26059 5475 1 8 . 1 1 70 70 LYS N N 70 125.480 125.480 124.062 1.418 26059 5476 1 8 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.641 -0.151 26059 5477 1 8 . 1 1 70 70 LYS C C 70 174.300 174.300 176.328 -2.028 26059 5478 1 8 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.180 0.180 26059 5479 1 8 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.554 -0.384 26059 5480 1 8 . 1 1 70 70 LYS H H 70 9.050 9.050 8.702 0.348 26059 5481 1 8 . 1 1 71 71 ASP N N 71 116.940 116.940 122.172 -5.232 26059 5482 1 8 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.786 0.314 26059 5483 1 8 . 1 1 71 71 ASP CA C 71 51.080 51.080 53.565 -2.485 26059 5484 1 8 . 1 1 71 71 ASP CB C 71 43.380 43.380 40.287 3.093 26059 5485 1 8 . 1 1 71 71 ASP H H 71 7.620 7.620 8.217 -0.597 26059 5486 1 8 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.264 -1.004 26059 5487 1 8 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.684 -2.034 26059 5488 1 8 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.970 -0.930 26059 5489 1 8 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.964 0.136 26059 5490 1 8 . 1 1 73 73 PRO C C 73 174.700 174.700 176.325 -1.625 26059 5491 1 8 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.830 -2.140 26059 5492 1 8 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.477 2.563 26059 5493 1 8 . 1 1 74 74 TYR N N 74 125.400 125.400 124.083 1.317 26059 5494 1 8 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.380 0.470 26059 5495 1 8 . 1 1 74 74 TYR C C 74 172.900 172.900 175.295 -2.395 26059 5496 1 8 . 1 1 74 74 TYR CA C 74 55.670 55.670 58.862 -3.192 26059 5497 1 8 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.521 -1.121 26059 5498 1 8 . 1 1 74 74 TYR H H 74 8.960 8.960 8.385 0.575 26059 5499 1 8 . 1 1 75 75 LYS N N 75 121.400 121.400 119.621 1.779 26059 5500 1 8 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.509 0.081 26059 5501 1 8 . 1 1 75 75 LYS C C 75 173.800 173.800 174.892 -1.092 26059 5502 1 8 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.248 0.402 26059 5503 1 8 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.171 -1.281 26059 5504 1 8 . 1 1 75 75 LYS H H 75 7.670 7.670 7.954 -0.284 26059 5505 1 8 . 1 1 76 76 VAL N N 76 119.800 119.800 122.552 -2.752 26059 5506 1 8 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.279 -0.389 26059 5507 1 8 . 1 1 76 76 VAL C C 76 173.900 173.900 174.406 -0.506 26059 5508 1 8 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.455 1.275 26059 5509 1 8 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.057 0.483 26059 5510 1 8 . 1 1 76 76 VAL H H 76 8.180 8.180 8.614 -0.434 26059 5511 1 8 . 1 1 77 77 GLU N N 77 126.190 126.190 126.480 -0.290 26059 5512 1 8 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.098 -0.148 26059 5513 1 8 . 1 1 77 77 GLU C C 77 174.700 174.700 175.311 -0.611 26059 5514 1 8 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.893 0.047 26059 5515 1 8 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.534 0.016 26059 5516 1 8 . 1 1 77 77 GLU H H 77 8.270 8.270 8.720 -0.450 26059 5517 1 8 . 1 1 78 78 GLU N N 78 126.180 126.180 123.711 2.469 26059 5518 1 8 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.614 -0.164 26059 5519 1 8 . 1 1 78 78 GLU C C 78 175.400 175.400 173.652 1.748 26059 5520 1 8 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.067 -0.067 26059 5521 1 8 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.931 3.169 26059 5522 1 8 . 1 1 78 78 GLU H H 78 7.870 7.870 8.003 -0.133 26059 5523 1 8 . 1 1 79 79 SER N N 79 112.109 112.109 114.672 -2.563 26059 5524 1 8 . 1 1 79 79 SER HA H 79 5.560 5.560 5.594 -0.034 26059 5525 1 8 . 1 1 79 79 SER C C 79 172.490 172.490 173.510 -1.020 26059 5526 1 8 . 1 1 79 79 SER CA C 79 57.754 57.754 56.062 1.692 26059 5527 1 8 . 1 1 79 79 SER CB C 79 65.861 65.861 65.503 0.358 26059 5528 1 8 . 1 1 79 79 SER H H 79 7.714 7.714 8.396 -0.682 26059 5529 1 8 . 1 1 80 80 GLY N N 80 106.048 106.048 111.080 -5.032 26059 5530 1 8 . 1 1 80 80 GLY C C 80 172.630 172.630 172.105 0.525 26059 5531 1 8 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.318 0.382 26059 5532 1 8 . 1 1 80 80 GLY H H 80 8.828 8.828 8.876 -0.048 26059 5533 1 8 . 1 1 81 81 TYR N N 81 115.280 115.280 116.235 -0.955 26059 5534 1 8 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.384 0.296 26059 5535 1 8 . 1 1 81 81 TYR C C 81 174.100 174.100 174.176 -0.076 26059 5536 1 8 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.293 -1.793 26059 5537 1 8 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.761 0.239 26059 5538 1 8 . 1 1 81 81 TYR H H 81 8.770 8.770 8.013 0.757 26059 5539 1 8 . 1 1 82 82 ALA N N 82 122.350 122.350 122.870 -0.520 26059 5540 1 8 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.551 -0.111 26059 5541 1 8 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.310 -0.270 26059 5542 1 8 . 1 1 82 82 ALA CB C 82 22.400 22.400 21.142 1.258 26059 5543 1 8 . 1 1 82 82 ALA H H 82 7.160 7.160 7.071 0.089 26059 5544 1 8 . 1 1 83 83 GLY N N 83 107.100 107.100 108.313 -1.213 26059 5545 1 8 . 1 1 83 83 GLY C C 83 172.500 172.500 173.572 -1.072 26059 5546 1 8 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.442 0.168 26059 5547 1 8 . 1 1 83 83 GLY H H 83 8.220 8.220 8.276 -0.056 26059 5548 1 8 . 1 1 84 84 PHE N N 84 111.660 111.660 114.752 -3.092 26059 5549 1 8 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.562 0.128 26059 5550 1 8 . 1 1 84 84 PHE C C 84 172.460 172.460 173.540 -1.080 26059 5551 1 8 . 1 1 84 84 PHE CA C 84 56.500 56.500 56.290 0.210 26059 5552 1 8 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.772 -1.192 26059 5553 1 8 . 1 1 84 84 PHE H H 84 7.700 7.700 8.369 -0.669 26059 5554 1 8 . 1 1 85 85 ILE N N 85 117.810 117.810 121.714 -3.904 26059 5555 1 8 . 1 1 85 85 ILE HA H 85 4.310 4.310 3.883 0.427 26059 5556 1 8 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.614 -1.274 26059 5557 1 8 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.721 -1.461 26059 5558 1 8 . 1 1 85 85 ILE H H 85 8.340 8.340 8.391 -0.051 26059 5559 1 8 . 1 1 86 86 LEU N N 86 108.130 108.130 129.370 -21.240 26059 5560 1 8 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.903 0.077 26059 5561 1 8 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.828 2.372 26059 5562 1 8 . 1 1 86 86 LEU CB C 86 45.300 45.300 44.605 0.695 26059 5563 1 8 . 1 1 86 86 LEU H H 86 9.900 9.900 8.593 1.307 26059 5564 1 8 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.636 0.464 26059 5565 1 8 . 1 1 87 87 PRO C C 87 175.340 175.340 175.854 -0.514 26059 5566 1 8 . 1 1 87 87 PRO CA C 87 63.110 63.110 62.881 0.229 26059 5567 1 8 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.343 0.217 26059 5568 1 8 . 1 1 88 88 ILE N N 88 126.000 126.000 126.944 -0.944 26059 5569 1 8 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.492 0.298 26059 5570 1 8 . 1 1 88 88 ILE C C 88 176.100 176.100 175.082 1.018 26059 5571 1 8 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.364 0.196 26059 5572 1 8 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.540 2.460 26059 5573 1 8 . 1 1 88 88 ILE H H 88 9.380 9.380 8.440 0.940 26059 5574 1 8 . 1 1 89 89 GLU N N 89 123.900 123.900 127.386 -3.486 26059 5575 1 8 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.261 -0.061 26059 5576 1 8 . 1 1 89 89 GLU C C 89 173.800 173.800 175.504 -1.704 26059 5577 1 8 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.297 -0.327 26059 5578 1 8 . 1 1 89 89 GLU CB C 89 34.380 34.380 32.060 2.320 26059 5579 1 8 . 1 1 89 89 GLU H H 89 9.320 9.320 8.452 0.868 26059 5580 1 8 . 1 1 90 90 VAL N N 90 123.980 123.980 124.620 -0.640 26059 5581 1 8 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.867 0.293 26059 5582 1 8 . 1 1 90 90 VAL C C 90 174.800 174.800 174.547 0.253 26059 5583 1 8 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.808 -0.418 26059 5584 1 8 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.518 -0.028 26059 5585 1 8 . 1 1 90 90 VAL H H 90 8.630 8.630 8.006 0.624 26059 5586 1 8 . 1 1 91 91 TYR N N 91 124.230 124.230 126.322 -2.092 26059 5587 1 8 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.870 -0.210 26059 5588 1 8 . 1 1 91 91 TYR C C 91 176.800 176.800 175.787 1.013 26059 5589 1 8 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.274 -0.574 26059 5590 1 8 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.671 0.569 26059 5591 1 8 . 1 1 91 91 TYR H H 91 8.640 8.640 9.020 -0.380 26059 5592 1 8 . 1 1 92 92 PHE N N 92 121.200 121.200 121.386 -0.186 26059 5593 1 8 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.340 0.320 26059 5594 1 8 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.442 1.068 26059 5595 1 8 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.713 -0.713 26059 5596 1 8 . 1 1 92 92 PHE H H 92 8.750 8.750 9.166 -0.416 26059 5597 1 8 . 1 1 93 93 LYS N N 93 123.450 123.450 123.164 0.286 26059 5598 1 8 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.531 0.069 26059 5599 1 8 . 1 1 93 93 LYS C C 93 174.200 174.200 175.210 -1.010 26059 5600 1 8 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.966 -0.786 26059 5601 1 8 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.551 0.129 26059 5602 1 8 . 1 1 93 93 LYS H H 93 8.560 8.560 8.858 -0.298 26059 5603 1 8 . 1 1 94 94 ASN N N 94 118.800 118.800 122.799 -3.999 26059 5604 1 8 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.780 -0.340 26059 5605 1 8 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.331 -1.121 26059 5606 1 8 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.243 -1.443 26059 5607 1 8 . 1 1 94 94 ASN H H 94 7.820 7.820 8.121 -0.301 26059 5608 1 8 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.404 -0.074 26059 5609 1 8 . 1 1 95 95 LYS C C 95 175.800 175.800 175.154 0.646 26059 5610 1 8 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.598 -0.388 26059 5611 1 8 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.714 0.296 26059 5612 1 8 . 1 1 96 96 GLU N N 96 118.330 118.330 119.249 -0.919 26059 5613 1 8 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.326 0.184 26059 5614 1 8 . 1 1 96 96 GLU C C 96 173.200 173.200 175.583 -2.383 26059 5615 1 8 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.924 -0.824 26059 5616 1 8 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.432 1.038 26059 5617 1 8 . 1 1 96 96 GLU H H 96 7.120 7.120 7.524 -0.404 26059 5618 1 8 . 1 1 97 97 GLU N N 97 115.630 115.630 119.689 -4.059 26059 5619 1 8 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.212 0.218 26059 5620 1 8 . 1 1 97 97 GLU CA C 97 54.860 54.860 55.553 -0.693 26059 5621 1 8 . 1 1 97 97 GLU CB C 97 29.270 29.270 29.219 0.051 26059 5622 1 8 . 1 1 97 97 GLU H H 97 8.060 8.060 8.607 -0.547 26059 5623 1 8 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.280 0.720 26059 5624 1 8 . 1 1 98 98 PRO C C 98 175.900 175.900 176.759 -0.859 26059 5625 1 8 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.117 -1.957 26059 5626 1 8 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.825 2.175 26059 5627 1 8 . 1 1 99 99 ARG N N 99 122.800 122.800 120.204 2.596 26059 5628 1 8 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.476 0.154 26059 5629 1 8 . 1 1 99 99 ARG C C 99 175.800 175.800 175.546 0.254 26059 5630 1 8 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.787 0.413 26059 5631 1 8 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.388 0.022 26059 5632 1 8 . 1 1 99 99 ARG H H 99 8.602 8.602 8.649 -0.047 26059 5633 1 8 . 1 1 100 100 LYS N N 100 113.220 113.220 116.542 -3.322 26059 5634 1 8 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.928 0.012 26059 5635 1 8 . 1 1 100 100 LYS C C 100 174.100 174.100 174.704 -0.604 26059 5636 1 8 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.932 -0.541 26059 5637 1 8 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.656 -0.936 26059 5638 1 8 . 1 1 100 100 LYS H H 100 7.650 7.650 7.327 0.323 26059 5639 1 8 . 1 1 101 101 VAL N N 101 116.230 116.230 117.338 -1.108 26059 5640 1 8 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.419 -0.149 26059 5641 1 8 . 1 1 101 101 VAL C C 101 171.600 171.600 173.314 -1.714 26059 5642 1 8 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.265 0.995 26059 5643 1 8 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.622 -0.442 26059 5644 1 8 . 1 1 101 101 VAL H H 101 8.120 8.120 8.082 0.038 26059 5645 1 8 . 1 1 102 102 ARG N N 102 124.980 124.980 124.230 0.750 26059 5646 1 8 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.981 0.179 26059 5647 1 8 . 1 1 102 102 ARG C C 102 174.340 174.340 175.013 -0.673 26059 5648 1 8 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.811 -1.061 26059 5649 1 8 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.894 1.456 26059 5650 1 8 . 1 1 102 102 ARG H H 102 7.930 7.930 8.114 -0.184 26059 5651 1 8 . 1 1 103 103 PHE N N 103 124.590 124.590 126.583 -1.993 26059 5652 1 8 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.784 0.008 26059 5653 1 8 . 1 1 103 103 PHE C C 103 174.280 174.280 174.572 -0.292 26059 5654 1 8 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.724 0.756 26059 5655 1 8 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.240 2.010 26059 5656 1 8 . 1 1 103 103 PHE H H 103 9.390 9.390 9.137 0.253 26059 5657 1 8 . 1 1 104 104 ASP N N 104 124.700 124.700 124.069 0.631 26059 5658 1 8 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.583 0.216 26059 5659 1 8 . 1 1 104 104 ASP C C 104 174.500 174.500 174.805 -0.305 26059 5660 1 8 . 1 1 104 104 ASP CA C 104 54.390 54.390 54.109 0.281 26059 5661 1 8 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.618 -0.388 26059 5662 1 8 . 1 1 104 104 ASP H H 104 9.010 9.010 8.980 0.030 26059 5663 1 8 . 1 1 105 105 TYR N N 105 129.840 129.840 124.554 5.286 26059 5664 1 8 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.620 -0.550 26059 5665 1 8 . 1 1 105 105 TYR C C 105 173.100 173.100 173.253 -0.153 26059 5666 1 8 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.831 1.849 26059 5667 1 8 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.372 -0.522 26059 5668 1 8 . 1 1 105 105 TYR H H 105 8.140 8.140 8.119 0.021 26059 5669 1 8 . 1 1 106 106 ASP N N 106 126.800 126.800 128.398 -1.598 26059 5670 1 8 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.342 -0.122 26059 5671 1 8 . 1 1 106 106 ASP C C 106 172.900 172.900 174.223 -1.323 26059 5672 1 8 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.864 -0.354 26059 5673 1 8 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.588 -2.088 26059 5674 1 8 . 1 1 106 106 ASP H H 106 7.730 7.730 8.302 -0.572 26059 5675 1 8 . 1 1 107 107 LEU N N 107 132.150 132.150 127.939 4.211 26059 5676 1 8 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.361 -0.521 26059 5677 1 8 . 1 1 107 107 LEU C C 107 172.100 172.100 174.618 -2.518 26059 5678 1 8 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.910 -0.710 26059 5679 1 8 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.876 -1.636 26059 5680 1 8 . 1 1 107 107 LEU H H 107 7.770 7.770 7.660 0.110 26059 5681 1 8 . 1 1 108 108 PHE N N 108 118.960 118.960 121.235 -2.275 26059 5682 1 8 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.864 -0.174 26059 5683 1 8 . 1 1 108 108 PHE C C 108 174.300 174.300 173.496 0.804 26059 5684 1 8 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.180 -0.490 26059 5685 1 8 . 1 1 108 108 PHE CB C 108 40.290 40.290 41.138 -0.848 26059 5686 1 8 . 1 1 108 108 PHE H H 108 6.060 6.060 7.021 -0.961 26059 5687 1 8 . 1 1 109 109 LEU N N 109 118.900 118.900 120.056 -1.156 26059 5688 1 8 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.609 -0.209 26059 5689 1 8 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.404 -1.244 26059 5690 1 8 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.447 -2.367 26059 5691 1 8 . 1 1 109 109 LEU H H 109 8.388 8.388 8.186 0.202 26059 5692 1 8 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.374 0.066 26059 5693 1 8 . 1 1 111 111 LEU C C 111 177.300 177.300 176.940 0.360 26059 5694 1 8 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.241 -1.021 26059 5695 1 8 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.256 1.614 26059 5696 1 8 . 1 1 112 112 GLU N N 112 120.660 120.660 125.547 -4.887 26059 5697 1 8 . 1 1 112 112 GLU HA H 112 4.170 4.170 3.991 0.179 26059 5698 1 8 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.302 0.158 26059 5699 1 8 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.905 -0.715 26059 5700 1 8 . 1 1 112 112 GLU H H 112 8.780 8.780 8.876 -0.096 26059 5701 1 8 . 1 1 113 113 GLY C C 113 173.900 173.900 173.428 0.472 26059 5702 1 8 . 1 1 113 113 GLY CA C 113 44.950 44.950 45.007 -0.057 26059 5703 1 8 . 1 1 114 114 HIS N N 114 120.890 120.890 119.009 1.881 26059 5704 1 8 . 1 1 114 114 HIS HA H 114 4.906 4.906 5.028 -0.122 26059 5705 1 8 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.123 1.647 26059 5706 1 8 . 1 1 114 114 HIS CB C 114 30.590 30.590 29.976 0.614 26059 5707 1 8 . 1 1 114 114 HIS H H 114 7.934 7.934 7.518 0.416 26059 5708 1 8 . 1 1 115 115 PRO HA H 115 4.800 4.800 5.043 -0.243 26059 5709 1 8 . 1 1 115 115 PRO CA C 115 62.090 62.090 61.132 0.958 26059 5710 1 8 . 1 1 115 115 PRO CB C 115 30.680 30.680 32.203 -1.523 26059 5711 1 8 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.689 -0.479 26059 5712 1 8 . 1 1 116 116 PRO C C 116 176.600 176.600 175.831 0.769 26059 5713 1 8 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.494 -0.194 26059 5714 1 8 . 1 1 117 117 VAL N N 117 127.480 127.480 127.167 0.313 26059 5715 1 8 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.341 -0.551 26059 5716 1 8 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.645 1.056 26059 5717 1 8 . 1 1 117 117 VAL CB C 117 33.200 33.200 32.927 0.273 26059 5718 1 8 . 1 1 117 117 VAL H H 117 8.890 8.890 8.108 0.782 26059 5719 1 8 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.151 -0.161 26059 5720 1 8 . 1 1 118 118 ASN C C 118 172.700 172.700 173.677 -0.977 26059 5721 1 8 . 1 1 118 118 ASN CA C 118 53.360 53.360 52.951 0.409 26059 5722 1 8 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.573 -1.373 26059 5723 1 8 . 1 1 119 119 HIS N N 119 124.930 124.930 126.347 -1.417 26059 5724 1 8 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.062 -0.242 26059 5725 1 8 . 1 1 119 119 HIS C C 119 173.500 173.500 173.003 0.497 26059 5726 1 8 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.514 1.456 26059 5727 1 8 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.750 0.520 26059 5728 1 8 . 1 1 119 119 HIS H H 119 8.790 8.790 8.661 0.129 26059 5729 1 8 . 1 1 120 120 LEU N N 120 128.280 128.280 124.711 3.569 26059 5730 1 8 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.711 0.239 26059 5731 1 8 . 1 1 120 120 LEU C C 120 174.030 174.030 175.664 -1.634 26059 5732 1 8 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.631 0.369 26059 5733 1 8 . 1 1 120 120 LEU CB C 120 46.600 46.600 45.377 1.223 26059 5734 1 8 . 1 1 120 120 LEU H H 120 7.460 7.460 8.302 -0.842 26059 5735 1 8 . 1 1 121 121 ARG N N 121 128.060 128.060 122.342 5.718 26059 5736 1 8 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.659 -0.019 26059 5737 1 8 . 1 1 121 121 ARG C C 121 173.400 173.400 173.985 -0.585 26059 5738 1 8 . 1 1 121 121 ARG CA C 121 54.360 54.360 55.096 -0.736 26059 5739 1 8 . 1 1 121 121 ARG CB C 121 34.260 34.260 34.563 -0.303 26059 5740 1 8 . 1 1 121 121 ARG H H 121 9.860 9.860 8.707 1.153 26059 5741 1 8 . 1 1 122 122 CYS N N 122 125.290 125.290 123.139 2.151 26059 5742 1 8 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.504 -0.484 26059 5743 1 8 . 1 1 122 122 CYS C C 122 174.600 174.600 174.147 0.453 26059 5744 1 8 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.241 1.049 26059 5745 1 8 . 1 1 122 122 CYS CB C 122 28.030 28.030 30.175 -2.145 26059 5746 1 8 . 1 1 122 122 CYS H H 122 8.835 8.835 8.680 0.155 26059 5747 1 8 . 1 1 123 123 GLU N N 123 125.920 125.920 123.825 2.095 26059 5748 1 8 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.629 0.051 26059 5749 1 8 . 1 1 123 123 GLU C C 123 174.500 174.500 174.464 0.036 26059 5750 1 8 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.469 -0.049 26059 5751 1 8 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.573 0.010 26059 5752 1 8 . 1 1 123 123 GLU H H 123 8.970 8.970 9.033 -0.063 26059 5753 1 8 . 1 1 124 124 LYS N N 124 121.837 121.837 123.401 -1.564 26059 5754 1 8 . 1 1 124 124 LYS HA H 124 4.960 4.960 5.090 -0.130 26059 5755 1 8 . 1 1 124 124 LYS C C 124 175.700 175.700 175.840 -0.140 26059 5756 1 8 . 1 1 124 124 LYS CA C 124 55.357 55.357 54.837 0.520 26059 5757 1 8 . 1 1 124 124 LYS CB C 124 34.189 34.189 34.437 -0.248 26059 5758 1 8 . 1 1 124 124 LYS H H 124 8.652 8.652 8.442 0.210 26059 5759 1 8 . 1 1 125 125 LEU N N 125 127.000 127.000 128.619 -1.619 26059 5760 1 8 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.578 0.072 26059 5761 1 8 . 1 1 125 125 LEU C C 125 175.110 175.110 175.309 -0.199 26059 5762 1 8 . 1 1 125 125 LEU CA C 125 53.854 53.854 53.873 -0.019 26059 5763 1 8 . 1 1 125 125 LEU CB C 125 44.267 44.267 43.566 0.700 26059 5764 1 8 . 1 1 125 125 LEU H H 125 9.175 9.175 9.064 0.111 26059 5765 1 8 . 1 1 126 126 THR N N 126 117.779 117.779 119.854 -2.075 26059 5766 1 8 . 1 1 126 126 THR HA H 126 4.650 4.650 4.596 0.054 26059 5767 1 8 . 1 1 126 126 THR C C 126 173.200 173.200 173.462 -0.262 26059 5768 1 8 . 1 1 126 126 THR CA C 126 62.036 62.036 61.790 0.246 26059 5769 1 8 . 1 1 126 126 THR CB C 126 70.284 70.284 69.796 0.488 26059 5770 1 8 . 1 1 126 126 THR H H 126 8.331 8.331 8.353 -0.022 26059 5771 1 8 . 1 1 127 127 PHE N N 127 126.576 126.576 127.208 -0.632 26059 5772 1 8 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.960 -0.370 26059 5773 1 8 . 1 1 127 127 PHE C C 127 174.860 174.860 174.310 0.550 26059 5774 1 8 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.170 1.694 26059 5775 1 8 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.390 -1.390 26059 5776 1 8 . 1 1 127 127 PHE H H 127 9.051 9.051 8.891 0.160 26059 5777 1 8 . 1 1 128 128 ASN N N 128 123.040 123.040 121.506 1.534 26059 5778 1 8 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.749 -0.129 26059 5779 1 8 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.117 1.363 26059 5780 1 8 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.822 0.638 26059 5781 1 8 . 1 1 128 128 ASN H H 128 8.880 8.880 8.837 0.043 26059 5782 1 8 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.596 0.164 26059 5783 1 8 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.669 -0.769 26059 5784 1 8 . 1 1 129 129 ASN CB C 129 38.730 38.730 37.438 1.292 26059 5785 1 8 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.560 0.230 26059 5786 1 8 . 1 1 130 130 PRO C C 130 177.470 177.470 176.665 0.805 26059 5787 1 8 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.628 -0.054 26059 5788 1 8 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.443 -0.133 26059 5789 1 8 . 1 1 131 131 THR N N 131 113.400 113.400 110.188 3.212 26059 5790 1 8 . 1 1 131 131 THR HA H 131 4.300 4.300 4.291 0.009 26059 5791 1 8 . 1 1 131 131 THR C C 131 175.200 175.200 176.046 -0.846 26059 5792 1 8 . 1 1 131 131 THR CA C 131 62.200 62.200 61.322 0.878 26059 5793 1 8 . 1 1 131 131 THR CB C 131 70.600 70.600 69.741 0.859 26059 5794 1 8 . 1 1 131 131 THR H H 131 8.950 8.950 8.165 0.785 26059 5795 1 8 . 1 1 132 132 GLU N N 132 122.199 122.199 125.070 -2.871 26059 5796 1 8 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.846 0.164 26059 5797 1 8 . 1 1 132 132 GLU C C 132 178.700 178.700 177.985 0.715 26059 5798 1 8 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.662 -0.368 26059 5799 1 8 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.578 -0.417 26059 5800 1 8 . 1 1 132 132 GLU H H 132 8.932 8.932 9.021 -0.089 26059 5801 1 8 . 1 1 133 133 ASP N N 133 116.324 116.324 117.614 -1.290 26059 5802 1 8 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.396 -0.066 26059 5803 1 8 . 1 1 133 133 ASP C C 133 177.800 177.800 178.302 -0.502 26059 5804 1 8 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.717 0.644 26059 5805 1 8 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.819 2.004 26059 5806 1 8 . 1 1 133 133 ASP H H 133 8.490 8.490 8.790 -0.300 26059 5807 1 8 . 1 1 134 134 PHE N N 134 119.914 119.914 122.329 -2.415 26059 5808 1 8 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.213 0.397 26059 5809 1 8 . 1 1 134 134 PHE C C 134 177.300 177.300 177.057 0.243 26059 5810 1 8 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.135 -0.597 26059 5811 1 8 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.371 -0.171 26059 5812 1 8 . 1 1 134 134 PHE H H 134 7.787 7.787 7.937 -0.150 26059 5813 1 8 . 1 1 135 135 ARG N N 135 119.794 119.794 120.611 -0.817 26059 5814 1 8 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.755 -0.405 26059 5815 1 8 . 1 1 135 135 ARG C C 135 177.370 177.370 178.053 -0.683 26059 5816 1 8 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.071 0.305 26059 5817 1 8 . 1 1 135 135 ARG CB C 135 30.396 30.396 29.997 0.399 26059 5818 1 8 . 1 1 135 135 ARG H H 135 9.087 9.087 8.173 0.914 26059 5819 1 8 . 1 1 136 136 ARG N N 136 114.554 114.554 118.434 -3.880 26059 5820 1 8 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.983 -0.163 26059 5821 1 8 . 1 1 136 136 ARG C C 136 178.950 178.950 178.537 0.413 26059 5822 1 8 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.899 -0.599 26059 5823 1 8 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.002 0.215 26059 5824 1 8 . 1 1 136 136 ARG H H 136 7.747 7.747 8.265 -0.518 26059 5825 1 8 . 1 1 137 137 LYS N N 137 118.298 118.298 118.551 -0.253 26059 5826 1 8 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.016 -0.116 26059 5827 1 8 . 1 1 137 137 LYS C C 137 177.980 177.980 178.642 -0.662 26059 5828 1 8 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.276 1.119 26059 5829 1 8 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.211 0.236 26059 5830 1 8 . 1 1 137 137 LYS H H 137 7.154 7.154 7.212 -0.058 26059 5831 1 8 . 1 1 138 138 LEU N N 138 117.159 117.159 119.201 -2.042 26059 5832 1 8 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.845 -0.425 26059 5833 1 8 . 1 1 138 138 LEU C C 138 179.100 179.100 178.646 0.454 26059 5834 1 8 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.248 -0.017 26059 5835 1 8 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.623 0.705 26059 5836 1 8 . 1 1 138 138 LEU H H 138 7.709 7.709 7.785 -0.076 26059 5837 1 8 . 1 1 139 139 LEU N N 139 115.158 115.158 115.515 -0.357 26059 5838 1 8 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.121 0.029 26059 5839 1 8 . 1 1 139 139 LEU C C 139 177.600 177.600 178.303 -0.703 26059 5840 1 8 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.489 -0.960 26059 5841 1 8 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.883 -0.139 26059 5842 1 8 . 1 1 139 139 LEU H H 139 7.507 7.507 8.163 -0.656 26059 5843 1 8 . 1 1 140 140 LYS N N 140 120.256 120.256 118.419 1.837 26059 5844 1 8 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.096 0.014 26059 5845 1 8 . 1 1 140 140 LYS C C 140 175.800 175.800 177.136 -1.336 26059 5846 1 8 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.146 -0.094 26059 5847 1 8 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.901 -0.255 26059 5848 1 8 . 1 1 140 140 LYS H H 140 7.304 7.304 7.446 -0.142 26059 5849 1 9 . 1 1 4 4 MET C C 4 175.800 175.800 175.987 -0.187 26059 5850 1 9 . 1 1 4 4 MET CA C 4 55.350 55.350 55.692 -0.342 26059 5851 1 9 . 1 1 4 4 MET CB C 4 32.880 32.880 31.073 1.807 26059 5852 1 9 . 1 1 5 5 ALA N N 5 125.230 125.230 127.978 -2.748 26059 5853 1 9 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.738 -0.388 26059 5854 1 9 . 1 1 5 5 ALA CA C 5 52.430 52.430 51.306 1.124 26059 5855 1 9 . 1 1 5 5 ALA CB C 5 19.370 19.370 19.357 0.013 26059 5856 1 9 . 1 1 5 5 ALA H H 5 8.320 8.320 7.961 0.359 26059 5857 1 9 . 1 1 6 6 SER HA H 6 4.490 4.490 4.333 0.157 26059 5858 1 9 . 1 1 6 6 SER CA C 6 58.200 58.200 57.943 0.257 26059 5859 1 9 . 1 1 6 6 SER CB C 6 63.700 63.700 63.513 0.187 26059 5860 1 9 . 1 1 7 7 SER HA H 7 4.530 4.530 5.362 -0.832 26059 5861 1 9 . 1 1 7 7 SER CA C 7 58.200 58.200 58.106 0.094 26059 5862 1 9 . 1 1 7 7 SER CB C 7 63.700 63.700 63.353 0.346 26059 5863 1 9 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.592 0.018 26059 5864 1 9 . 1 1 8 8 CYS C C 8 173.500 173.500 173.206 0.294 26059 5865 1 9 . 1 1 8 8 CYS CA C 8 58.340 58.340 58.135 0.205 26059 5866 1 9 . 1 1 8 8 CYS CB C 8 28.490 28.490 30.905 -2.415 26059 5867 1 9 . 1 1 9 9 ALA N N 9 124.700 124.700 128.217 -3.517 26059 5868 1 9 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.136 -0.346 26059 5869 1 9 . 1 1 9 9 ALA C C 9 177.400 177.400 176.539 0.861 26059 5870 1 9 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.986 1.084 26059 5871 1 9 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.056 0.573 26059 5872 1 9 . 1 1 9 9 ALA H H 9 7.960 7.960 8.468 -0.508 26059 5873 1 9 . 1 1 10 10 VAL N N 10 120.124 120.124 123.956 -3.832 26059 5874 1 9 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.259 0.031 26059 5875 1 9 . 1 1 10 10 VAL C C 10 173.900 173.900 175.007 -1.107 26059 5876 1 9 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.189 0.361 26059 5877 1 9 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.340 1.560 26059 5878 1 9 . 1 1 10 10 VAL H H 10 8.424 8.424 8.431 -0.007 26059 5879 1 9 . 1 1 11 11 GLN N N 11 125.818 125.818 123.932 1.886 26059 5880 1 9 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.342 0.218 26059 5881 1 9 . 1 1 11 11 GLN C C 11 175.400 175.400 175.363 0.037 26059 5882 1 9 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.336 -0.213 26059 5883 1 9 . 1 1 11 11 GLN CB C 11 32.029 32.029 31.363 0.666 26059 5884 1 9 . 1 1 11 11 GLN H H 11 8.636 8.636 8.369 0.267 26059 5885 1 9 . 1 1 12 12 VAL N N 12 119.106 119.106 117.098 2.008 26059 5886 1 9 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.359 0.271 26059 5887 1 9 . 1 1 12 12 VAL C C 12 173.800 173.800 174.467 -0.667 26059 5888 1 9 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.443 0.357 26059 5889 1 9 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.843 1.868 26059 5890 1 9 . 1 1 12 12 VAL H H 12 8.827 8.827 8.565 0.262 26059 5891 1 9 . 1 1 13 13 LYS N N 13 121.700 121.700 122.489 -0.789 26059 5892 1 9 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.216 -0.016 26059 5893 1 9 . 1 1 13 13 LYS C C 13 175.030 175.030 174.998 0.032 26059 5894 1 9 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.383 0.048 26059 5895 1 9 . 1 1 13 13 LYS CB C 13 35.920 35.920 34.880 1.040 26059 5896 1 9 . 1 1 13 13 LYS H H 13 8.234 8.234 8.399 -0.165 26059 5897 1 9 . 1 1 14 14 LEU N N 14 119.100 119.100 125.434 -6.334 26059 5898 1 9 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.330 -0.380 26059 5899 1 9 . 1 1 14 14 LEU C C 14 175.110 175.110 175.361 -0.251 26059 5900 1 9 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.434 -0.077 26059 5901 1 9 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.329 1.592 26059 5902 1 9 . 1 1 14 14 LEU H H 14 8.840 8.840 9.076 -0.236 26059 5903 1 9 . 1 1 15 15 GLU N N 15 120.978 120.978 123.444 -2.466 26059 5904 1 9 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.371 -0.381 26059 5905 1 9 . 1 1 15 15 GLU C C 15 173.800 173.800 175.282 -1.482 26059 5906 1 9 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.012 1.416 26059 5907 1 9 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.470 -0.644 26059 5908 1 9 . 1 1 15 15 GLU H H 15 9.181 9.181 9.115 0.066 26059 5909 1 9 . 1 1 16 16 LEU N N 16 124.438 124.438 128.078 -3.640 26059 5910 1 9 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.164 -0.054 26059 5911 1 9 . 1 1 16 16 LEU C C 16 174.700 174.700 176.166 -1.466 26059 5912 1 9 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.711 0.365 26059 5913 1 9 . 1 1 16 16 LEU CB C 16 44.892 44.892 40.291 4.601 26059 5914 1 9 . 1 1 16 16 LEU H H 16 8.891 8.891 8.850 0.041 26059 5915 1 9 . 1 1 17 17 GLY N N 17 108.067 108.067 111.034 -2.967 26059 5916 1 9 . 1 1 17 17 GLY C C 17 170.350 170.350 171.528 -1.178 26059 5917 1 9 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.316 2.668 26059 5918 1 9 . 1 1 17 17 GLY H H 17 7.227 7.227 9.009 -1.782 26059 5919 1 9 . 1 1 18 18 HIS N N 18 111.200 111.200 116.469 -5.269 26059 5920 1 9 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.154 0.466 26059 5921 1 9 . 1 1 18 18 HIS C C 18 172.400 172.400 172.635 -0.235 26059 5922 1 9 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.829 0.111 26059 5923 1 9 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.457 1.703 26059 5924 1 9 . 1 1 18 18 HIS H H 18 8.150 8.150 8.511 -0.361 26059 5925 1 9 . 1 1 19 19 ARG N N 19 117.800 117.800 120.637 -2.837 26059 5926 1 9 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.391 -0.291 26059 5927 1 9 . 1 1 19 19 ARG C C 19 175.800 175.800 174.686 1.114 26059 5928 1 9 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.017 -0.517 26059 5929 1 9 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.469 0.181 26059 5930 1 9 . 1 1 19 19 ARG H H 19 9.010 9.010 8.709 0.301 26059 5931 1 9 . 1 1 20 20 ALA N N 20 120.390 120.390 123.524 -3.134 26059 5932 1 9 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.308 0.232 26059 5933 1 9 . 1 1 20 20 ALA C C 20 175.800 175.800 175.168 0.632 26059 5934 1 9 . 1 1 20 20 ALA CA C 20 51.590 51.590 51.184 0.406 26059 5935 1 9 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.583 1.167 26059 5936 1 9 . 1 1 20 20 ALA H H 20 8.070 8.070 8.742 -0.672 26059 5937 1 9 . 1 1 21 21 GLN N N 21 121.790 121.790 123.127 -1.337 26059 5938 1 9 . 1 1 21 21 GLN HA H 21 5.230 5.230 4.883 0.347 26059 5939 1 9 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.948 0.382 26059 5940 1 9 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.400 0.500 26059 5941 1 9 . 1 1 21 21 GLN H H 21 9.240 9.240 8.893 0.347 26059 5942 1 9 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.471 -0.841 26059 5943 1 9 . 1 1 22 22 VAL C C 22 176.500 176.500 175.341 1.159 26059 5944 1 9 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.252 2.777 26059 5945 1 9 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.044 -2.444 26059 5946 1 9 . 1 1 23 23 ARG N N 23 127.840 127.840 125.891 1.949 26059 5947 1 9 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.631 -0.501 26059 5948 1 9 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.993 1.207 26059 5949 1 9 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.131 1.019 26059 5950 1 9 . 1 1 23 23 ARG H H 23 8.720 8.720 8.778 -0.058 26059 5951 1 9 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.147 -0.107 26059 5952 1 9 . 1 1 24 24 LYS C C 24 176.960 176.960 176.302 0.658 26059 5953 1 9 . 1 1 24 24 LYS CA C 24 58.800 58.800 58.011 0.788 26059 5954 1 9 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.718 -0.658 26059 5955 1 9 . 1 1 25 25 LYS N N 25 115.870 115.870 119.140 -3.270 26059 5956 1 9 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.723 0.107 26059 5957 1 9 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.439 -0.479 26059 5958 1 9 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.688 1.392 26059 5959 1 9 . 1 1 25 25 LYS H H 25 7.720 7.720 7.645 0.075 26059 5960 1 9 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.516 0.314 26059 5961 1 9 . 1 1 26 26 PRO C C 26 177.400 177.400 176.934 0.466 26059 5962 1 9 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.114 -0.464 26059 5963 1 9 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.264 0.126 26059 5964 1 9 . 1 1 27 27 THR N N 27 111.270 111.270 114.763 -3.493 26059 5965 1 9 . 1 1 27 27 THR HA H 27 4.530 4.530 4.246 0.284 26059 5966 1 9 . 1 1 27 27 THR C C 27 177.300 177.300 177.048 0.252 26059 5967 1 9 . 1 1 27 27 THR CA C 27 61.300 61.300 61.547 -0.247 26059 5968 1 9 . 1 1 27 27 THR CB C 27 71.460 71.460 69.942 1.518 26059 5969 1 9 . 1 1 27 27 THR H H 27 8.380 8.380 8.264 0.116 26059 5970 1 9 . 1 1 28 28 VAL N N 28 121.170 121.170 118.901 2.269 26059 5971 1 9 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.949 -0.066 26059 5972 1 9 . 1 1 28 28 VAL C C 28 177.030 177.030 176.089 0.941 26059 5973 1 9 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.690 0.510 26059 5974 1 9 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.604 -0.204 26059 5975 1 9 . 1 1 28 28 VAL H H 28 8.910 8.910 8.488 0.422 26059 5976 1 9 . 1 1 29 29 GLU N N 29 116.800 116.800 120.484 -3.684 26059 5977 1 9 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.064 -0.144 26059 5978 1 9 . 1 1 29 29 GLU C C 29 176.200 176.200 176.559 -0.359 26059 5979 1 9 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.508 1.742 26059 5980 1 9 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.326 -0.156 26059 5981 1 9 . 1 1 29 29 GLU H H 29 7.990 7.990 7.969 0.021 26059 5982 1 9 . 1 1 30 30 GLY N N 30 105.500 105.500 107.764 -2.264 26059 5983 1 9 . 1 1 30 30 GLY C C 30 174.900 174.900 173.858 1.042 26059 5984 1 9 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.377 -0.917 26059 5985 1 9 . 1 1 30 30 GLY H H 30 7.950 7.950 7.631 0.319 26059 5986 1 9 . 1 1 31 31 PHE N N 31 119.300 119.300 118.703 0.597 26059 5987 1 9 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.889 -0.129 26059 5988 1 9 . 1 1 31 31 PHE C C 31 176.400 176.400 176.209 0.191 26059 5989 1 9 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.622 1.278 26059 5990 1 9 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.766 -4.266 26059 5991 1 9 . 1 1 31 31 PHE H H 31 7.520 7.520 7.464 0.056 26059 5992 1 9 . 1 1 32 32 THR N N 32 112.300 112.300 116.423 -4.123 26059 5993 1 9 . 1 1 32 32 THR HA H 32 4.330 4.330 4.367 -0.037 26059 5994 1 9 . 1 1 32 32 THR C C 32 175.200 175.200 174.413 0.787 26059 5995 1 9 . 1 1 32 32 THR CA C 32 62.780 62.780 63.306 -0.526 26059 5996 1 9 . 1 1 32 32 THR CB C 32 70.350 70.350 69.665 0.685 26059 5997 1 9 . 1 1 32 32 THR H H 32 7.770 7.770 8.904 -1.134 26059 5998 1 9 . 1 1 33 33 HIS N N 33 121.900 121.900 120.847 1.053 26059 5999 1 9 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.487 0.013 26059 6000 1 9 . 1 1 33 33 HIS C C 33 173.880 173.880 173.507 0.373 26059 6001 1 9 . 1 1 33 33 HIS CA C 33 56.780 56.780 56.068 0.712 26059 6002 1 9 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.452 2.188 26059 6003 1 9 . 1 1 33 33 HIS H H 33 9.110 9.110 8.766 0.344 26059 6004 1 9 . 1 1 34 34 ASP N N 34 120.300 120.300 122.794 -2.494 26059 6005 1 9 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.551 -0.151 26059 6006 1 9 . 1 1 34 34 ASP C C 34 175.100 175.100 175.039 0.061 26059 6007 1 9 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.586 -0.276 26059 6008 1 9 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.506 -0.506 26059 6009 1 9 . 1 1 34 34 ASP H H 34 8.810 8.810 9.129 -0.319 26059 6010 1 9 . 1 1 35 35 TRP N N 35 119.800 119.800 122.460 -2.660 26059 6011 1 9 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.606 0.124 26059 6012 1 9 . 1 1 35 35 TRP C C 35 174.900 174.900 173.567 1.333 26059 6013 1 9 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.342 0.558 26059 6014 1 9 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.763 1.907 26059 6015 1 9 . 1 1 35 35 TRP H H 35 9.250 9.250 8.891 0.359 26059 6016 1 9 . 1 1 36 36 MET N N 36 120.980 120.980 123.735 -2.755 26059 6017 1 9 . 1 1 36 36 MET HA H 36 5.750 5.750 5.854 -0.104 26059 6018 1 9 . 1 1 36 36 MET C C 36 173.700 173.700 174.800 -1.100 26059 6019 1 9 . 1 1 36 36 MET CA C 36 54.830 54.830 53.842 0.988 26059 6020 1 9 . 1 1 36 36 MET CB C 36 35.220 35.220 35.795 -0.576 26059 6021 1 9 . 1 1 36 36 MET H H 36 9.080 9.080 9.076 0.004 26059 6022 1 9 . 1 1 37 37 VAL N N 37 126.220 126.220 122.552 3.668 26059 6023 1 9 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.176 0.134 26059 6024 1 9 . 1 1 37 37 VAL C C 37 172.300 172.300 174.558 -2.258 26059 6025 1 9 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.813 -1.273 26059 6026 1 9 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.102 1.968 26059 6027 1 9 . 1 1 37 37 VAL H H 37 9.080 9.080 9.033 0.047 26059 6028 1 9 . 1 1 38 38 PHE N N 38 120.640 120.640 118.705 1.935 26059 6029 1 9 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.005 -0.035 26059 6030 1 9 . 1 1 38 38 PHE C C 38 172.960 172.960 173.488 -0.528 26059 6031 1 9 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.518 0.612 26059 6032 1 9 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.553 0.447 26059 6033 1 9 . 1 1 38 38 PHE H H 38 8.320 8.320 8.936 -0.616 26059 6034 1 9 . 1 1 39 39 VAL N N 39 116.500 116.500 117.522 -1.022 26059 6035 1 9 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.811 -0.801 26059 6036 1 9 . 1 1 39 39 VAL C C 39 174.700 174.700 174.869 -0.169 26059 6037 1 9 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.173 1.467 26059 6038 1 9 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.132 0.268 26059 6039 1 9 . 1 1 39 39 VAL H H 39 8.580 8.580 9.014 -0.434 26059 6040 1 9 . 1 1 40 40 ARG N N 40 124.100 124.100 124.137 -0.037 26059 6041 1 9 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.179 -0.099 26059 6042 1 9 . 1 1 40 40 ARG C C 40 173.800 173.800 175.551 -1.751 26059 6043 1 9 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.668 0.632 26059 6044 1 9 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.590 -1.010 26059 6045 1 9 . 1 1 40 40 ARG H H 40 9.880 9.880 9.055 0.825 26059 6046 1 9 . 1 1 41 41 GLY N N 41 107.640 107.640 107.935 -0.295 26059 6047 1 9 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.908 1.062 26059 6048 1 9 . 1 1 41 41 GLY H H 41 8.910 8.910 7.997 0.913 26059 6049 1 9 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.361 0.129 26059 6050 1 9 . 1 1 42 42 PRO C C 42 177.300 177.300 175.935 1.365 26059 6051 1 9 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.660 -1.220 26059 6052 1 9 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.210 0.900 26059 6053 1 9 . 1 1 43 43 GLU N N 43 121.050 121.050 120.971 0.079 26059 6054 1 9 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.902 -0.112 26059 6055 1 9 . 1 1 43 43 GLU C C 43 176.110 176.110 175.312 0.798 26059 6056 1 9 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.586 0.264 26059 6057 1 9 . 1 1 43 43 GLU CB C 43 27.850 27.850 26.890 0.960 26059 6058 1 9 . 1 1 43 43 GLU H H 43 9.060 9.060 8.967 0.093 26059 6059 1 9 . 1 1 44 44 HIS N N 44 114.100 114.100 110.015 4.085 26059 6060 1 9 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.022 0.329 26059 6061 1 9 . 1 1 44 44 HIS C C 44 175.170 175.170 174.028 1.142 26059 6062 1 9 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.426 0.224 26059 6063 1 9 . 1 1 44 44 HIS CB C 44 28.370 28.370 28.205 0.165 26059 6064 1 9 . 1 1 44 44 HIS H H 44 8.420 8.420 8.056 0.364 26059 6065 1 9 . 1 1 45 45 SER N N 45 115.540 115.540 115.283 0.257 26059 6066 1 9 . 1 1 45 45 SER HA H 45 4.560 4.560 4.372 0.188 26059 6067 1 9 . 1 1 45 45 SER C C 45 173.700 173.700 174.252 -0.552 26059 6068 1 9 . 1 1 45 45 SER CA C 45 58.710 58.710 59.466 -0.756 26059 6069 1 9 . 1 1 45 45 SER CB C 45 64.500 64.500 63.987 0.513 26059 6070 1 9 . 1 1 45 45 SER H H 45 7.870 7.870 7.498 0.372 26059 6071 1 9 . 1 1 46 46 ASN N N 46 123.900 123.900 122.844 1.056 26059 6072 1 9 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.674 0.446 26059 6073 1 9 . 1 1 46 46 ASN C C 46 176.300 176.300 175.690 0.610 26059 6074 1 9 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.470 -0.780 26059 6075 1 9 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.199 -0.469 26059 6076 1 9 . 1 1 46 46 ASN H H 46 9.480 9.480 8.773 0.707 26059 6077 1 9 . 1 1 47 47 ILE N N 47 115.240 115.240 120.014 -4.774 26059 6078 1 9 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.103 -0.163 26059 6079 1 9 . 1 1 47 47 ILE C C 47 176.000 176.000 176.675 -0.675 26059 6080 1 9 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.366 1.834 26059 6081 1 9 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.205 -0.505 26059 6082 1 9 . 1 1 47 47 ILE H H 47 8.170 8.170 8.402 -0.232 26059 6083 1 9 . 1 1 48 48 GLN N N 48 123.200 123.200 120.591 2.609 26059 6084 1 9 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.263 0.017 26059 6085 1 9 . 1 1 48 48 GLN C C 48 175.670 175.670 177.225 -1.555 26059 6086 1 9 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.008 -0.108 26059 6087 1 9 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.828 -0.838 26059 6088 1 9 . 1 1 48 48 GLN H H 48 8.850 8.850 8.369 0.481 26059 6089 1 9 . 1 1 49 49 HIS N N 49 115.400 115.400 117.808 -2.408 26059 6090 1 9 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.412 0.158 26059 6091 1 9 . 1 1 49 49 HIS C C 49 176.380 176.380 176.765 -0.385 26059 6092 1 9 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.001 -0.251 26059 6093 1 9 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.388 1.232 26059 6094 1 9 . 1 1 49 49 HIS H H 49 7.400 7.400 8.000 -0.600 26059 6095 1 9 . 1 1 50 50 PHE N N 50 109.800 109.800 112.447 -2.647 26059 6096 1 9 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.847 0.383 26059 6097 1 9 . 1 1 50 50 PHE C C 50 173.800 173.800 174.607 -0.807 26059 6098 1 9 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.296 -0.636 26059 6099 1 9 . 1 1 50 50 PHE CB C 50 41.000 41.000 40.268 0.732 26059 6100 1 9 . 1 1 50 50 PHE H H 50 7.570 7.570 7.618 -0.048 26059 6101 1 9 . 1 1 51 51 VAL N N 51 127.810 127.810 121.316 6.494 26059 6102 1 9 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.599 -0.229 26059 6103 1 9 . 1 1 51 51 VAL C C 51 174.500 174.500 175.548 -1.048 26059 6104 1 9 . 1 1 51 51 VAL CA C 51 63.000 63.000 63.057 -0.057 26059 6105 1 9 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.599 0.681 26059 6106 1 9 . 1 1 51 51 VAL H H 51 7.810 7.810 8.133 -0.323 26059 6107 1 9 . 1 1 52 52 GLU N N 52 130.700 130.700 129.312 1.388 26059 6108 1 9 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.496 -0.516 26059 6109 1 9 . 1 1 52 52 GLU C C 52 175.400 175.400 175.455 -0.055 26059 6110 1 9 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.286 0.714 26059 6111 1 9 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.817 -0.237 26059 6112 1 9 . 1 1 52 52 GLU H H 52 9.380 9.380 9.267 0.113 26059 6113 1 9 . 1 1 53 53 LYS N N 53 109.200 109.200 118.018 -8.818 26059 6114 1 9 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.763 0.037 26059 6115 1 9 . 1 1 53 53 LYS C C 53 172.300 172.300 174.278 -1.978 26059 6116 1 9 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.715 0.125 26059 6117 1 9 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.753 -1.503 26059 6118 1 9 . 1 1 53 53 LYS H H 53 7.190 7.190 7.524 -0.334 26059 6119 1 9 . 1 1 54 54 VAL N N 54 120.380 120.380 121.647 -1.267 26059 6120 1 9 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.761 0.009 26059 6121 1 9 . 1 1 54 54 VAL C C 54 173.600 173.600 173.918 -0.318 26059 6122 1 9 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.211 0.829 26059 6123 1 9 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.574 -0.874 26059 6124 1 9 . 1 1 54 54 VAL H H 54 8.450 8.450 8.388 0.062 26059 6125 1 9 . 1 1 55 55 VAL N N 55 126.920 126.920 121.494 5.426 26059 6126 1 9 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.307 -0.607 26059 6127 1 9 . 1 1 55 55 VAL C C 55 173.800 173.800 173.466 0.334 26059 6128 1 9 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.476 1.394 26059 6129 1 9 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.948 -1.848 26059 6130 1 9 . 1 1 55 55 VAL H H 55 9.260 9.260 8.562 0.698 26059 6131 1 9 . 1 1 56 56 PHE N N 56 126.130 126.130 127.009 -0.879 26059 6132 1 9 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.853 -0.131 26059 6133 1 9 . 1 1 56 56 PHE C C 56 174.000 174.000 174.868 -0.868 26059 6134 1 9 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.078 0.502 26059 6135 1 9 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.547 0.343 26059 6136 1 9 . 1 1 56 56 PHE H H 56 9.290 9.290 9.245 0.045 26059 6137 1 9 . 1 1 57 57 HIS N N 57 124.180 124.180 125.367 -1.187 26059 6138 1 9 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.955 -0.155 26059 6139 1 9 . 1 1 57 57 HIS C C 57 174.700 174.700 175.111 -0.411 26059 6140 1 9 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.790 -1.470 26059 6141 1 9 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.091 2.009 26059 6142 1 9 . 1 1 57 57 HIS H H 57 8.690 8.690 8.251 0.439 26059 6143 1 9 . 1 1 58 58 LEU N N 58 122.050 122.050 123.978 -1.928 26059 6144 1 9 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.520 -0.210 26059 6145 1 9 . 1 1 58 58 LEU C C 58 174.400 174.400 177.034 -2.634 26059 6146 1 9 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.267 1.143 26059 6147 1 9 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.852 -1.692 26059 6148 1 9 . 1 1 58 58 LEU H H 58 9.050 9.050 8.827 0.223 26059 6149 1 9 . 1 1 59 59 HIS N N 59 118.510 118.510 118.366 0.144 26059 6150 1 9 . 1 1 59 59 HIS C C 59 175.300 175.300 176.889 -1.589 26059 6151 1 9 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.469 3.641 26059 6152 1 9 . 1 1 59 59 HIS CB C 59 30.930 30.930 30.989 -0.059 26059 6153 1 9 . 1 1 59 59 HIS H H 59 5.160 5.160 7.905 -2.745 26059 6154 1 9 . 1 1 60 60 GLU N N 60 122.190 122.190 124.132 -1.942 26059 6155 1 9 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.167 -0.207 26059 6156 1 9 . 1 1 60 60 GLU C C 60 175.130 175.130 177.552 -2.422 26059 6157 1 9 . 1 1 60 60 GLU CA C 60 59.010 59.010 58.875 0.135 26059 6158 1 9 . 1 1 60 60 GLU CB C 60 28.820 28.820 29.133 -0.313 26059 6159 1 9 . 1 1 60 60 GLU H H 60 7.960 7.960 8.711 -0.751 26059 6160 1 9 . 1 1 61 61 SER N N 61 116.940 116.940 112.286 4.654 26059 6161 1 9 . 1 1 61 61 SER HA H 61 4.200 4.200 4.448 -0.248 26059 6162 1 9 . 1 1 61 61 SER CA C 61 60.010 60.010 58.628 1.382 26059 6163 1 9 . 1 1 61 61 SER CB C 61 63.140 63.140 63.733 -0.593 26059 6164 1 9 . 1 1 61 61 SER H H 61 8.540 8.540 8.221 0.319 26059 6165 1 9 . 1 1 62 62 PHE N N 62 123.700 123.700 122.808 0.892 26059 6166 1 9 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.736 -0.146 26059 6167 1 9 . 1 1 62 62 PHE CA C 62 57.400 57.400 56.202 1.198 26059 6168 1 9 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.006 -0.606 26059 6169 1 9 . 1 1 62 62 PHE H H 62 8.640 8.640 8.005 0.635 26059 6170 1 9 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.531 -0.121 26059 6171 1 9 . 1 1 63 63 PRO C C 63 176.400 176.400 176.242 0.158 26059 6172 1 9 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.374 -0.774 26059 6173 1 9 . 1 1 63 63 PRO CB C 63 31.860 31.860 31.979 -0.119 26059 6174 1 9 . 1 1 64 64 ARG N N 64 116.840 116.840 120.383 -3.543 26059 6175 1 9 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.120 -0.020 26059 6176 1 9 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.104 -0.494 26059 6177 1 9 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.629 0.201 26059 6178 1 9 . 1 1 64 64 ARG H H 64 8.890 8.890 8.846 0.044 26059 6179 1 9 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.369 -0.379 26059 6180 1 9 . 1 1 65 65 PRO C C 65 175.800 175.800 176.680 -0.880 26059 6181 1 9 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.678 1.131 26059 6182 1 9 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.264 -0.385 26059 6183 1 9 . 1 1 66 66 LYS N N 66 119.035 119.035 119.431 -0.396 26059 6184 1 9 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.570 0.040 26059 6185 1 9 . 1 1 66 66 LYS C C 66 175.400 175.400 175.554 -0.154 26059 6186 1 9 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.137 0.316 26059 6187 1 9 . 1 1 66 66 LYS CB C 66 31.730 31.730 33.278 -1.548 26059 6188 1 9 . 1 1 66 66 LYS H H 66 7.630 7.630 7.923 -0.293 26059 6189 1 9 . 1 1 67 67 ARG N N 67 127.394 127.394 128.024 -0.630 26059 6190 1 9 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.702 0.038 26059 6191 1 9 . 1 1 67 67 ARG C C 67 174.500 174.500 175.093 -0.593 26059 6192 1 9 . 1 1 67 67 ARG CA C 67 52.800 52.800 53.095 -0.295 26059 6193 1 9 . 1 1 67 67 ARG CB C 67 29.714 29.714 30.430 -0.716 26059 6194 1 9 . 1 1 67 67 ARG H H 67 8.855 8.855 8.515 0.340 26059 6195 1 9 . 1 1 68 68 VAL N N 68 124.388 124.388 120.595 3.793 26059 6196 1 9 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.355 -0.775 26059 6197 1 9 . 1 1 68 68 VAL C C 68 176.850 176.850 176.003 0.847 26059 6198 1 9 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.534 1.539 26059 6199 1 9 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.525 0.079 26059 6200 1 9 . 1 1 68 68 VAL H H 68 8.681 8.681 8.367 0.314 26059 6201 1 9 . 1 1 69 69 CYS N N 69 127.080 127.080 127.788 -0.708 26059 6202 1 9 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.846 0.224 26059 6203 1 9 . 1 1 69 69 CYS CA C 69 58.346 58.346 58.568 -0.222 26059 6204 1 9 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.274 0.896 26059 6205 1 9 . 1 1 69 69 CYS H H 69 9.455 9.455 9.145 0.310 26059 6206 1 9 . 1 1 70 70 LYS N N 70 125.480 125.480 124.113 1.367 26059 6207 1 9 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.654 -0.164 26059 6208 1 9 . 1 1 70 70 LYS C C 70 174.300 174.300 176.666 -2.366 26059 6209 1 9 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.471 -0.111 26059 6210 1 9 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.562 -0.392 26059 6211 1 9 . 1 1 70 70 LYS H H 70 9.050 9.050 8.705 0.345 26059 6212 1 9 . 1 1 71 71 ASP N N 71 116.940 116.940 122.062 -5.122 26059 6213 1 9 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.765 0.335 26059 6214 1 9 . 1 1 71 71 ASP CA C 71 51.080 51.080 54.090 -3.010 26059 6215 1 9 . 1 1 71 71 ASP CB C 71 43.380 43.380 40.803 2.577 26059 6216 1 9 . 1 1 71 71 ASP H H 71 7.620 7.620 8.185 -0.565 26059 6217 1 9 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.273 -1.013 26059 6218 1 9 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.633 -1.983 26059 6219 1 9 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.881 -0.841 26059 6220 1 9 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.909 0.191 26059 6221 1 9 . 1 1 73 73 PRO C C 73 174.700 174.700 176.363 -1.663 26059 6222 1 9 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.835 -2.145 26059 6223 1 9 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.538 2.502 26059 6224 1 9 . 1 1 74 74 TYR N N 74 125.400 125.400 124.644 0.756 26059 6225 1 9 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.376 0.474 26059 6226 1 9 . 1 1 74 74 TYR C C 74 172.900 172.900 175.505 -2.605 26059 6227 1 9 . 1 1 74 74 TYR CA C 74 55.670 55.670 59.239 -3.569 26059 6228 1 9 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.935 -1.535 26059 6229 1 9 . 1 1 74 74 TYR H H 74 8.960 8.960 8.268 0.692 26059 6230 1 9 . 1 1 75 75 LYS N N 75 121.400 121.400 119.645 1.755 26059 6231 1 9 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.466 0.124 26059 6232 1 9 . 1 1 75 75 LYS C C 75 173.800 173.800 174.605 -0.805 26059 6233 1 9 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.266 0.384 26059 6234 1 9 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.192 -1.302 26059 6235 1 9 . 1 1 75 75 LYS H H 75 7.670 7.670 8.066 -0.396 26059 6236 1 9 . 1 1 76 76 VAL N N 76 119.800 119.800 122.343 -2.543 26059 6237 1 9 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.314 -0.424 26059 6238 1 9 . 1 1 76 76 VAL C C 76 173.900 173.900 174.470 -0.570 26059 6239 1 9 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.454 1.276 26059 6240 1 9 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.135 0.405 26059 6241 1 9 . 1 1 76 76 VAL H H 76 8.180 8.180 8.446 -0.266 26059 6242 1 9 . 1 1 77 77 GLU N N 77 126.190 126.190 126.436 -0.246 26059 6243 1 9 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.071 -0.121 26059 6244 1 9 . 1 1 77 77 GLU C C 77 174.700 174.700 175.392 -0.692 26059 6245 1 9 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.978 -0.039 26059 6246 1 9 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.462 0.088 26059 6247 1 9 . 1 1 77 77 GLU H H 77 8.270 8.270 8.738 -0.468 26059 6248 1 9 . 1 1 78 78 GLU N N 78 126.180 126.180 124.031 2.149 26059 6249 1 9 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.583 -0.133 26059 6250 1 9 . 1 1 78 78 GLU C C 78 175.400 175.400 173.668 1.732 26059 6251 1 9 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.085 -0.085 26059 6252 1 9 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.802 3.298 26059 6253 1 9 . 1 1 78 78 GLU H H 78 7.870 7.870 8.248 -0.378 26059 6254 1 9 . 1 1 79 79 SER N N 79 112.109 112.109 114.227 -2.118 26059 6255 1 9 . 1 1 79 79 SER HA H 79 5.560 5.560 5.549 0.011 26059 6256 1 9 . 1 1 79 79 SER C C 79 172.490 172.490 173.441 -0.951 26059 6257 1 9 . 1 1 79 79 SER CA C 79 57.754 57.754 56.218 1.536 26059 6258 1 9 . 1 1 79 79 SER CB C 79 65.861 65.861 65.710 0.150 26059 6259 1 9 . 1 1 79 79 SER H H 79 7.714 7.714 8.373 -0.659 26059 6260 1 9 . 1 1 80 80 GLY N N 80 106.048 106.048 110.519 -4.471 26059 6261 1 9 . 1 1 80 80 GLY C C 80 172.630 172.630 172.078 0.552 26059 6262 1 9 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.369 0.331 26059 6263 1 9 . 1 1 80 80 GLY H H 80 8.828 8.828 9.032 -0.204 26059 6264 1 9 . 1 1 81 81 TYR N N 81 115.280 115.280 113.680 1.600 26059 6265 1 9 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.342 0.338 26059 6266 1 9 . 1 1 81 81 TYR C C 81 174.100 174.100 174.235 -0.135 26059 6267 1 9 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.600 -2.100 26059 6268 1 9 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.433 0.567 26059 6269 1 9 . 1 1 81 81 TYR H H 81 8.770 8.770 8.194 0.576 26059 6270 1 9 . 1 1 82 82 ALA N N 82 122.350 122.350 123.098 -0.748 26059 6271 1 9 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.522 -0.082 26059 6272 1 9 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.257 -0.217 26059 6273 1 9 . 1 1 82 82 ALA CB C 82 22.400 22.400 20.828 1.572 26059 6274 1 9 . 1 1 82 82 ALA H H 82 7.160 7.160 7.198 -0.038 26059 6275 1 9 . 1 1 83 83 GLY N N 83 107.100 107.100 109.224 -2.124 26059 6276 1 9 . 1 1 83 83 GLY C C 83 172.500 172.500 173.561 -1.061 26059 6277 1 9 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.855 -0.245 26059 6278 1 9 . 1 1 83 83 GLY H H 83 8.220 8.220 8.325 -0.105 26059 6279 1 9 . 1 1 84 84 PHE N N 84 111.660 111.660 116.818 -5.158 26059 6280 1 9 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.547 0.143 26059 6281 1 9 . 1 1 84 84 PHE C C 84 172.460 172.460 173.279 -0.819 26059 6282 1 9 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.566 0.934 26059 6283 1 9 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.941 -1.361 26059 6284 1 9 . 1 1 84 84 PHE H H 84 7.700 7.700 7.864 -0.164 26059 6285 1 9 . 1 1 85 85 ILE N N 85 117.810 117.810 121.641 -3.831 26059 6286 1 9 . 1 1 85 85 ILE HA H 85 4.310 4.310 3.991 0.319 26059 6287 1 9 . 1 1 85 85 ILE CA C 85 59.340 59.340 61.026 -1.686 26059 6288 1 9 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.671 -1.411 26059 6289 1 9 . 1 1 85 85 ILE H H 85 8.340 8.340 8.324 0.016 26059 6290 1 9 . 1 1 86 86 LEU N N 86 108.130 108.130 129.360 -21.230 26059 6291 1 9 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.984 -0.004 26059 6292 1 9 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.868 2.332 26059 6293 1 9 . 1 1 86 86 LEU CB C 86 45.300 45.300 45.020 0.280 26059 6294 1 9 . 1 1 86 86 LEU H H 86 9.900 9.900 8.695 1.205 26059 6295 1 9 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.878 0.222 26059 6296 1 9 . 1 1 87 87 PRO C C 87 175.340 175.340 176.062 -0.722 26059 6297 1 9 . 1 1 87 87 PRO CA C 87 63.110 63.110 62.966 0.144 26059 6298 1 9 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.657 -0.097 26059 6299 1 9 . 1 1 88 88 ILE N N 88 126.000 126.000 126.463 -0.463 26059 6300 1 9 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.542 0.248 26059 6301 1 9 . 1 1 88 88 ILE C C 88 176.100 176.100 174.919 1.181 26059 6302 1 9 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.234 0.326 26059 6303 1 9 . 1 1 88 88 ILE CB C 88 42.000 42.000 40.362 1.637 26059 6304 1 9 . 1 1 88 88 ILE H H 88 9.380 9.380 9.187 0.193 26059 6305 1 9 . 1 1 89 89 GLU N N 89 123.900 123.900 127.578 -3.678 26059 6306 1 9 . 1 1 89 89 GLU HA H 89 5.200 5.200 4.996 0.204 26059 6307 1 9 . 1 1 89 89 GLU C C 89 173.800 173.800 175.199 -1.399 26059 6308 1 9 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.454 -0.484 26059 6309 1 9 . 1 1 89 89 GLU CB C 89 34.380 34.380 32.093 2.287 26059 6310 1 9 . 1 1 89 89 GLU H H 89 9.320 9.320 8.475 0.845 26059 6311 1 9 . 1 1 90 90 VAL N N 90 123.980 123.980 124.210 -0.230 26059 6312 1 9 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.855 0.305 26059 6313 1 9 . 1 1 90 90 VAL C C 90 174.800 174.800 174.228 0.572 26059 6314 1 9 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.679 -0.289 26059 6315 1 9 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.856 -0.366 26059 6316 1 9 . 1 1 90 90 VAL H H 90 8.630 8.630 7.977 0.653 26059 6317 1 9 . 1 1 91 91 TYR N N 91 124.230 124.230 125.967 -1.737 26059 6318 1 9 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.817 -0.157 26059 6319 1 9 . 1 1 91 91 TYR C C 91 176.800 176.800 175.573 1.227 26059 6320 1 9 . 1 1 91 91 TYR CA C 91 56.700 56.700 56.986 -0.286 26059 6321 1 9 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.668 0.572 26059 6322 1 9 . 1 1 91 91 TYR H H 91 8.640 8.640 8.874 -0.234 26059 6323 1 9 . 1 1 92 92 PHE N N 92 121.200 121.200 122.025 -0.825 26059 6324 1 9 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.392 0.268 26059 6325 1 9 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.194 1.316 26059 6326 1 9 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.339 -0.339 26059 6327 1 9 . 1 1 92 92 PHE H H 92 8.750 8.750 9.317 -0.567 26059 6328 1 9 . 1 1 93 93 LYS N N 93 123.450 123.450 122.822 0.628 26059 6329 1 9 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.598 0.002 26059 6330 1 9 . 1 1 93 93 LYS C C 93 174.200 174.200 175.333 -1.133 26059 6331 1 9 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.662 -0.482 26059 6332 1 9 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.726 -0.045 26059 6333 1 9 . 1 1 93 93 LYS H H 93 8.560 8.560 9.092 -0.532 26059 6334 1 9 . 1 1 94 94 ASN N N 94 118.800 118.800 123.267 -4.467 26059 6335 1 9 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.836 -0.396 26059 6336 1 9 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.295 -1.085 26059 6337 1 9 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.482 -1.682 26059 6338 1 9 . 1 1 94 94 ASN H H 94 7.820 7.820 8.019 -0.199 26059 6339 1 9 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.424 -0.094 26059 6340 1 9 . 1 1 95 95 LYS C C 95 175.800 175.800 175.647 0.153 26059 6341 1 9 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.007 0.203 26059 6342 1 9 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.900 0.110 26059 6343 1 9 . 1 1 96 96 GLU N N 96 118.330 118.330 120.848 -2.518 26059 6344 1 9 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.303 0.207 26059 6345 1 9 . 1 1 96 96 GLU C C 96 173.200 173.200 175.561 -2.361 26059 6346 1 9 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.490 -0.390 26059 6347 1 9 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.343 1.127 26059 6348 1 9 . 1 1 96 96 GLU H H 96 7.120 7.120 7.586 -0.466 26059 6349 1 9 . 1 1 97 97 GLU N N 97 115.630 115.630 119.742 -4.112 26059 6350 1 9 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.089 0.341 26059 6351 1 9 . 1 1 97 97 GLU CA C 97 54.860 54.860 55.786 -0.926 26059 6352 1 9 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.786 0.484 26059 6353 1 9 . 1 1 97 97 GLU H H 97 8.060 8.060 8.227 -0.167 26059 6354 1 9 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.258 0.742 26059 6355 1 9 . 1 1 98 98 PRO C C 98 175.900 175.900 176.525 -0.625 26059 6356 1 9 . 1 1 98 98 PRO CA C 98 62.160 62.160 63.999 -1.839 26059 6357 1 9 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.877 2.123 26059 6358 1 9 . 1 1 99 99 ARG N N 99 122.800 122.800 120.873 1.927 26059 6359 1 9 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.611 0.019 26059 6360 1 9 . 1 1 99 99 ARG C C 99 175.800 175.800 175.415 0.385 26059 6361 1 9 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.648 0.552 26059 6362 1 9 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.550 -0.140 26059 6363 1 9 . 1 1 99 99 ARG H H 99 8.602 8.602 8.686 -0.084 26059 6364 1 9 . 1 1 100 100 LYS N N 100 113.220 113.220 117.724 -4.504 26059 6365 1 9 . 1 1 100 100 LYS HA H 100 4.940 4.940 5.002 -0.062 26059 6366 1 9 . 1 1 100 100 LYS C C 100 174.100 174.100 174.847 -0.747 26059 6367 1 9 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.926 -0.535 26059 6368 1 9 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.827 -1.107 26059 6369 1 9 . 1 1 100 100 LYS H H 100 7.650 7.650 7.398 0.252 26059 6370 1 9 . 1 1 101 101 VAL N N 101 116.230 116.230 118.163 -1.933 26059 6371 1 9 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.362 -0.092 26059 6372 1 9 . 1 1 101 101 VAL C C 101 171.600 171.600 173.423 -1.823 26059 6373 1 9 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.276 0.984 26059 6374 1 9 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.582 -0.402 26059 6375 1 9 . 1 1 101 101 VAL H H 101 8.120 8.120 8.208 -0.088 26059 6376 1 9 . 1 1 102 102 ARG N N 102 124.980 124.980 124.001 0.979 26059 6377 1 9 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.753 0.407 26059 6378 1 9 . 1 1 102 102 ARG C C 102 174.340 174.340 174.578 -0.238 26059 6379 1 9 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.724 -0.974 26059 6380 1 9 . 1 1 102 102 ARG CB C 102 33.350 33.350 32.100 1.250 26059 6381 1 9 . 1 1 102 102 ARG H H 102 7.930 7.930 8.021 -0.091 26059 6382 1 9 . 1 1 103 103 PHE N N 103 124.590 124.590 124.830 -0.240 26059 6383 1 9 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.724 0.068 26059 6384 1 9 . 1 1 103 103 PHE C C 103 174.280 174.280 174.570 -0.290 26059 6385 1 9 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.837 0.644 26059 6386 1 9 . 1 1 103 103 PHE CB C 103 42.250 42.250 41.673 0.577 26059 6387 1 9 . 1 1 103 103 PHE H H 103 9.390 9.390 9.200 0.190 26059 6388 1 9 . 1 1 104 104 ASP N N 104 124.700 124.700 122.907 1.793 26059 6389 1 9 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.615 0.184 26059 6390 1 9 . 1 1 104 104 ASP C C 104 174.500 174.500 174.422 0.078 26059 6391 1 9 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.676 0.714 26059 6392 1 9 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.529 -0.299 26059 6393 1 9 . 1 1 104 104 ASP H H 104 9.010 9.010 8.832 0.178 26059 6394 1 9 . 1 1 105 105 TYR N N 105 129.840 129.840 124.533 5.307 26059 6395 1 9 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.731 -0.661 26059 6396 1 9 . 1 1 105 105 TYR C C 105 173.100 173.100 173.461 -0.361 26059 6397 1 9 . 1 1 105 105 TYR CA C 105 58.680 58.680 57.363 1.317 26059 6398 1 9 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.355 -0.505 26059 6399 1 9 . 1 1 105 105 TYR H H 105 8.140 8.140 8.036 0.104 26059 6400 1 9 . 1 1 106 106 ASP N N 106 126.800 126.800 126.839 -0.039 26059 6401 1 9 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.413 -0.193 26059 6402 1 9 . 1 1 106 106 ASP C C 106 172.900 172.900 174.601 -1.701 26059 6403 1 9 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.271 0.239 26059 6404 1 9 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.377 -1.877 26059 6405 1 9 . 1 1 106 106 ASP H H 106 7.730 7.730 8.340 -0.610 26059 6406 1 9 . 1 1 107 107 LEU N N 107 132.150 132.150 128.727 3.423 26059 6407 1 9 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.474 -0.634 26059 6408 1 9 . 1 1 107 107 LEU C C 107 172.100 172.100 174.795 -2.695 26059 6409 1 9 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.579 -0.379 26059 6410 1 9 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.510 -1.270 26059 6411 1 9 . 1 1 107 107 LEU H H 107 7.770 7.770 7.570 0.200 26059 6412 1 9 . 1 1 108 108 PHE N N 108 118.960 118.960 121.415 -2.455 26059 6413 1 9 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.831 -0.141 26059 6414 1 9 . 1 1 108 108 PHE C C 108 174.300 174.300 173.713 0.587 26059 6415 1 9 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.374 -0.685 26059 6416 1 9 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.608 -0.318 26059 6417 1 9 . 1 1 108 108 PHE H H 108 6.060 6.060 7.438 -1.378 26059 6418 1 9 . 1 1 109 109 LEU N N 109 118.900 118.900 119.695 -0.795 26059 6419 1 9 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.519 -0.119 26059 6420 1 9 . 1 1 109 109 LEU CA C 109 52.160 52.160 52.865 -0.705 26059 6421 1 9 . 1 1 109 109 LEU CB C 109 43.080 43.080 44.735 -1.655 26059 6422 1 9 . 1 1 109 109 LEU H H 109 8.388 8.388 8.098 0.290 26059 6423 1 9 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.460 -0.020 26059 6424 1 9 . 1 1 111 111 LEU C C 111 177.300 177.300 176.983 0.317 26059 6425 1 9 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.438 -1.218 26059 6426 1 9 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.563 1.307 26059 6427 1 9 . 1 1 112 112 GLU N N 112 120.660 120.660 124.349 -3.689 26059 6428 1 9 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.078 0.092 26059 6429 1 9 . 1 1 112 112 GLU CA C 112 58.460 58.460 57.780 0.680 26059 6430 1 9 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.112 0.078 26059 6431 1 9 . 1 1 112 112 GLU H H 112 8.780 8.780 8.858 -0.078 26059 6432 1 9 . 1 1 113 113 GLY C C 113 173.900 173.900 173.632 0.268 26059 6433 1 9 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.871 0.079 26059 6434 1 9 . 1 1 114 114 HIS N N 114 120.890 120.890 120.197 0.693 26059 6435 1 9 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.948 -0.042 26059 6436 1 9 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.811 0.959 26059 6437 1 9 . 1 1 114 114 HIS CB C 114 30.590 30.590 32.008 -1.418 26059 6438 1 9 . 1 1 114 114 HIS H H 114 7.934 7.934 7.877 0.057 26059 6439 1 9 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.302 0.498 26059 6440 1 9 . 1 1 115 115 PRO CA C 115 62.090 62.090 62.931 -0.841 26059 6441 1 9 . 1 1 115 115 PRO CB C 115 30.680 30.680 30.643 0.037 26059 6442 1 9 . 1 1 116 116 PRO HA H 116 4.210 4.210 5.044 -0.834 26059 6443 1 9 . 1 1 116 116 PRO C C 116 176.600 176.600 175.823 0.777 26059 6444 1 9 . 1 1 116 116 PRO CB C 116 32.300 32.300 33.937 -1.637 26059 6445 1 9 . 1 1 117 117 VAL N N 117 127.480 127.480 120.008 7.472 26059 6446 1 9 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.067 -0.277 26059 6447 1 9 . 1 1 117 117 VAL CA C 117 62.700 62.700 60.885 1.815 26059 6448 1 9 . 1 1 117 117 VAL CB C 117 33.200 33.200 33.184 0.016 26059 6449 1 9 . 1 1 117 117 VAL H H 117 8.890 8.890 8.486 0.404 26059 6450 1 9 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.063 -0.073 26059 6451 1 9 . 1 1 118 118 ASN C C 118 172.700 172.700 173.678 -0.978 26059 6452 1 9 . 1 1 118 118 ASN CA C 118 53.360 53.360 53.082 0.278 26059 6453 1 9 . 1 1 118 118 ASN CB C 118 39.200 39.200 39.987 -0.787 26059 6454 1 9 . 1 1 119 119 HIS N N 119 124.930 124.930 125.801 -0.871 26059 6455 1 9 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.052 -0.232 26059 6456 1 9 . 1 1 119 119 HIS C C 119 173.500 173.500 173.090 0.410 26059 6457 1 9 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.022 1.948 26059 6458 1 9 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.602 0.668 26059 6459 1 9 . 1 1 119 119 HIS H H 119 8.790 8.790 8.461 0.329 26059 6460 1 9 . 1 1 120 120 LEU N N 120 128.280 128.280 125.317 2.963 26059 6461 1 9 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.717 0.233 26059 6462 1 9 . 1 1 120 120 LEU C C 120 174.030 174.030 175.804 -1.774 26059 6463 1 9 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.503 0.497 26059 6464 1 9 . 1 1 120 120 LEU CB C 120 46.600 46.600 43.843 2.757 26059 6465 1 9 . 1 1 120 120 LEU H H 120 7.460 7.460 8.263 -0.803 26059 6466 1 9 . 1 1 121 121 ARG N N 121 128.060 128.060 121.613 6.447 26059 6467 1 9 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.348 0.292 26059 6468 1 9 . 1 1 121 121 ARG C C 121 173.400 173.400 174.012 -0.612 26059 6469 1 9 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.830 -0.470 26059 6470 1 9 . 1 1 121 121 ARG CB C 121 34.260 34.260 32.470 1.790 26059 6471 1 9 . 1 1 121 121 ARG H H 121 9.860 9.860 8.583 1.277 26059 6472 1 9 . 1 1 122 122 CYS N N 122 125.290 125.290 125.172 0.118 26059 6473 1 9 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.319 -0.299 26059 6474 1 9 . 1 1 122 122 CYS C C 122 174.600 174.600 174.415 0.185 26059 6475 1 9 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.073 1.217 26059 6476 1 9 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.755 -1.725 26059 6477 1 9 . 1 1 122 122 CYS H H 122 8.835 8.835 8.803 0.032 26059 6478 1 9 . 1 1 123 123 GLU N N 123 125.920 125.920 124.494 1.426 26059 6479 1 9 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.523 0.157 26059 6480 1 9 . 1 1 123 123 GLU C C 123 174.500 174.500 174.674 -0.174 26059 6481 1 9 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.541 -0.121 26059 6482 1 9 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.949 -0.366 26059 6483 1 9 . 1 1 123 123 GLU H H 123 8.970 8.970 9.091 -0.121 26059 6484 1 9 . 1 1 124 124 LYS N N 124 121.837 121.837 124.705 -2.868 26059 6485 1 9 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.892 0.068 26059 6486 1 9 . 1 1 124 124 LYS C C 124 175.700 175.700 175.959 -0.259 26059 6487 1 9 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.349 0.008 26059 6488 1 9 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.642 0.547 26059 6489 1 9 . 1 1 124 124 LYS H H 124 8.652 8.652 8.483 0.169 26059 6490 1 9 . 1 1 125 125 LEU N N 125 127.000 127.000 129.712 -2.712 26059 6491 1 9 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.472 0.178 26059 6492 1 9 . 1 1 125 125 LEU C C 125 175.110 175.110 175.500 -0.390 26059 6493 1 9 . 1 1 125 125 LEU CA C 125 53.854 53.854 54.132 -0.278 26059 6494 1 9 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.744 1.523 26059 6495 1 9 . 1 1 125 125 LEU H H 125 9.175 9.175 9.016 0.159 26059 6496 1 9 . 1 1 126 126 THR N N 126 117.779 117.779 120.428 -2.649 26059 6497 1 9 . 1 1 126 126 THR HA H 126 4.650 4.650 4.424 0.226 26059 6498 1 9 . 1 1 126 126 THR C C 126 173.200 173.200 173.491 -0.291 26059 6499 1 9 . 1 1 126 126 THR CA C 126 62.036 62.036 61.931 0.104 26059 6500 1 9 . 1 1 126 126 THR CB C 126 70.284 70.284 69.641 0.643 26059 6501 1 9 . 1 1 126 126 THR H H 126 8.331 8.331 8.376 -0.045 26059 6502 1 9 . 1 1 127 127 PHE N N 127 126.576 126.576 127.535 -0.959 26059 6503 1 9 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.776 -0.186 26059 6504 1 9 . 1 1 127 127 PHE C C 127 174.860 174.860 174.271 0.589 26059 6505 1 9 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.301 1.563 26059 6506 1 9 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.445 -1.445 26059 6507 1 9 . 1 1 127 127 PHE H H 127 9.051 9.051 8.939 0.112 26059 6508 1 9 . 1 1 128 128 ASN N N 128 123.040 123.040 121.712 1.328 26059 6509 1 9 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.601 0.019 26059 6510 1 9 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.478 1.002 26059 6511 1 9 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.796 0.664 26059 6512 1 9 . 1 1 128 128 ASN H H 128 8.880 8.880 8.801 0.079 26059 6513 1 9 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.618 0.142 26059 6514 1 9 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.203 -0.303 26059 6515 1 9 . 1 1 129 129 ASN CB C 129 38.730 38.730 38.343 0.388 26059 6516 1 9 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.489 0.301 26059 6517 1 9 . 1 1 130 130 PRO C C 130 177.470 177.470 176.783 0.687 26059 6518 1 9 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.561 0.013 26059 6519 1 9 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.827 -0.517 26059 6520 1 9 . 1 1 131 131 THR N N 131 113.400 113.400 110.804 2.596 26059 6521 1 9 . 1 1 131 131 THR HA H 131 4.300 4.300 4.315 -0.015 26059 6522 1 9 . 1 1 131 131 THR C C 131 175.200 175.200 175.979 -0.779 26059 6523 1 9 . 1 1 131 131 THR CA C 131 62.200 62.200 61.385 0.815 26059 6524 1 9 . 1 1 131 131 THR CB C 131 70.600 70.600 69.800 0.800 26059 6525 1 9 . 1 1 131 131 THR H H 131 8.950 8.950 8.201 0.749 26059 6526 1 9 . 1 1 132 132 GLU N N 132 122.199 122.199 124.993 -2.794 26059 6527 1 9 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.920 0.090 26059 6528 1 9 . 1 1 132 132 GLU C C 132 178.700 178.700 178.090 0.610 26059 6529 1 9 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.563 -0.269 26059 6530 1 9 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.601 -0.440 26059 6531 1 9 . 1 1 132 132 GLU H H 132 8.932 8.932 9.109 -0.177 26059 6532 1 9 . 1 1 133 133 ASP N N 133 116.324 116.324 118.092 -1.768 26059 6533 1 9 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.411 -0.081 26059 6534 1 9 . 1 1 133 133 ASP C C 133 177.800 177.800 178.298 -0.498 26059 6535 1 9 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.693 0.667 26059 6536 1 9 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.864 1.959 26059 6537 1 9 . 1 1 133 133 ASP H H 133 8.490 8.490 8.737 -0.247 26059 6538 1 9 . 1 1 134 134 PHE N N 134 119.914 119.914 122.501 -2.587 26059 6539 1 9 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.187 0.423 26059 6540 1 9 . 1 1 134 134 PHE C C 134 177.300 177.300 177.041 0.259 26059 6541 1 9 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.453 -0.915 26059 6542 1 9 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.309 -0.109 26059 6543 1 9 . 1 1 134 134 PHE H H 134 7.787 7.787 7.568 0.219 26059 6544 1 9 . 1 1 135 135 ARG N N 135 119.794 119.794 120.515 -0.721 26059 6545 1 9 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.765 -0.415 26059 6546 1 9 . 1 1 135 135 ARG C C 135 177.370 177.370 178.086 -0.716 26059 6547 1 9 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.106 0.270 26059 6548 1 9 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.028 0.368 26059 6549 1 9 . 1 1 135 135 ARG H H 135 9.087 9.087 8.501 0.586 26059 6550 1 9 . 1 1 136 136 ARG N N 136 114.554 114.554 118.646 -4.092 26059 6551 1 9 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.976 -0.156 26059 6552 1 9 . 1 1 136 136 ARG C C 136 178.950 178.950 178.643 0.307 26059 6553 1 9 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.537 -0.237 26059 6554 1 9 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.009 0.208 26059 6555 1 9 . 1 1 136 136 ARG H H 136 7.747 7.747 8.389 -0.642 26059 6556 1 9 . 1 1 137 137 LYS N N 137 118.298 118.298 118.950 -0.652 26059 6557 1 9 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.039 -0.139 26059 6558 1 9 . 1 1 137 137 LYS C C 137 177.980 177.980 178.845 -0.865 26059 6559 1 9 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.372 1.023 26059 6560 1 9 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.308 0.139 26059 6561 1 9 . 1 1 137 137 LYS H H 137 7.154 7.154 7.406 -0.252 26059 6562 1 9 . 1 1 138 138 LEU N N 138 117.159 117.159 119.322 -2.163 26059 6563 1 9 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.791 -0.371 26059 6564 1 9 . 1 1 138 138 LEU C C 138 179.100 179.100 178.617 0.483 26059 6565 1 9 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.292 -0.061 26059 6566 1 9 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.599 0.729 26059 6567 1 9 . 1 1 138 138 LEU H H 138 7.709 7.709 7.816 -0.107 26059 6568 1 9 . 1 1 139 139 LEU N N 139 115.158 115.158 116.500 -1.342 26059 6569 1 9 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.135 0.015 26059 6570 1 9 . 1 1 139 139 LEU C C 139 177.600 177.600 178.567 -0.967 26059 6571 1 9 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.609 -1.081 26059 6572 1 9 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.992 -0.248 26059 6573 1 9 . 1 1 139 139 LEU H H 139 7.507 7.507 8.195 -0.688 26059 6574 1 9 . 1 1 140 140 LYS N N 140 120.256 120.256 119.191 1.065 26059 6575 1 9 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.050 0.060 26059 6576 1 9 . 1 1 140 140 LYS C C 140 175.800 175.800 177.087 -1.287 26059 6577 1 9 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.141 -0.089 26059 6578 1 9 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.714 -0.068 26059 6579 1 9 . 1 1 140 140 LYS H H 140 7.304 7.304 7.533 -0.229 26059 6580 1 10 . 1 1 4 4 MET C C 4 175.800 175.800 176.294 -0.494 26059 6581 1 10 . 1 1 4 4 MET CA C 4 55.350 55.350 56.014 -0.664 26059 6582 1 10 . 1 1 4 4 MET CB C 4 32.880 32.880 33.609 -0.730 26059 6583 1 10 . 1 1 5 5 ALA N N 5 125.230 125.230 123.858 1.372 26059 6584 1 10 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.006 0.344 26059 6585 1 10 . 1 1 5 5 ALA CA C 5 52.430 52.430 53.577 -1.147 26059 6586 1 10 . 1 1 5 5 ALA CB C 5 19.370 19.370 17.299 2.071 26059 6587 1 10 . 1 1 5 5 ALA H H 5 8.320 8.320 8.466 -0.146 26059 6588 1 10 . 1 1 6 6 SER HA H 6 4.490 4.490 4.623 -0.133 26059 6589 1 10 . 1 1 6 6 SER CA C 6 58.200 58.200 57.873 0.327 26059 6590 1 10 . 1 1 6 6 SER CB C 6 63.700 63.700 64.184 -0.484 26059 6591 1 10 . 1 1 7 7 SER HA H 7 4.530 4.530 5.026 -0.496 26059 6592 1 10 . 1 1 7 7 SER CA C 7 58.200 58.200 57.711 0.489 26059 6593 1 10 . 1 1 7 7 SER CB C 7 63.700 63.700 63.576 0.124 26059 6594 1 10 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.499 0.111 26059 6595 1 10 . 1 1 8 8 CYS C C 8 173.500 173.500 173.270 0.230 26059 6596 1 10 . 1 1 8 8 CYS CA C 8 58.340 58.340 58.306 0.034 26059 6597 1 10 . 1 1 8 8 CYS CB C 8 28.490 28.490 28.298 0.192 26059 6598 1 10 . 1 1 9 9 ALA N N 9 124.700 124.700 132.035 -7.335 26059 6599 1 10 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.127 -0.337 26059 6600 1 10 . 1 1 9 9 ALA C C 9 177.400 177.400 176.453 0.947 26059 6601 1 10 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.788 1.282 26059 6602 1 10 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.095 0.534 26059 6603 1 10 . 1 1 9 9 ALA H H 9 7.960 7.960 8.482 -0.522 26059 6604 1 10 . 1 1 10 10 VAL N N 10 120.124 120.124 124.385 -4.261 26059 6605 1 10 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.329 -0.039 26059 6606 1 10 . 1 1 10 10 VAL C C 10 173.900 173.900 174.776 -0.876 26059 6607 1 10 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.162 0.388 26059 6608 1 10 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.401 1.499 26059 6609 1 10 . 1 1 10 10 VAL H H 10 8.424 8.424 8.277 0.147 26059 6610 1 10 . 1 1 11 11 GLN N N 11 125.818 125.818 123.442 2.376 26059 6611 1 10 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.276 0.284 26059 6612 1 10 . 1 1 11 11 GLN C C 11 175.400 175.400 175.126 0.274 26059 6613 1 10 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.022 0.101 26059 6614 1 10 . 1 1 11 11 GLN CB C 11 32.029 32.029 31.105 0.924 26059 6615 1 10 . 1 1 11 11 GLN H H 11 8.636 8.636 8.280 0.356 26059 6616 1 10 . 1 1 12 12 VAL N N 12 119.106 119.106 117.952 1.154 26059 6617 1 10 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.326 0.304 26059 6618 1 10 . 1 1 12 12 VAL C C 12 173.800 173.800 174.842 -1.042 26059 6619 1 10 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.527 0.273 26059 6620 1 10 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.508 2.203 26059 6621 1 10 . 1 1 12 12 VAL H H 12 8.827 8.827 8.642 0.185 26059 6622 1 10 . 1 1 13 13 LYS N N 13 121.700 121.700 120.189 1.511 26059 6623 1 10 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.213 -0.013 26059 6624 1 10 . 1 1 13 13 LYS C C 13 175.030 175.030 175.423 -0.393 26059 6625 1 10 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.437 -0.007 26059 6626 1 10 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.791 0.129 26059 6627 1 10 . 1 1 13 13 LYS H H 13 8.234 8.234 8.351 -0.117 26059 6628 1 10 . 1 1 14 14 LEU N N 14 119.100 119.100 122.842 -3.742 26059 6629 1 10 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.309 -0.359 26059 6630 1 10 . 1 1 14 14 LEU C C 14 175.110 175.110 175.248 -0.138 26059 6631 1 10 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.292 0.065 26059 6632 1 10 . 1 1 14 14 LEU CB C 14 46.921 46.921 46.336 0.585 26059 6633 1 10 . 1 1 14 14 LEU H H 14 8.840 8.840 9.085 -0.245 26059 6634 1 10 . 1 1 15 15 GLU N N 15 120.978 120.978 123.471 -2.493 26059 6635 1 10 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.234 -0.244 26059 6636 1 10 . 1 1 15 15 GLU C C 15 173.800 173.800 174.808 -1.008 26059 6637 1 10 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.355 1.073 26059 6638 1 10 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.474 -0.648 26059 6639 1 10 . 1 1 15 15 GLU H H 15 9.181 9.181 9.262 -0.081 26059 6640 1 10 . 1 1 16 16 LEU N N 16 124.438 124.438 127.633 -3.195 26059 6641 1 10 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.247 -0.137 26059 6642 1 10 . 1 1 16 16 LEU C C 16 174.700 174.700 176.128 -1.428 26059 6643 1 10 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.849 0.227 26059 6644 1 10 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.121 3.771 26059 6645 1 10 . 1 1 16 16 LEU H H 16 8.891 8.891 8.390 0.501 26059 6646 1 10 . 1 1 17 17 GLY N N 17 108.067 108.067 110.945 -2.878 26059 6647 1 10 . 1 1 17 17 GLY C C 17 170.350 170.350 171.640 -1.290 26059 6648 1 10 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.439 2.545 26059 6649 1 10 . 1 1 17 17 GLY H H 17 7.227 7.227 8.858 -1.631 26059 6650 1 10 . 1 1 18 18 HIS N N 18 111.200 111.200 116.794 -5.594 26059 6651 1 10 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.152 0.468 26059 6652 1 10 . 1 1 18 18 HIS C C 18 172.400 172.400 172.603 -0.203 26059 6653 1 10 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.917 0.023 26059 6654 1 10 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.534 1.626 26059 6655 1 10 . 1 1 18 18 HIS H H 18 8.150 8.150 8.522 -0.372 26059 6656 1 10 . 1 1 19 19 ARG N N 19 117.800 117.800 120.665 -2.865 26059 6657 1 10 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.181 -0.081 26059 6658 1 10 . 1 1 19 19 ARG C C 19 175.800 175.800 174.369 1.431 26059 6659 1 10 . 1 1 19 19 ARG CA C 19 53.500 53.500 53.928 -0.429 26059 6660 1 10 . 1 1 19 19 ARG CB C 19 34.650 34.650 33.995 0.655 26059 6661 1 10 . 1 1 19 19 ARG H H 19 9.010 9.010 8.723 0.287 26059 6662 1 10 . 1 1 20 20 ALA N N 20 120.390 120.390 126.035 -5.645 26059 6663 1 10 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.133 0.407 26059 6664 1 10 . 1 1 20 20 ALA C C 20 175.800 175.800 175.216 0.584 26059 6665 1 10 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.675 0.915 26059 6666 1 10 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.379 1.371 26059 6667 1 10 . 1 1 20 20 ALA H H 20 8.070 8.070 8.898 -0.828 26059 6668 1 10 . 1 1 21 21 GLN N N 21 121.790 121.790 124.033 -2.243 26059 6669 1 10 . 1 1 21 21 GLN HA H 21 5.230 5.230 4.938 0.292 26059 6670 1 10 . 1 1 21 21 GLN CA C 21 54.330 54.330 54.009 0.321 26059 6671 1 10 . 1 1 21 21 GLN CB C 21 32.900 32.900 33.136 -0.236 26059 6672 1 10 . 1 1 21 21 GLN H H 21 9.240 9.240 8.715 0.525 26059 6673 1 10 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.342 -0.712 26059 6674 1 10 . 1 1 22 22 VAL C C 22 176.500 176.500 175.339 1.161 26059 6675 1 10 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.526 2.504 26059 6676 1 10 . 1 1 22 22 VAL CB C 22 31.600 31.600 33.957 -2.357 26059 6677 1 10 . 1 1 23 23 ARG N N 23 127.840 127.840 126.269 1.571 26059 6678 1 10 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.653 -0.523 26059 6679 1 10 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.913 1.287 26059 6680 1 10 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.275 0.875 26059 6681 1 10 . 1 1 23 23 ARG H H 23 8.720 8.720 8.719 0.001 26059 6682 1 10 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.233 -0.193 26059 6683 1 10 . 1 1 24 24 LYS C C 24 176.960 176.960 176.569 0.391 26059 6684 1 10 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.531 1.269 26059 6685 1 10 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.514 -0.454 26059 6686 1 10 . 1 1 25 25 LYS N N 25 115.870 115.870 120.516 -4.646 26059 6687 1 10 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.755 0.075 26059 6688 1 10 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.774 -0.814 26059 6689 1 10 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.814 1.266 26059 6690 1 10 . 1 1 25 25 LYS H H 25 7.720 7.720 7.570 0.150 26059 6691 1 10 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.500 0.330 26059 6692 1 10 . 1 1 26 26 PRO C C 26 177.400 177.400 176.894 0.506 26059 6693 1 10 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.199 -0.549 26059 6694 1 10 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.237 0.153 26059 6695 1 10 . 1 1 27 27 THR N N 27 111.270 111.270 114.673 -3.403 26059 6696 1 10 . 1 1 27 27 THR HA H 27 4.530 4.530 4.252 0.278 26059 6697 1 10 . 1 1 27 27 THR C C 27 177.300 177.300 176.977 0.323 26059 6698 1 10 . 1 1 27 27 THR CA C 27 61.300 61.300 61.406 -0.106 26059 6699 1 10 . 1 1 27 27 THR CB C 27 71.460 71.460 69.941 1.519 26059 6700 1 10 . 1 1 27 27 THR H H 27 8.380 8.380 8.379 0.001 26059 6701 1 10 . 1 1 28 28 VAL N N 28 121.170 121.170 118.787 2.383 26059 6702 1 10 . 1 1 28 28 VAL HA H 28 3.883 3.883 4.007 -0.124 26059 6703 1 10 . 1 1 28 28 VAL C C 28 177.030 177.030 175.938 1.092 26059 6704 1 10 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.694 0.506 26059 6705 1 10 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.592 -0.192 26059 6706 1 10 . 1 1 28 28 VAL H H 28 8.910 8.910 8.513 0.397 26059 6707 1 10 . 1 1 29 29 GLU N N 29 116.800 116.800 120.780 -3.980 26059 6708 1 10 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.046 -0.126 26059 6709 1 10 . 1 1 29 29 GLU C C 29 176.200 176.200 176.407 -0.207 26059 6710 1 10 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.578 1.671 26059 6711 1 10 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.535 -0.365 26059 6712 1 10 . 1 1 29 29 GLU H H 29 7.990 7.990 8.026 -0.036 26059 6713 1 10 . 1 1 30 30 GLY N N 30 105.500 105.500 107.010 -1.510 26059 6714 1 10 . 1 1 30 30 GLY C C 30 174.900 174.900 173.719 1.181 26059 6715 1 10 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.170 -0.710 26059 6716 1 10 . 1 1 30 30 GLY H H 30 7.950 7.950 7.657 0.293 26059 6717 1 10 . 1 1 31 31 PHE N N 31 119.300 119.300 118.331 0.969 26059 6718 1 10 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.920 -0.160 26059 6719 1 10 . 1 1 31 31 PHE C C 31 176.400 176.400 176.325 0.075 26059 6720 1 10 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.331 1.569 26059 6721 1 10 . 1 1 31 31 PHE CB C 31 35.500 35.500 40.245 -4.745 26059 6722 1 10 . 1 1 31 31 PHE H H 31 7.520 7.520 7.381 0.139 26059 6723 1 10 . 1 1 32 32 THR N N 32 112.300 112.300 115.544 -3.244 26059 6724 1 10 . 1 1 32 32 THR HA H 32 4.330 4.330 4.370 -0.040 26059 6725 1 10 . 1 1 32 32 THR C C 32 175.200 175.200 174.399 0.801 26059 6726 1 10 . 1 1 32 32 THR CA C 32 62.780 62.780 63.349 -0.569 26059 6727 1 10 . 1 1 32 32 THR CB C 32 70.350 70.350 69.553 0.797 26059 6728 1 10 . 1 1 32 32 THR H H 32 7.770 7.770 8.862 -1.092 26059 6729 1 10 . 1 1 33 33 HIS N N 33 121.900 121.900 120.588 1.312 26059 6730 1 10 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.460 0.040 26059 6731 1 10 . 1 1 33 33 HIS C C 33 173.880 173.880 173.604 0.276 26059 6732 1 10 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.640 1.140 26059 6733 1 10 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.191 2.449 26059 6734 1 10 . 1 1 33 33 HIS H H 33 9.110 9.110 8.720 0.390 26059 6735 1 10 . 1 1 34 34 ASP N N 34 120.300 120.300 122.716 -2.416 26059 6736 1 10 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.457 -0.057 26059 6737 1 10 . 1 1 34 34 ASP C C 34 175.100 175.100 175.387 -0.287 26059 6738 1 10 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.539 -0.229 26059 6739 1 10 . 1 1 34 34 ASP CB C 34 43.000 43.000 42.691 0.309 26059 6740 1 10 . 1 1 34 34 ASP H H 34 8.810 8.810 9.049 -0.239 26059 6741 1 10 . 1 1 35 35 TRP N N 35 119.800 119.800 121.779 -1.979 26059 6742 1 10 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.797 -0.067 26059 6743 1 10 . 1 1 35 35 TRP C C 35 174.900 174.900 173.731 1.169 26059 6744 1 10 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.214 0.686 26059 6745 1 10 . 1 1 35 35 TRP CB C 35 34.670 34.670 33.018 1.652 26059 6746 1 10 . 1 1 35 35 TRP H H 35 9.250 9.250 8.793 0.457 26059 6747 1 10 . 1 1 36 36 MET N N 36 120.980 120.980 123.683 -2.703 26059 6748 1 10 . 1 1 36 36 MET HA H 36 5.750 5.750 5.940 -0.190 26059 6749 1 10 . 1 1 36 36 MET C C 36 173.700 173.700 174.749 -1.049 26059 6750 1 10 . 1 1 36 36 MET CA C 36 54.830 54.830 53.659 1.171 26059 6751 1 10 . 1 1 36 36 MET CB C 36 35.220 35.220 36.125 -0.905 26059 6752 1 10 . 1 1 36 36 MET H H 36 9.080 9.080 9.190 -0.110 26059 6753 1 10 . 1 1 37 37 VAL N N 37 126.220 126.220 122.278 3.942 26059 6754 1 10 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.123 0.187 26059 6755 1 10 . 1 1 37 37 VAL C C 37 172.300 172.300 174.467 -2.167 26059 6756 1 10 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.598 -1.058 26059 6757 1 10 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.200 1.870 26059 6758 1 10 . 1 1 37 37 VAL H H 37 9.080 9.080 8.580 0.500 26059 6759 1 10 . 1 1 38 38 PHE N N 38 120.640 120.640 118.973 1.667 26059 6760 1 10 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.118 -0.148 26059 6761 1 10 . 1 1 38 38 PHE C C 38 172.960 172.960 173.617 -0.657 26059 6762 1 10 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.388 0.742 26059 6763 1 10 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.627 0.373 26059 6764 1 10 . 1 1 38 38 PHE H H 38 8.320 8.320 8.672 -0.352 26059 6765 1 10 . 1 1 39 39 VAL N N 39 116.500 116.500 117.736 -1.236 26059 6766 1 10 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.825 -0.815 26059 6767 1 10 . 1 1 39 39 VAL C C 39 174.700 174.700 174.885 -0.185 26059 6768 1 10 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.066 1.574 26059 6769 1 10 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.013 0.387 26059 6770 1 10 . 1 1 39 39 VAL H H 39 8.580 8.580 9.118 -0.538 26059 6771 1 10 . 1 1 40 40 ARG N N 40 124.100 124.100 124.246 -0.146 26059 6772 1 10 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.156 -0.076 26059 6773 1 10 . 1 1 40 40 ARG C C 40 173.800 173.800 175.348 -1.548 26059 6774 1 10 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.599 0.701 26059 6775 1 10 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.575 -0.995 26059 6776 1 10 . 1 1 40 40 ARG H H 40 9.880 9.880 8.926 0.954 26059 6777 1 10 . 1 1 41 41 GLY N N 41 107.640 107.640 107.908 -0.268 26059 6778 1 10 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.572 1.398 26059 6779 1 10 . 1 1 41 41 GLY H H 41 8.910 8.910 7.962 0.948 26059 6780 1 10 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.178 0.312 26059 6781 1 10 . 1 1 42 42 PRO C C 42 177.300 177.300 176.838 0.462 26059 6782 1 10 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.512 -1.072 26059 6783 1 10 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.473 0.638 26059 6784 1 10 . 1 1 43 43 GLU N N 43 121.050 121.050 122.893 -1.843 26059 6785 1 10 . 1 1 43 43 GLU HA H 43 3.790 3.790 4.016 -0.226 26059 6786 1 10 . 1 1 43 43 GLU C C 43 176.110 176.110 175.517 0.593 26059 6787 1 10 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.652 0.198 26059 6788 1 10 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.238 0.613 26059 6789 1 10 . 1 1 43 43 GLU H H 43 9.060 9.060 9.145 -0.085 26059 6790 1 10 . 1 1 44 44 HIS N N 44 114.100 114.100 110.429 3.671 26059 6791 1 10 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.104 0.247 26059 6792 1 10 . 1 1 44 44 HIS C C 44 175.170 175.170 174.619 0.551 26059 6793 1 10 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.245 0.405 26059 6794 1 10 . 1 1 44 44 HIS CB C 44 28.370 28.370 28.447 -0.077 26059 6795 1 10 . 1 1 44 44 HIS H H 44 8.420 8.420 8.134 0.286 26059 6796 1 10 . 1 1 45 45 SER N N 45 115.540 115.540 115.841 -0.301 26059 6797 1 10 . 1 1 45 45 SER HA H 45 4.560 4.560 4.362 0.198 26059 6798 1 10 . 1 1 45 45 SER C C 45 173.700 173.700 174.143 -0.443 26059 6799 1 10 . 1 1 45 45 SER CA C 45 58.710 58.710 59.625 -0.915 26059 6800 1 10 . 1 1 45 45 SER CB C 45 64.500 64.500 63.781 0.719 26059 6801 1 10 . 1 1 45 45 SER H H 45 7.870 7.870 7.533 0.337 26059 6802 1 10 . 1 1 46 46 ASN N N 46 123.900 123.900 124.358 -0.458 26059 6803 1 10 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.665 0.455 26059 6804 1 10 . 1 1 46 46 ASN C C 46 176.300 176.300 175.553 0.747 26059 6805 1 10 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.853 -1.163 26059 6806 1 10 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.457 -0.727 26059 6807 1 10 . 1 1 46 46 ASN H H 46 9.480 9.480 8.847 0.633 26059 6808 1 10 . 1 1 47 47 ILE N N 47 115.240 115.240 119.520 -4.280 26059 6809 1 10 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.115 -0.175 26059 6810 1 10 . 1 1 47 47 ILE C C 47 176.000 176.000 176.635 -0.635 26059 6811 1 10 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.264 1.936 26059 6812 1 10 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.245 -0.545 26059 6813 1 10 . 1 1 47 47 ILE H H 47 8.170 8.170 8.411 -0.241 26059 6814 1 10 . 1 1 48 48 GLN N N 48 123.200 123.200 120.774 2.426 26059 6815 1 10 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.147 0.133 26059 6816 1 10 . 1 1 48 48 GLN C C 48 175.670 175.670 177.121 -1.451 26059 6817 1 10 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.347 -0.447 26059 6818 1 10 . 1 1 48 48 GLN CB C 48 26.990 26.990 28.003 -1.013 26059 6819 1 10 . 1 1 48 48 GLN H H 48 8.850 8.850 7.953 0.897 26059 6820 1 10 . 1 1 49 49 HIS N N 49 115.400 115.400 117.432 -2.032 26059 6821 1 10 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.418 0.152 26059 6822 1 10 . 1 1 49 49 HIS C C 49 176.380 176.380 177.017 -0.637 26059 6823 1 10 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.094 -0.344 26059 6824 1 10 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.354 1.266 26059 6825 1 10 . 1 1 49 49 HIS H H 49 7.400 7.400 7.945 -0.545 26059 6826 1 10 . 1 1 50 50 PHE N N 50 109.800 109.800 113.261 -3.461 26059 6827 1 10 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.896 0.334 26059 6828 1 10 . 1 1 50 50 PHE C C 50 173.800 173.800 174.709 -0.909 26059 6829 1 10 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.204 -0.544 26059 6830 1 10 . 1 1 50 50 PHE CB C 50 41.000 41.000 40.119 0.881 26059 6831 1 10 . 1 1 50 50 PHE H H 50 7.570 7.570 7.515 0.055 26059 6832 1 10 . 1 1 51 51 VAL N N 51 127.810 127.810 121.310 6.500 26059 6833 1 10 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.592 -0.222 26059 6834 1 10 . 1 1 51 51 VAL C C 51 174.500 174.500 175.458 -0.958 26059 6835 1 10 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.937 0.063 26059 6836 1 10 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.644 0.636 26059 6837 1 10 . 1 1 51 51 VAL H H 51 7.810 7.810 8.156 -0.346 26059 6838 1 10 . 1 1 52 52 GLU N N 52 130.700 130.700 129.216 1.484 26059 6839 1 10 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.482 -0.502 26059 6840 1 10 . 1 1 52 52 GLU C C 52 175.400 175.400 175.471 -0.071 26059 6841 1 10 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.325 0.675 26059 6842 1 10 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.804 -0.224 26059 6843 1 10 . 1 1 52 52 GLU H H 52 9.380 9.380 9.171 0.209 26059 6844 1 10 . 1 1 53 53 LYS N N 53 109.200 109.200 117.807 -8.607 26059 6845 1 10 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.733 0.067 26059 6846 1 10 . 1 1 53 53 LYS C C 53 172.300 172.300 174.166 -1.866 26059 6847 1 10 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.950 -0.111 26059 6848 1 10 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.768 -1.518 26059 6849 1 10 . 1 1 53 53 LYS H H 53 7.190 7.190 7.524 -0.334 26059 6850 1 10 . 1 1 54 54 VAL N N 54 120.380 120.380 121.422 -1.042 26059 6851 1 10 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.777 -0.007 26059 6852 1 10 . 1 1 54 54 VAL C C 54 173.600 173.600 173.838 -0.238 26059 6853 1 10 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.215 0.825 26059 6854 1 10 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.690 -0.990 26059 6855 1 10 . 1 1 54 54 VAL H H 54 8.450 8.450 8.538 -0.088 26059 6856 1 10 . 1 1 55 55 VAL N N 55 126.920 126.920 121.504 5.416 26059 6857 1 10 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.273 -0.573 26059 6858 1 10 . 1 1 55 55 VAL C C 55 173.800 173.800 173.417 0.383 26059 6859 1 10 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.538 1.333 26059 6860 1 10 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.870 -1.770 26059 6861 1 10 . 1 1 55 55 VAL H H 55 9.260 9.260 8.512 0.748 26059 6862 1 10 . 1 1 56 56 PHE N N 56 126.130 126.130 127.256 -1.126 26059 6863 1 10 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.870 -0.148 26059 6864 1 10 . 1 1 56 56 PHE C C 56 174.000 174.000 174.886 -0.886 26059 6865 1 10 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.119 0.461 26059 6866 1 10 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.710 0.180 26059 6867 1 10 . 1 1 56 56 PHE H H 56 9.290 9.290 9.137 0.153 26059 6868 1 10 . 1 1 57 57 HIS N N 57 124.180 124.180 125.345 -1.165 26059 6869 1 10 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.871 -0.071 26059 6870 1 10 . 1 1 57 57 HIS C C 57 174.700 174.700 174.978 -0.278 26059 6871 1 10 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.698 -1.378 26059 6872 1 10 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.041 2.059 26059 6873 1 10 . 1 1 57 57 HIS H H 57 8.690 8.690 8.395 0.295 26059 6874 1 10 . 1 1 58 58 LEU N N 58 122.050 122.050 124.067 -2.017 26059 6875 1 10 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.520 -0.210 26059 6876 1 10 . 1 1 58 58 LEU C C 58 174.400 174.400 176.954 -2.554 26059 6877 1 10 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.328 1.082 26059 6878 1 10 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.736 -1.576 26059 6879 1 10 . 1 1 58 58 LEU H H 58 9.050 9.050 8.723 0.327 26059 6880 1 10 . 1 1 59 59 HIS N N 59 118.510 118.510 118.301 0.209 26059 6881 1 10 . 1 1 59 59 HIS C C 59 175.300 175.300 176.490 -1.190 26059 6882 1 10 . 1 1 59 59 HIS CA C 59 59.110 59.110 56.301 2.809 26059 6883 1 10 . 1 1 59 59 HIS CB C 59 30.930 30.930 30.768 0.162 26059 6884 1 10 . 1 1 59 59 HIS H H 59 5.160 5.160 7.855 -2.695 26059 6885 1 10 . 1 1 60 60 GLU N N 60 122.190 122.190 126.029 -3.839 26059 6886 1 10 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.001 -0.041 26059 6887 1 10 . 1 1 60 60 GLU C C 60 175.130 175.130 176.970 -1.840 26059 6888 1 10 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.253 -0.243 26059 6889 1 10 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.578 0.242 26059 6890 1 10 . 1 1 60 60 GLU H H 60 7.960 7.960 8.393 -0.433 26059 6891 1 10 . 1 1 61 61 SER N N 61 116.940 116.940 112.478 4.462 26059 6892 1 10 . 1 1 61 61 SER HA H 61 4.200 4.200 4.474 -0.274 26059 6893 1 10 . 1 1 61 61 SER CA C 61 60.010 60.010 58.935 1.075 26059 6894 1 10 . 1 1 61 61 SER CB C 61 63.140 63.140 63.977 -0.837 26059 6895 1 10 . 1 1 61 61 SER H H 61 8.540 8.540 8.193 0.347 26059 6896 1 10 . 1 1 62 62 PHE N N 62 123.700 123.700 123.582 0.118 26059 6897 1 10 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.703 -0.113 26059 6898 1 10 . 1 1 62 62 PHE CA C 62 57.400 57.400 55.344 2.056 26059 6899 1 10 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.023 -0.623 26059 6900 1 10 . 1 1 62 62 PHE H H 62 8.640 8.640 8.163 0.477 26059 6901 1 10 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.442 -0.032 26059 6902 1 10 . 1 1 63 63 PRO C C 63 176.400 176.400 176.268 0.132 26059 6903 1 10 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.607 -1.007 26059 6904 1 10 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.126 -0.266 26059 6905 1 10 . 1 1 64 64 ARG N N 64 116.840 116.840 120.481 -3.641 26059 6906 1 10 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.154 -0.054 26059 6907 1 10 . 1 1 64 64 ARG CA C 64 55.610 55.610 55.936 -0.326 26059 6908 1 10 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.692 0.138 26059 6909 1 10 . 1 1 64 64 ARG H H 64 8.890 8.890 8.597 0.293 26059 6910 1 10 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.338 -0.348 26059 6911 1 10 . 1 1 65 65 PRO C C 65 175.800 175.800 176.996 -1.196 26059 6912 1 10 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.008 1.802 26059 6913 1 10 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.161 -0.281 26059 6914 1 10 . 1 1 66 66 LYS N N 66 119.035 119.035 119.465 -0.430 26059 6915 1 10 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.537 0.073 26059 6916 1 10 . 1 1 66 66 LYS C C 66 175.400 175.400 175.676 -0.276 26059 6917 1 10 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.405 0.048 26059 6918 1 10 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.290 -0.560 26059 6919 1 10 . 1 1 66 66 LYS H H 66 7.630 7.630 7.914 -0.284 26059 6920 1 10 . 1 1 67 67 ARG N N 67 127.394 127.394 128.537 -1.143 26059 6921 1 10 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.629 0.111 26059 6922 1 10 . 1 1 67 67 ARG C C 67 174.500 174.500 175.070 -0.570 26059 6923 1 10 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.726 0.074 26059 6924 1 10 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.687 0.027 26059 6925 1 10 . 1 1 67 67 ARG H H 67 8.855 8.855 8.810 0.045 26059 6926 1 10 . 1 1 68 68 VAL N N 68 124.388 124.388 121.303 3.085 26059 6927 1 10 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.222 -0.642 26059 6928 1 10 . 1 1 68 68 VAL C C 68 176.850 176.850 175.803 1.047 26059 6929 1 10 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.374 1.699 26059 6930 1 10 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.018 0.586 26059 6931 1 10 . 1 1 68 68 VAL H H 68 8.681 8.681 8.212 0.469 26059 6932 1 10 . 1 1 69 69 CYS N N 69 127.080 127.080 127.891 -0.811 26059 6933 1 10 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.858 0.212 26059 6934 1 10 . 1 1 69 69 CYS CA C 69 58.346 58.346 58.503 -0.157 26059 6935 1 10 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.671 0.499 26059 6936 1 10 . 1 1 69 69 CYS H H 69 9.455 9.455 8.994 0.461 26059 6937 1 10 . 1 1 70 70 LYS N N 70 125.480 125.480 123.752 1.728 26059 6938 1 10 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.629 -0.139 26059 6939 1 10 . 1 1 70 70 LYS C C 70 174.300 174.300 176.585 -2.285 26059 6940 1 10 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.128 0.232 26059 6941 1 10 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.707 -0.537 26059 6942 1 10 . 1 1 70 70 LYS H H 70 9.050 9.050 8.798 0.252 26059 6943 1 10 . 1 1 71 71 ASP N N 71 116.940 116.940 121.148 -4.208 26059 6944 1 10 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.750 0.350 26059 6945 1 10 . 1 1 71 71 ASP CA C 71 51.080 51.080 52.431 -1.351 26059 6946 1 10 . 1 1 71 71 ASP CB C 71 43.380 43.380 39.956 3.424 26059 6947 1 10 . 1 1 71 71 ASP H H 71 7.620 7.620 8.037 -0.417 26059 6948 1 10 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.253 -0.993 26059 6949 1 10 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.747 -2.097 26059 6950 1 10 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.635 -0.595 26059 6951 1 10 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.929 0.171 26059 6952 1 10 . 1 1 73 73 PRO C C 73 174.700 174.700 176.432 -1.732 26059 6953 1 10 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.747 -2.057 26059 6954 1 10 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.586 2.454 26059 6955 1 10 . 1 1 74 74 TYR N N 74 125.400 125.400 124.629 0.771 26059 6956 1 10 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.391 0.459 26059 6957 1 10 . 1 1 74 74 TYR C C 74 172.900 172.900 175.353 -2.453 26059 6958 1 10 . 1 1 74 74 TYR CA C 74 55.670 55.670 59.066 -3.396 26059 6959 1 10 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.568 -1.168 26059 6960 1 10 . 1 1 74 74 TYR H H 74 8.960 8.960 8.219 0.741 26059 6961 1 10 . 1 1 75 75 LYS N N 75 121.400 121.400 119.632 1.768 26059 6962 1 10 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.618 -0.028 26059 6963 1 10 . 1 1 75 75 LYS C C 75 173.800 173.800 174.919 -1.119 26059 6964 1 10 . 1 1 75 75 LYS CA C 75 54.650 54.650 53.948 0.702 26059 6965 1 10 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.107 -1.217 26059 6966 1 10 . 1 1 75 75 LYS H H 75 7.670 7.670 8.096 -0.426 26059 6967 1 10 . 1 1 76 76 VAL N N 76 119.800 119.800 121.974 -2.174 26059 6968 1 10 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.280 -0.390 26059 6969 1 10 . 1 1 76 76 VAL C C 76 173.900 173.900 174.518 -0.618 26059 6970 1 10 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.266 1.464 26059 6971 1 10 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.143 0.397 26059 6972 1 10 . 1 1 76 76 VAL H H 76 8.180 8.180 8.554 -0.374 26059 6973 1 10 . 1 1 77 77 GLU N N 77 126.190 126.190 126.376 -0.186 26059 6974 1 10 . 1 1 77 77 GLU HA H 77 4.950 4.950 4.809 0.141 26059 6975 1 10 . 1 1 77 77 GLU C C 77 174.700 174.700 175.464 -0.764 26059 6976 1 10 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.822 0.118 26059 6977 1 10 . 1 1 77 77 GLU CB C 77 31.550 31.550 30.204 1.346 26059 6978 1 10 . 1 1 77 77 GLU H H 77 8.270 8.270 8.735 -0.465 26059 6979 1 10 . 1 1 78 78 GLU N N 78 126.180 126.180 124.249 1.931 26059 6980 1 10 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.541 -0.091 26059 6981 1 10 . 1 1 78 78 GLU C C 78 175.400 175.400 173.684 1.716 26059 6982 1 10 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.148 -0.147 26059 6983 1 10 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.953 3.147 26059 6984 1 10 . 1 1 78 78 GLU H H 78 7.870 7.870 8.219 -0.349 26059 6985 1 10 . 1 1 79 79 SER N N 79 112.109 112.109 115.100 -2.991 26059 6986 1 10 . 1 1 79 79 SER HA H 79 5.560 5.560 5.598 -0.038 26059 6987 1 10 . 1 1 79 79 SER C C 79 172.490 172.490 173.782 -1.292 26059 6988 1 10 . 1 1 79 79 SER CA C 79 57.754 57.754 56.404 1.350 26059 6989 1 10 . 1 1 79 79 SER CB C 79 65.861 65.861 65.203 0.658 26059 6990 1 10 . 1 1 79 79 SER H H 79 7.714 7.714 8.535 -0.821 26059 6991 1 10 . 1 1 80 80 GLY N N 80 106.048 106.048 111.399 -5.351 26059 6992 1 10 . 1 1 80 80 GLY C C 80 172.630 172.630 171.842 0.788 26059 6993 1 10 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.903 -0.203 26059 6994 1 10 . 1 1 80 80 GLY H H 80 8.828 8.828 9.031 -0.203 26059 6995 1 10 . 1 1 81 81 TYR N N 81 115.280 115.280 116.479 -1.199 26059 6996 1 10 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.460 0.220 26059 6997 1 10 . 1 1 81 81 TYR C C 81 174.100 174.100 174.395 -0.295 26059 6998 1 10 . 1 1 81 81 TYR CA C 81 55.500 55.500 56.898 -1.398 26059 6999 1 10 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.584 0.416 26059 7000 1 10 . 1 1 81 81 TYR H H 81 8.770 8.770 8.090 0.680 26059 7001 1 10 . 1 1 82 82 ALA N N 82 122.350 122.350 122.262 0.088 26059 7002 1 10 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.505 -0.065 26059 7003 1 10 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.480 -0.440 26059 7004 1 10 . 1 1 82 82 ALA CB C 82 22.400 22.400 21.107 1.293 26059 7005 1 10 . 1 1 82 82 ALA H H 82 7.160 7.160 7.158 0.002 26059 7006 1 10 . 1 1 83 83 GLY N N 83 107.100 107.100 108.465 -1.365 26059 7007 1 10 . 1 1 83 83 GLY C C 83 172.500 172.500 173.565 -1.065 26059 7008 1 10 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.660 -0.050 26059 7009 1 10 . 1 1 83 83 GLY H H 83 8.220 8.220 8.307 -0.087 26059 7010 1 10 . 1 1 84 84 PHE N N 84 111.660 111.660 117.429 -5.769 26059 7011 1 10 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.632 0.058 26059 7012 1 10 . 1 1 84 84 PHE C C 84 172.460 172.460 173.243 -0.783 26059 7013 1 10 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.533 0.967 26059 7014 1 10 . 1 1 84 84 PHE CB C 84 38.580 38.580 40.294 -1.714 26059 7015 1 10 . 1 1 84 84 PHE H H 84 7.700 7.700 7.972 -0.272 26059 7016 1 10 . 1 1 85 85 ILE N N 85 117.810 117.810 121.066 -3.256 26059 7017 1 10 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.007 0.303 26059 7018 1 10 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.848 -1.508 26059 7019 1 10 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.668 -1.408 26059 7020 1 10 . 1 1 85 85 ILE H H 85 8.340 8.340 8.290 0.050 26059 7021 1 10 . 1 1 86 86 LEU N N 86 108.130 108.130 129.302 -21.172 26059 7022 1 10 . 1 1 86 86 LEU HA H 86 4.980 4.980 5.006 -0.026 26059 7023 1 10 . 1 1 86 86 LEU CA C 86 53.200 53.200 51.046 2.154 26059 7024 1 10 . 1 1 86 86 LEU CB C 86 45.300 45.300 45.218 0.082 26059 7025 1 10 . 1 1 86 86 LEU H H 86 9.900 9.900 8.690 1.210 26059 7026 1 10 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.597 0.503 26059 7027 1 10 . 1 1 87 87 PRO C C 87 175.340 175.340 175.822 -0.482 26059 7028 1 10 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.231 -0.121 26059 7029 1 10 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.301 0.259 26059 7030 1 10 . 1 1 88 88 ILE N N 88 126.000 126.000 126.677 -0.677 26059 7031 1 10 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.554 0.236 26059 7032 1 10 . 1 1 88 88 ILE C C 88 176.100 176.100 174.963 1.137 26059 7033 1 10 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.283 0.277 26059 7034 1 10 . 1 1 88 88 ILE CB C 88 42.000 42.000 40.170 1.830 26059 7035 1 10 . 1 1 88 88 ILE H H 88 9.380 9.380 8.927 0.453 26059 7036 1 10 . 1 1 89 89 GLU N N 89 123.900 123.900 127.654 -3.754 26059 7037 1 10 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.150 0.050 26059 7038 1 10 . 1 1 89 89 GLU C C 89 173.800 173.800 175.326 -1.526 26059 7039 1 10 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.313 -0.343 26059 7040 1 10 . 1 1 89 89 GLU CB C 89 34.380 34.380 32.129 2.251 26059 7041 1 10 . 1 1 89 89 GLU H H 89 9.320 9.320 8.528 0.792 26059 7042 1 10 . 1 1 90 90 VAL N N 90 123.980 123.980 124.190 -0.210 26059 7043 1 10 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.865 0.295 26059 7044 1 10 . 1 1 90 90 VAL C C 90 174.800 174.800 174.345 0.455 26059 7045 1 10 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.675 -0.285 26059 7046 1 10 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.818 -0.328 26059 7047 1 10 . 1 1 90 90 VAL H H 90 8.630 8.630 8.034 0.596 26059 7048 1 10 . 1 1 91 91 TYR N N 91 124.230 124.230 126.272 -2.042 26059 7049 1 10 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.814 -0.154 26059 7050 1 10 . 1 1 91 91 TYR C C 91 176.800 176.800 175.538 1.262 26059 7051 1 10 . 1 1 91 91 TYR CA C 91 56.700 56.700 56.954 -0.254 26059 7052 1 10 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.628 0.612 26059 7053 1 10 . 1 1 91 91 TYR H H 91 8.640 8.640 8.949 -0.309 26059 7054 1 10 . 1 1 92 92 PHE N N 92 121.200 121.200 122.361 -1.161 26059 7055 1 10 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.274 0.386 26059 7056 1 10 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.185 1.325 26059 7057 1 10 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.214 -0.214 26059 7058 1 10 . 1 1 92 92 PHE H H 92 8.750 8.750 9.049 -0.299 26059 7059 1 10 . 1 1 93 93 LYS N N 93 123.450 123.450 123.303 0.147 26059 7060 1 10 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.470 0.130 26059 7061 1 10 . 1 1 93 93 LYS C C 93 174.200 174.200 175.223 -1.023 26059 7062 1 10 . 1 1 93 93 LYS CA C 93 55.180 55.180 56.245 -1.065 26059 7063 1 10 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.661 0.019 26059 7064 1 10 . 1 1 93 93 LYS H H 93 8.560 8.560 9.007 -0.447 26059 7065 1 10 . 1 1 94 94 ASN N N 94 118.800 118.800 122.347 -3.547 26059 7066 1 10 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.895 -0.455 26059 7067 1 10 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.565 -1.355 26059 7068 1 10 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.718 -1.918 26059 7069 1 10 . 1 1 94 94 ASN H H 94 7.820 7.820 8.052 -0.232 26059 7070 1 10 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.339 -0.009 26059 7071 1 10 . 1 1 95 95 LYS C C 95 175.800 175.800 175.549 0.251 26059 7072 1 10 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.551 -0.341 26059 7073 1 10 . 1 1 95 95 LYS CB C 95 33.010 33.010 33.069 -0.060 26059 7074 1 10 . 1 1 96 96 GLU N N 96 118.330 118.330 119.506 -1.176 26059 7075 1 10 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.299 0.211 26059 7076 1 10 . 1 1 96 96 GLU C C 96 173.200 173.200 175.891 -2.691 26059 7077 1 10 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.520 -0.420 26059 7078 1 10 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.524 0.946 26059 7079 1 10 . 1 1 96 96 GLU H H 96 7.120 7.120 7.685 -0.565 26059 7080 1 10 . 1 1 97 97 GLU N N 97 115.630 115.630 119.706 -4.076 26059 7081 1 10 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.062 0.368 26059 7082 1 10 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.197 -1.337 26059 7083 1 10 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.077 1.193 26059 7084 1 10 . 1 1 97 97 GLU H H 97 8.060 8.060 8.265 -0.205 26059 7085 1 10 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.221 0.779 26059 7086 1 10 . 1 1 98 98 PRO C C 98 175.900 175.900 176.864 -0.964 26059 7087 1 10 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.085 -1.925 26059 7088 1 10 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.911 2.089 26059 7089 1 10 . 1 1 99 99 ARG N N 99 122.800 122.800 120.365 2.435 26059 7090 1 10 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.511 0.119 26059 7091 1 10 . 1 1 99 99 ARG C C 99 175.800 175.800 175.568 0.232 26059 7092 1 10 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.764 0.436 26059 7093 1 10 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.494 -0.084 26059 7094 1 10 . 1 1 99 99 ARG H H 99 8.602 8.602 8.640 -0.038 26059 7095 1 10 . 1 1 100 100 LYS N N 100 113.220 113.220 116.677 -3.457 26059 7096 1 10 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.910 0.030 26059 7097 1 10 . 1 1 100 100 LYS C C 100 174.100 174.100 174.578 -0.478 26059 7098 1 10 . 1 1 100 100 LYS CA C 100 53.391 53.391 54.190 -0.799 26059 7099 1 10 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.727 -1.007 26059 7100 1 10 . 1 1 100 100 LYS H H 100 7.650 7.650 7.351 0.299 26059 7101 1 10 . 1 1 101 101 VAL N N 101 116.230 116.230 117.759 -1.529 26059 7102 1 10 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.410 -0.140 26059 7103 1 10 . 1 1 101 101 VAL C C 101 171.600 171.600 173.261 -1.661 26059 7104 1 10 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.291 0.969 26059 7105 1 10 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.649 -0.469 26059 7106 1 10 . 1 1 101 101 VAL H H 101 8.120 8.120 8.132 -0.012 26059 7107 1 10 . 1 1 102 102 ARG N N 102 124.980 124.980 123.997 0.983 26059 7108 1 10 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.923 0.237 26059 7109 1 10 . 1 1 102 102 ARG C C 102 174.340 174.340 174.861 -0.521 26059 7110 1 10 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.763 -1.012 26059 7111 1 10 . 1 1 102 102 ARG CB C 102 33.350 33.350 32.130 1.220 26059 7112 1 10 . 1 1 102 102 ARG H H 102 7.930 7.930 8.050 -0.120 26059 7113 1 10 . 1 1 103 103 PHE N N 103 124.590 124.590 126.673 -2.083 26059 7114 1 10 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.773 0.019 26059 7115 1 10 . 1 1 103 103 PHE C C 103 174.280 174.280 174.437 -0.157 26059 7116 1 10 . 1 1 103 103 PHE CA C 103 55.480 55.480 55.049 0.431 26059 7117 1 10 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.825 1.425 26059 7118 1 10 . 1 1 103 103 PHE H H 103 9.390 9.390 9.165 0.225 26059 7119 1 10 . 1 1 104 104 ASP N N 104 124.700 124.700 126.092 -1.392 26059 7120 1 10 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.701 0.098 26059 7121 1 10 . 1 1 104 104 ASP C C 104 174.500 174.500 174.901 -0.401 26059 7122 1 10 . 1 1 104 104 ASP CA C 104 54.390 54.390 54.714 -0.324 26059 7123 1 10 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.937 -0.707 26059 7124 1 10 . 1 1 104 104 ASP H H 104 9.010 9.010 9.030 -0.020 26059 7125 1 10 . 1 1 105 105 TYR N N 105 129.840 129.840 126.745 3.095 26059 7126 1 10 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.678 -0.608 26059 7127 1 10 . 1 1 105 105 TYR C C 105 173.100 173.100 173.157 -0.057 26059 7128 1 10 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.757 1.923 26059 7129 1 10 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.383 -0.533 26059 7130 1 10 . 1 1 105 105 TYR H H 105 8.140 8.140 8.419 -0.279 26059 7131 1 10 . 1 1 106 106 ASP N N 106 126.800 126.800 127.029 -0.229 26059 7132 1 10 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.376 -0.156 26059 7133 1 10 . 1 1 106 106 ASP C C 106 172.900 172.900 174.446 -1.546 26059 7134 1 10 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.185 0.325 26059 7135 1 10 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.009 -1.509 26059 7136 1 10 . 1 1 106 106 ASP H H 106 7.730 7.730 8.179 -0.449 26059 7137 1 10 . 1 1 107 107 LEU N N 107 132.150 132.150 127.548 4.602 26059 7138 1 10 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.431 -0.591 26059 7139 1 10 . 1 1 107 107 LEU C C 107 172.100 172.100 174.862 -2.762 26059 7140 1 10 . 1 1 107 107 LEU CA C 107 53.200 53.200 54.284 -1.084 26059 7141 1 10 . 1 1 107 107 LEU CB C 107 39.240 39.240 41.288 -2.048 26059 7142 1 10 . 1 1 107 107 LEU H H 107 7.770 7.770 7.369 0.401 26059 7143 1 10 . 1 1 108 108 PHE N N 108 118.960 118.960 122.105 -3.145 26059 7144 1 10 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.808 -0.118 26059 7145 1 10 . 1 1 108 108 PHE C C 108 174.300 174.300 173.243 1.057 26059 7146 1 10 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.267 -0.577 26059 7147 1 10 . 1 1 108 108 PHE CB C 108 40.290 40.290 41.359 -1.069 26059 7148 1 10 . 1 1 108 108 PHE H H 108 6.060 6.060 7.302 -1.242 26059 7149 1 10 . 1 1 109 109 LEU N N 109 118.900 118.900 118.211 0.689 26059 7150 1 10 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.558 -0.158 26059 7151 1 10 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.507 -1.347 26059 7152 1 10 . 1 1 109 109 LEU CB C 109 43.080 43.080 44.532 -1.452 26059 7153 1 10 . 1 1 109 109 LEU H H 109 8.388 8.388 8.074 0.314 26059 7154 1 10 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.422 0.018 26059 7155 1 10 . 1 1 111 111 LEU C C 111 177.300 177.300 176.935 0.365 26059 7156 1 10 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.332 -1.112 26059 7157 1 10 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.490 1.380 26059 7158 1 10 . 1 1 112 112 GLU N N 112 120.660 120.660 123.401 -2.741 26059 7159 1 10 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.120 0.050 26059 7160 1 10 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.033 0.427 26059 7161 1 10 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.145 0.045 26059 7162 1 10 . 1 1 112 112 GLU H H 112 8.780 8.780 8.896 -0.116 26059 7163 1 10 . 1 1 113 113 GLY C C 113 173.900 173.900 174.053 -0.153 26059 7164 1 10 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.933 0.017 26059 7165 1 10 . 1 1 114 114 HIS N N 114 120.890 120.890 118.871 2.019 26059 7166 1 10 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.934 -0.028 26059 7167 1 10 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.576 1.194 26059 7168 1 10 . 1 1 114 114 HIS CB C 114 30.590 30.590 32.232 -1.642 26059 7169 1 10 . 1 1 114 114 HIS H H 114 7.934 7.934 8.005 -0.071 26059 7170 1 10 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.506 0.294 26059 7171 1 10 . 1 1 115 115 PRO CA C 115 62.090 62.090 62.646 -0.556 26059 7172 1 10 . 1 1 115 115 PRO CB C 115 30.680 30.680 30.989 -0.309 26059 7173 1 10 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.899 -0.689 26059 7174 1 10 . 1 1 116 116 PRO C C 116 176.600 176.600 175.855 0.745 26059 7175 1 10 . 1 1 116 116 PRO CB C 116 32.300 32.300 33.960 -1.660 26059 7176 1 10 . 1 1 117 117 VAL N N 117 127.480 127.480 119.321 8.159 26059 7177 1 10 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.239 -0.449 26059 7178 1 10 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.058 1.642 26059 7179 1 10 . 1 1 117 117 VAL CB C 117 33.200 33.200 33.979 -0.779 26059 7180 1 10 . 1 1 117 117 VAL H H 117 8.890 8.890 8.615 0.275 26059 7181 1 10 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.143 -0.153 26059 7182 1 10 . 1 1 118 118 ASN C C 118 172.700 172.700 173.730 -1.030 26059 7183 1 10 . 1 1 118 118 ASN CA C 118 53.360 53.360 53.080 0.280 26059 7184 1 10 . 1 1 118 118 ASN CB C 118 39.200 39.200 39.877 -0.677 26059 7185 1 10 . 1 1 119 119 HIS N N 119 124.930 124.930 125.990 -1.060 26059 7186 1 10 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.087 -0.267 26059 7187 1 10 . 1 1 119 119 HIS C C 119 173.500 173.500 173.068 0.432 26059 7188 1 10 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.113 1.857 26059 7189 1 10 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.547 0.723 26059 7190 1 10 . 1 1 119 119 HIS H H 119 8.790 8.790 8.493 0.297 26059 7191 1 10 . 1 1 120 120 LEU N N 120 128.280 128.280 124.440 3.840 26059 7192 1 10 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.634 0.316 26059 7193 1 10 . 1 1 120 120 LEU C C 120 174.030 174.030 175.606 -1.576 26059 7194 1 10 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.595 0.405 26059 7195 1 10 . 1 1 120 120 LEU CB C 120 46.600 46.600 45.180 1.420 26059 7196 1 10 . 1 1 120 120 LEU H H 120 7.460 7.460 8.268 -0.808 26059 7197 1 10 . 1 1 121 121 ARG N N 121 128.060 128.060 122.957 5.103 26059 7198 1 10 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.647 -0.007 26059 7199 1 10 . 1 1 121 121 ARG C C 121 173.400 173.400 173.996 -0.596 26059 7200 1 10 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.990 -0.630 26059 7201 1 10 . 1 1 121 121 ARG CB C 121 34.260 34.260 34.418 -0.158 26059 7202 1 10 . 1 1 121 121 ARG H H 121 9.860 9.860 8.617 1.243 26059 7203 1 10 . 1 1 122 122 CYS N N 122 125.290 125.290 123.190 2.100 26059 7204 1 10 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.309 -0.289 26059 7205 1 10 . 1 1 122 122 CYS C C 122 174.600 174.600 173.861 0.739 26059 7206 1 10 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.367 0.923 26059 7207 1 10 . 1 1 122 122 CYS CB C 122 28.030 28.030 30.183 -2.154 26059 7208 1 10 . 1 1 122 122 CYS H H 122 8.835 8.835 8.689 0.146 26059 7209 1 10 . 1 1 123 123 GLU N N 123 125.920 125.920 124.998 0.922 26059 7210 1 10 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.514 0.166 26059 7211 1 10 . 1 1 123 123 GLU C C 123 174.500 174.500 175.028 -0.528 26059 7212 1 10 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.557 -0.137 26059 7213 1 10 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.313 0.270 26059 7214 1 10 . 1 1 123 123 GLU H H 123 8.970 8.970 9.065 -0.095 26059 7215 1 10 . 1 1 124 124 LYS N N 124 121.837 121.837 125.832 -3.995 26059 7216 1 10 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.762 0.198 26059 7217 1 10 . 1 1 124 124 LYS C C 124 175.700 175.700 176.087 -0.387 26059 7218 1 10 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.769 -0.412 26059 7219 1 10 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.539 0.650 26059 7220 1 10 . 1 1 124 124 LYS H H 124 8.652 8.652 8.564 0.088 26059 7221 1 10 . 1 1 125 125 LEU N N 125 127.000 127.000 129.099 -2.099 26059 7222 1 10 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.532 0.118 26059 7223 1 10 . 1 1 125 125 LEU C C 125 175.110 175.110 175.064 0.046 26059 7224 1 10 . 1 1 125 125 LEU CA C 125 53.854 53.854 53.775 0.079 26059 7225 1 10 . 1 1 125 125 LEU CB C 125 44.267 44.267 43.061 1.206 26059 7226 1 10 . 1 1 125 125 LEU H H 125 9.175 9.175 9.069 0.106 26059 7227 1 10 . 1 1 126 126 THR N N 126 117.779 117.779 120.706 -2.927 26059 7228 1 10 . 1 1 126 126 THR HA H 126 4.650 4.650 4.508 0.142 26059 7229 1 10 . 1 1 126 126 THR C C 126 173.200 173.200 173.540 -0.340 26059 7230 1 10 . 1 1 126 126 THR CA C 126 62.036 62.036 62.010 0.026 26059 7231 1 10 . 1 1 126 126 THR CB C 126 70.284 70.284 69.434 0.850 26059 7232 1 10 . 1 1 126 126 THR H H 126 8.331 8.331 8.396 -0.065 26059 7233 1 10 . 1 1 127 127 PHE N N 127 126.576 126.576 127.390 -0.814 26059 7234 1 10 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.720 -0.130 26059 7235 1 10 . 1 1 127 127 PHE C C 127 174.860 174.860 174.081 0.779 26059 7236 1 10 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.655 1.209 26059 7237 1 10 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.520 -1.520 26059 7238 1 10 . 1 1 127 127 PHE H H 127 9.051 9.051 9.140 -0.089 26059 7239 1 10 . 1 1 128 128 ASN N N 128 123.040 123.040 122.691 0.349 26059 7240 1 10 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.631 -0.011 26059 7241 1 10 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.477 1.003 26059 7242 1 10 . 1 1 128 128 ASN CB C 128 39.460 39.460 39.050 0.410 26059 7243 1 10 . 1 1 128 128 ASN H H 128 8.880 8.880 8.764 0.116 26059 7244 1 10 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.695 0.065 26059 7245 1 10 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.221 -0.321 26059 7246 1 10 . 1 1 129 129 ASN CB C 129 38.730 38.730 38.152 0.578 26059 7247 1 10 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.632 0.158 26059 7248 1 10 . 1 1 130 130 PRO C C 130 177.470 177.470 175.980 1.490 26059 7249 1 10 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.583 -0.009 26059 7250 1 10 . 1 1 130 130 PRO CB C 130 32.310 32.310 33.017 -0.707 26059 7251 1 10 . 1 1 131 131 THR N N 131 113.400 113.400 110.051 3.349 26059 7252 1 10 . 1 1 131 131 THR HA H 131 4.300 4.300 4.365 -0.065 26059 7253 1 10 . 1 1 131 131 THR C C 131 175.200 175.200 176.052 -0.852 26059 7254 1 10 . 1 1 131 131 THR CA C 131 62.200 62.200 61.059 1.141 26059 7255 1 10 . 1 1 131 131 THR CB C 131 70.600 70.600 70.086 0.514 26059 7256 1 10 . 1 1 131 131 THR H H 131 8.950 8.950 8.052 0.898 26059 7257 1 10 . 1 1 132 132 GLU N N 132 122.199 122.199 124.670 -2.471 26059 7258 1 10 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.860 0.150 26059 7259 1 10 . 1 1 132 132 GLU C C 132 178.700 178.700 177.966 0.734 26059 7260 1 10 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.645 -0.351 26059 7261 1 10 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.574 -0.413 26059 7262 1 10 . 1 1 132 132 GLU H H 132 8.932 8.932 9.030 -0.098 26059 7263 1 10 . 1 1 133 133 ASP N N 133 116.324 116.324 117.828 -1.504 26059 7264 1 10 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.394 -0.064 26059 7265 1 10 . 1 1 133 133 ASP C C 133 177.800 177.800 178.377 -0.577 26059 7266 1 10 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.834 0.526 26059 7267 1 10 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.840 1.983 26059 7268 1 10 . 1 1 133 133 ASP H H 133 8.490 8.490 8.800 -0.310 26059 7269 1 10 . 1 1 134 134 PHE N N 134 119.914 119.914 122.201 -2.287 26059 7270 1 10 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.232 0.378 26059 7271 1 10 . 1 1 134 134 PHE C C 134 177.300 177.300 177.117 0.183 26059 7272 1 10 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.102 -0.564 26059 7273 1 10 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.387 -0.187 26059 7274 1 10 . 1 1 134 134 PHE H H 134 7.787 7.787 7.849 -0.062 26059 7275 1 10 . 1 1 135 135 ARG N N 135 119.794 119.794 120.627 -0.833 26059 7276 1 10 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.769 -0.419 26059 7277 1 10 . 1 1 135 135 ARG C C 135 177.370 177.370 178.104 -0.734 26059 7278 1 10 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.122 0.254 26059 7279 1 10 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.015 0.381 26059 7280 1 10 . 1 1 135 135 ARG H H 135 9.087 9.087 8.359 0.728 26059 7281 1 10 . 1 1 136 136 ARG N N 136 114.554 114.554 118.566 -4.012 26059 7282 1 10 . 1 1 136 136 ARG HA H 136 3.820 3.820 4.013 -0.193 26059 7283 1 10 . 1 1 136 136 ARG C C 136 178.950 178.950 178.899 0.051 26059 7284 1 10 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.513 -0.213 26059 7285 1 10 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.038 0.179 26059 7286 1 10 . 1 1 136 136 ARG H H 136 7.747 7.747 8.452 -0.705 26059 7287 1 10 . 1 1 137 137 LYS N N 137 118.298 118.298 119.491 -1.193 26059 7288 1 10 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.033 -0.133 26059 7289 1 10 . 1 1 137 137 LYS C C 137 177.980 177.980 178.691 -0.711 26059 7290 1 10 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.428 0.967 26059 7291 1 10 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.353 0.093 26059 7292 1 10 . 1 1 137 137 LYS H H 137 7.154 7.154 7.451 -0.297 26059 7293 1 10 . 1 1 138 138 LEU N N 138 117.159 117.159 119.505 -2.346 26059 7294 1 10 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.736 -0.316 26059 7295 1 10 . 1 1 138 138 LEU C C 138 179.100 179.100 178.718 0.382 26059 7296 1 10 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.346 -0.115 26059 7297 1 10 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.595 0.733 26059 7298 1 10 . 1 1 138 138 LEU H H 138 7.709 7.709 7.889 -0.180 26059 7299 1 10 . 1 1 139 139 LEU N N 139 115.158 115.158 116.537 -1.379 26059 7300 1 10 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.094 0.056 26059 7301 1 10 . 1 1 139 139 LEU C C 139 177.600 177.600 178.621 -1.021 26059 7302 1 10 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.717 -1.188 26059 7303 1 10 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.936 -0.192 26059 7304 1 10 . 1 1 139 139 LEU H H 139 7.507 7.507 8.256 -0.749 26059 7305 1 10 . 1 1 140 140 LYS N N 140 120.256 120.256 119.132 1.124 26059 7306 1 10 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.038 0.072 26059 7307 1 10 . 1 1 140 140 LYS C C 140 175.800 175.800 177.039 -1.239 26059 7308 1 10 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.217 -0.165 26059 7309 1 10 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.728 -0.082 26059 7310 1 10 . 1 1 140 140 LYS H H 140 7.304 7.304 7.552 -0.248 26059 7311 1 11 . 1 1 4 4 MET C C 4 175.800 175.800 174.566 1.234 26059 7312 1 11 . 1 1 4 4 MET CA C 4 55.350 55.350 54.373 0.977 26059 7313 1 11 . 1 1 4 4 MET CB C 4 32.880 32.880 33.509 -0.629 26059 7314 1 11 . 1 1 5 5 ALA N N 5 125.230 125.230 126.402 -1.172 26059 7315 1 11 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.757 -0.407 26059 7316 1 11 . 1 1 5 5 ALA CA C 5 52.430 52.430 51.336 1.094 26059 7317 1 11 . 1 1 5 5 ALA CB C 5 19.370 19.370 20.412 -1.042 26059 7318 1 11 . 1 1 5 5 ALA H H 5 8.320 8.320 8.340 -0.020 26059 7319 1 11 . 1 1 6 6 SER HA H 6 4.490 4.490 4.395 0.095 26059 7320 1 11 . 1 1 6 6 SER CA C 6 58.200 58.200 58.040 0.160 26059 7321 1 11 . 1 1 6 6 SER CB C 6 63.700 63.700 62.455 1.245 26059 7322 1 11 . 1 1 7 7 SER HA H 7 4.530 4.530 4.844 -0.314 26059 7323 1 11 . 1 1 7 7 SER CA C 7 58.200 58.200 57.777 0.423 26059 7324 1 11 . 1 1 7 7 SER CB C 7 63.700 63.700 63.484 0.216 26059 7325 1 11 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.744 -0.134 26059 7326 1 11 . 1 1 8 8 CYS C C 8 173.500 173.500 173.205 0.295 26059 7327 1 11 . 1 1 8 8 CYS CA C 8 58.340 58.340 57.976 0.364 26059 7328 1 11 . 1 1 8 8 CYS CB C 8 28.490 28.490 31.460 -2.970 26059 7329 1 11 . 1 1 9 9 ALA N N 9 124.700 124.700 125.987 -1.287 26059 7330 1 11 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.099 -0.309 26059 7331 1 11 . 1 1 9 9 ALA C C 9 177.400 177.400 176.257 1.143 26059 7332 1 11 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.509 1.561 26059 7333 1 11 . 1 1 9 9 ALA CB C 9 20.629 20.629 21.370 -0.741 26059 7334 1 11 . 1 1 9 9 ALA H H 9 7.960 7.960 8.325 -0.365 26059 7335 1 11 . 1 1 10 10 VAL N N 10 120.124 120.124 120.583 -0.459 26059 7336 1 11 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.335 -0.045 26059 7337 1 11 . 1 1 10 10 VAL C C 10 173.900 173.900 174.901 -1.001 26059 7338 1 11 . 1 1 10 10 VAL CA C 10 61.550 61.550 60.921 0.629 26059 7339 1 11 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.778 1.122 26059 7340 1 11 . 1 1 10 10 VAL H H 10 8.424 8.424 8.904 -0.480 26059 7341 1 11 . 1 1 11 11 GLN N N 11 125.818 125.818 124.440 1.378 26059 7342 1 11 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.146 0.414 26059 7343 1 11 . 1 1 11 11 GLN C C 11 175.400 175.400 174.847 0.553 26059 7344 1 11 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.174 -0.051 26059 7345 1 11 . 1 1 11 11 GLN CB C 11 32.029 32.029 31.331 0.698 26059 7346 1 11 . 1 1 11 11 GLN H H 11 8.636 8.636 8.473 0.163 26059 7347 1 11 . 1 1 12 12 VAL N N 12 119.106 119.106 119.038 0.068 26059 7348 1 11 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.414 0.216 26059 7349 1 11 . 1 1 12 12 VAL C C 12 173.800 173.800 174.873 -1.073 26059 7350 1 11 . 1 1 12 12 VAL CA C 12 59.800 59.800 60.538 -0.738 26059 7351 1 11 . 1 1 12 12 VAL CB C 12 35.711 35.711 34.176 1.534 26059 7352 1 11 . 1 1 12 12 VAL H H 12 8.827 8.827 8.550 0.277 26059 7353 1 11 . 1 1 13 13 LYS N N 13 121.700 121.700 127.099 -5.399 26059 7354 1 11 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.187 0.013 26059 7355 1 11 . 1 1 13 13 LYS C C 13 175.030 175.030 175.824 -0.794 26059 7356 1 11 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.476 -0.046 26059 7357 1 11 . 1 1 13 13 LYS CB C 13 35.920 35.920 33.887 2.033 26059 7358 1 11 . 1 1 13 13 LYS H H 13 8.234 8.234 8.590 -0.356 26059 7359 1 11 . 1 1 14 14 LEU N N 14 119.100 119.100 124.169 -5.069 26059 7360 1 11 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.255 -0.305 26059 7361 1 11 . 1 1 14 14 LEU C C 14 175.110 175.110 175.715 -0.605 26059 7362 1 11 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.276 0.081 26059 7363 1 11 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.247 1.674 26059 7364 1 11 . 1 1 14 14 LEU H H 14 8.840 8.840 9.151 -0.311 26059 7365 1 11 . 1 1 15 15 GLU N N 15 120.978 120.978 123.434 -2.456 26059 7366 1 11 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.010 -0.020 26059 7367 1 11 . 1 1 15 15 GLU C C 15 173.800 173.800 174.736 -0.936 26059 7368 1 11 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.588 0.840 26059 7369 1 11 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.425 -0.599 26059 7370 1 11 . 1 1 15 15 GLU H H 15 9.181 9.181 9.222 -0.041 26059 7371 1 11 . 1 1 16 16 LEU N N 16 124.438 124.438 127.284 -2.846 26059 7372 1 11 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.370 -0.260 26059 7373 1 11 . 1 1 16 16 LEU C C 16 174.700 174.700 175.840 -1.140 26059 7374 1 11 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.778 0.298 26059 7375 1 11 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.987 2.905 26059 7376 1 11 . 1 1 16 16 LEU H H 16 8.891 8.891 8.372 0.519 26059 7377 1 11 . 1 1 17 17 GLY N N 17 108.067 108.067 109.898 -1.831 26059 7378 1 11 . 1 1 17 17 GLY C C 17 170.350 170.350 171.450 -1.100 26059 7379 1 11 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.845 2.139 26059 7380 1 11 . 1 1 17 17 GLY H H 17 7.227 7.227 8.637 -1.410 26059 7381 1 11 . 1 1 18 18 HIS N N 18 111.200 111.200 116.959 -5.759 26059 7382 1 11 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.200 0.420 26059 7383 1 11 . 1 1 18 18 HIS C C 18 172.400 172.400 172.596 -0.196 26059 7384 1 11 . 1 1 18 18 HIS CA C 18 54.940 54.940 55.016 -0.076 26059 7385 1 11 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.599 1.562 26059 7386 1 11 . 1 1 18 18 HIS H H 18 8.150 8.150 8.506 -0.356 26059 7387 1 11 . 1 1 19 19 ARG N N 19 117.800 117.800 120.587 -2.787 26059 7388 1 11 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.163 -0.063 26059 7389 1 11 . 1 1 19 19 ARG C C 19 175.800 175.800 174.338 1.462 26059 7390 1 11 . 1 1 19 19 ARG CA C 19 53.500 53.500 53.972 -0.472 26059 7391 1 11 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.772 -0.122 26059 7392 1 11 . 1 1 19 19 ARG H H 19 9.010 9.010 8.272 0.738 26059 7393 1 11 . 1 1 20 20 ALA N N 20 120.390 120.390 123.305 -2.915 26059 7394 1 11 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.476 0.064 26059 7395 1 11 . 1 1 20 20 ALA C C 20 175.800 175.800 175.092 0.708 26059 7396 1 11 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.775 0.815 26059 7397 1 11 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.836 0.914 26059 7398 1 11 . 1 1 20 20 ALA H H 20 8.070 8.070 8.558 -0.488 26059 7399 1 11 . 1 1 21 21 GLN N N 21 121.790 121.790 121.874 -0.084 26059 7400 1 11 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.242 -0.012 26059 7401 1 11 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.413 0.917 26059 7402 1 11 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.918 -0.018 26059 7403 1 11 . 1 1 21 21 GLN H H 21 9.240 9.240 8.986 0.254 26059 7404 1 11 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.354 -0.724 26059 7405 1 11 . 1 1 22 22 VAL C C 22 176.500 176.500 175.372 1.128 26059 7406 1 11 . 1 1 22 22 VAL CA C 22 63.030 63.030 59.882 3.148 26059 7407 1 11 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.134 -2.534 26059 7408 1 11 . 1 1 23 23 ARG N N 23 127.840 127.840 124.298 3.542 26059 7409 1 11 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.598 -0.468 26059 7410 1 11 . 1 1 23 23 ARG CA C 23 56.200 56.200 55.059 1.141 26059 7411 1 11 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.071 1.079 26059 7412 1 11 . 1 1 23 23 ARG H H 23 8.720 8.720 8.747 -0.027 26059 7413 1 11 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.136 -0.096 26059 7414 1 11 . 1 1 24 24 LYS C C 24 176.960 176.960 176.316 0.644 26059 7415 1 11 . 1 1 24 24 LYS CA C 24 58.800 58.800 58.100 0.700 26059 7416 1 11 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.720 -0.660 26059 7417 1 11 . 1 1 25 25 LYS N N 25 115.870 115.870 119.030 -3.160 26059 7418 1 11 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.746 0.084 26059 7419 1 11 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.419 -0.459 26059 7420 1 11 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.654 1.426 26059 7421 1 11 . 1 1 25 25 LYS H H 25 7.720 7.720 7.657 0.063 26059 7422 1 11 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.508 0.322 26059 7423 1 11 . 1 1 26 26 PRO C C 26 177.400 177.400 177.127 0.273 26059 7424 1 11 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.203 -0.553 26059 7425 1 11 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.164 0.226 26059 7426 1 11 . 1 1 27 27 THR N N 27 111.270 111.270 115.334 -4.064 26059 7427 1 11 . 1 1 27 27 THR HA H 27 4.530 4.530 4.244 0.286 26059 7428 1 11 . 1 1 27 27 THR C C 27 177.300 177.300 176.925 0.375 26059 7429 1 11 . 1 1 27 27 THR CA C 27 61.300 61.300 61.359 -0.060 26059 7430 1 11 . 1 1 27 27 THR CB C 27 71.460 71.460 69.835 1.625 26059 7431 1 11 . 1 1 27 27 THR H H 27 8.380 8.380 8.509 -0.129 26059 7432 1 11 . 1 1 28 28 VAL N N 28 121.170 121.170 117.679 3.491 26059 7433 1 11 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.908 -0.025 26059 7434 1 11 . 1 1 28 28 VAL C C 28 177.030 177.030 176.070 0.960 26059 7435 1 11 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.773 0.427 26059 7436 1 11 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.666 -0.266 26059 7437 1 11 . 1 1 28 28 VAL H H 28 8.910 8.910 8.486 0.424 26059 7438 1 11 . 1 1 29 29 GLU N N 29 116.800 116.800 119.892 -3.092 26059 7439 1 11 . 1 1 29 29 GLU HA H 29 3.920 3.920 3.996 -0.076 26059 7440 1 11 . 1 1 29 29 GLU C C 29 176.200 176.200 176.435 -0.235 26059 7441 1 11 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.772 1.478 26059 7442 1 11 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.249 -0.079 26059 7443 1 11 . 1 1 29 29 GLU H H 29 7.990 7.990 7.866 0.124 26059 7444 1 11 . 1 1 30 30 GLY N N 30 105.500 105.500 107.212 -1.712 26059 7445 1 11 . 1 1 30 30 GLY C C 30 174.900 174.900 173.864 1.036 26059 7446 1 11 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.079 -0.619 26059 7447 1 11 . 1 1 30 30 GLY H H 30 7.950 7.950 7.461 0.489 26059 7448 1 11 . 1 1 31 31 PHE N N 31 119.300 119.300 118.569 0.731 26059 7449 1 11 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.901 -0.141 26059 7450 1 11 . 1 1 31 31 PHE C C 31 176.400 176.400 176.416 -0.016 26059 7451 1 11 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.841 1.059 26059 7452 1 11 . 1 1 31 31 PHE CB C 31 35.500 35.500 40.354 -4.854 26059 7453 1 11 . 1 1 31 31 PHE H H 31 7.520 7.520 7.313 0.207 26059 7454 1 11 . 1 1 32 32 THR N N 32 112.300 112.300 115.213 -2.913 26059 7455 1 11 . 1 1 32 32 THR HA H 32 4.330 4.330 4.392 -0.062 26059 7456 1 11 . 1 1 32 32 THR C C 32 175.200 175.200 174.529 0.671 26059 7457 1 11 . 1 1 32 32 THR CA C 32 62.780 62.780 63.167 -0.387 26059 7458 1 11 . 1 1 32 32 THR CB C 32 70.350 70.350 69.620 0.730 26059 7459 1 11 . 1 1 32 32 THR H H 32 7.770 7.770 8.803 -1.033 26059 7460 1 11 . 1 1 33 33 HIS N N 33 121.900 121.900 120.920 0.980 26059 7461 1 11 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.389 0.111 26059 7462 1 11 . 1 1 33 33 HIS C C 33 173.880 173.880 173.985 -0.105 26059 7463 1 11 . 1 1 33 33 HIS CA C 33 56.780 56.780 56.600 0.180 26059 7464 1 11 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.219 2.421 26059 7465 1 11 . 1 1 33 33 HIS H H 33 9.110 9.110 8.755 0.355 26059 7466 1 11 . 1 1 34 34 ASP N N 34 120.300 120.300 121.143 -0.843 26059 7467 1 11 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.656 -0.256 26059 7468 1 11 . 1 1 34 34 ASP C C 34 175.100 175.100 174.710 0.390 26059 7469 1 11 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.616 -0.306 26059 7470 1 11 . 1 1 34 34 ASP CB C 34 43.000 43.000 44.392 -1.392 26059 7471 1 11 . 1 1 34 34 ASP H H 34 8.810 8.810 9.022 -0.212 26059 7472 1 11 . 1 1 35 35 TRP N N 35 119.800 119.800 121.100 -1.300 26059 7473 1 11 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.627 0.103 26059 7474 1 11 . 1 1 35 35 TRP C C 35 174.900 174.900 173.383 1.517 26059 7475 1 11 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.867 0.033 26059 7476 1 11 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.930 1.740 26059 7477 1 11 . 1 1 35 35 TRP H H 35 9.250 9.250 8.968 0.282 26059 7478 1 11 . 1 1 36 36 MET N N 36 120.980 120.980 123.721 -2.741 26059 7479 1 11 . 1 1 36 36 MET HA H 36 5.750 5.750 5.800 -0.050 26059 7480 1 11 . 1 1 36 36 MET C C 36 173.700 173.700 174.775 -1.075 26059 7481 1 11 . 1 1 36 36 MET CA C 36 54.830 54.830 53.790 1.040 26059 7482 1 11 . 1 1 36 36 MET CB C 36 35.220 35.220 35.939 -0.719 26059 7483 1 11 . 1 1 36 36 MET H H 36 9.080 9.080 8.577 0.503 26059 7484 1 11 . 1 1 37 37 VAL N N 37 126.220 126.220 121.994 4.226 26059 7485 1 11 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.199 0.111 26059 7486 1 11 . 1 1 37 37 VAL C C 37 172.300 172.300 174.579 -2.279 26059 7487 1 11 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.594 -1.054 26059 7488 1 11 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.231 1.839 26059 7489 1 11 . 1 1 37 37 VAL H H 37 9.080 9.080 9.000 0.080 26059 7490 1 11 . 1 1 38 38 PHE N N 38 120.640 120.640 118.560 2.080 26059 7491 1 11 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.030 -0.060 26059 7492 1 11 . 1 1 38 38 PHE C C 38 172.960 172.960 173.599 -0.639 26059 7493 1 11 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.416 0.714 26059 7494 1 11 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.570 0.430 26059 7495 1 11 . 1 1 38 38 PHE H H 38 8.320 8.320 8.685 -0.365 26059 7496 1 11 . 1 1 39 39 VAL N N 39 116.500 116.500 117.534 -1.034 26059 7497 1 11 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.880 -0.870 26059 7498 1 11 . 1 1 39 39 VAL C C 39 174.700 174.700 174.859 -0.159 26059 7499 1 11 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.022 1.618 26059 7500 1 11 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.230 0.171 26059 7501 1 11 . 1 1 39 39 VAL H H 39 8.580 8.580 9.078 -0.498 26059 7502 1 11 . 1 1 40 40 ARG N N 40 124.100 124.100 124.070 0.030 26059 7503 1 11 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.185 -0.105 26059 7504 1 11 . 1 1 40 40 ARG C C 40 173.800 173.800 175.649 -1.849 26059 7505 1 11 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.618 0.682 26059 7506 1 11 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.457 -0.877 26059 7507 1 11 . 1 1 40 40 ARG H H 40 9.880 9.880 8.804 1.076 26059 7508 1 11 . 1 1 41 41 GLY N N 41 107.640 107.640 108.065 -0.425 26059 7509 1 11 . 1 1 41 41 GLY CA C 41 43.970 43.970 43.058 0.912 26059 7510 1 11 . 1 1 41 41 GLY H H 41 8.910 8.910 8.019 0.891 26059 7511 1 11 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.405 0.085 26059 7512 1 11 . 1 1 42 42 PRO C C 42 177.300 177.300 175.870 1.430 26059 7513 1 11 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.453 -1.012 26059 7514 1 11 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.256 0.855 26059 7515 1 11 . 1 1 43 43 GLU N N 43 121.050 121.050 121.483 -0.433 26059 7516 1 11 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.894 -0.104 26059 7517 1 11 . 1 1 43 43 GLU C C 43 176.110 176.110 175.363 0.747 26059 7518 1 11 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.590 0.260 26059 7519 1 11 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.047 0.803 26059 7520 1 11 . 1 1 43 43 GLU H H 43 9.060 9.060 8.967 0.093 26059 7521 1 11 . 1 1 44 44 HIS N N 44 114.100 114.100 110.765 3.335 26059 7522 1 11 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.027 0.324 26059 7523 1 11 . 1 1 44 44 HIS C C 44 175.170 175.170 174.968 0.202 26059 7524 1 11 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.692 -0.042 26059 7525 1 11 . 1 1 44 44 HIS CB C 44 28.370 28.370 28.691 -0.321 26059 7526 1 11 . 1 1 44 44 HIS H H 44 8.420 8.420 8.294 0.126 26059 7527 1 11 . 1 1 45 45 SER N N 45 115.540 115.540 115.898 -0.358 26059 7528 1 11 . 1 1 45 45 SER HA H 45 4.560 4.560 4.340 0.220 26059 7529 1 11 . 1 1 45 45 SER C C 45 173.700 173.700 174.229 -0.529 26059 7530 1 11 . 1 1 45 45 SER CA C 45 58.710 58.710 59.721 -1.011 26059 7531 1 11 . 1 1 45 45 SER CB C 45 64.500 64.500 63.807 0.693 26059 7532 1 11 . 1 1 45 45 SER H H 45 7.870 7.870 7.535 0.335 26059 7533 1 11 . 1 1 46 46 ASN N N 46 123.900 123.900 123.165 0.735 26059 7534 1 11 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.664 0.456 26059 7535 1 11 . 1 1 46 46 ASN C C 46 176.300 176.300 175.613 0.687 26059 7536 1 11 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.673 -0.983 26059 7537 1 11 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.416 -0.686 26059 7538 1 11 . 1 1 46 46 ASN H H 46 9.480 9.480 8.893 0.587 26059 7539 1 11 . 1 1 47 47 ILE N N 47 115.240 115.240 119.429 -4.189 26059 7540 1 11 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.139 -0.199 26059 7541 1 11 . 1 1 47 47 ILE C C 47 176.000 176.000 176.536 -0.536 26059 7542 1 11 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.387 1.813 26059 7543 1 11 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.268 -0.568 26059 7544 1 11 . 1 1 47 47 ILE H H 47 8.170 8.170 8.521 -0.351 26059 7545 1 11 . 1 1 48 48 GLN N N 48 123.200 123.200 120.035 3.165 26059 7546 1 11 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.272 0.008 26059 7547 1 11 . 1 1 48 48 GLN C C 48 175.670 175.670 176.846 -1.176 26059 7548 1 11 . 1 1 48 48 GLN CA C 48 57.900 57.900 57.531 0.369 26059 7549 1 11 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.720 -0.730 26059 7550 1 11 . 1 1 48 48 GLN H H 48 8.850 8.850 7.878 0.972 26059 7551 1 11 . 1 1 49 49 HIS N N 49 115.400 115.400 117.933 -2.533 26059 7552 1 11 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.415 0.155 26059 7553 1 11 . 1 1 49 49 HIS C C 49 176.380 176.380 176.728 -0.348 26059 7554 1 11 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.109 -0.359 26059 7555 1 11 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.468 1.152 26059 7556 1 11 . 1 1 49 49 HIS H H 49 7.400 7.400 7.915 -0.515 26059 7557 1 11 . 1 1 50 50 PHE N N 50 109.800 109.800 112.358 -2.558 26059 7558 1 11 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.890 0.340 26059 7559 1 11 . 1 1 50 50 PHE C C 50 173.800 173.800 174.564 -0.764 26059 7560 1 11 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.173 -0.513 26059 7561 1 11 . 1 1 50 50 PHE CB C 50 41.000 41.000 40.208 0.792 26059 7562 1 11 . 1 1 50 50 PHE H H 50 7.570 7.570 7.617 -0.047 26059 7563 1 11 . 1 1 51 51 VAL N N 51 127.810 127.810 121.617 6.193 26059 7564 1 11 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.600 -0.230 26059 7565 1 11 . 1 1 51 51 VAL C C 51 174.500 174.500 175.655 -1.155 26059 7566 1 11 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.815 0.185 26059 7567 1 11 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.673 0.607 26059 7568 1 11 . 1 1 51 51 VAL H H 51 7.810 7.810 8.103 -0.293 26059 7569 1 11 . 1 1 52 52 GLU N N 52 130.700 130.700 129.077 1.623 26059 7570 1 11 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.413 -0.433 26059 7571 1 11 . 1 1 52 52 GLU C C 52 175.400 175.400 175.730 -0.330 26059 7572 1 11 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.611 0.389 26059 7573 1 11 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.704 -0.124 26059 7574 1 11 . 1 1 52 52 GLU H H 52 9.380 9.380 9.112 0.268 26059 7575 1 11 . 1 1 53 53 LYS N N 53 109.200 109.200 117.767 -8.567 26059 7576 1 11 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.712 0.088 26059 7577 1 11 . 1 1 53 53 LYS C C 53 172.300 172.300 173.916 -1.616 26059 7578 1 11 . 1 1 53 53 LYS CA C 53 54.840 54.840 55.298 -0.458 26059 7579 1 11 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.806 -1.556 26059 7580 1 11 . 1 1 53 53 LYS H H 53 7.190 7.190 7.531 -0.341 26059 7581 1 11 . 1 1 54 54 VAL N N 54 120.380 120.380 120.579 -0.199 26059 7582 1 11 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.764 0.006 26059 7583 1 11 . 1 1 54 54 VAL C C 54 173.600 173.600 173.749 -0.149 26059 7584 1 11 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.281 0.759 26059 7585 1 11 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.740 -1.040 26059 7586 1 11 . 1 1 54 54 VAL H H 54 8.450 8.450 8.174 0.276 26059 7587 1 11 . 1 1 55 55 VAL N N 55 126.920 126.920 121.514 5.406 26059 7588 1 11 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.238 -0.538 26059 7589 1 11 . 1 1 55 55 VAL C C 55 173.800 173.800 173.399 0.401 26059 7590 1 11 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.462 1.408 26059 7591 1 11 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.818 -1.718 26059 7592 1 11 . 1 1 55 55 VAL H H 55 9.260 9.260 8.510 0.750 26059 7593 1 11 . 1 1 56 56 PHE N N 56 126.130 126.130 127.279 -1.149 26059 7594 1 11 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.874 -0.152 26059 7595 1 11 . 1 1 56 56 PHE C C 56 174.000 174.000 174.956 -0.956 26059 7596 1 11 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.108 0.472 26059 7597 1 11 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.548 0.342 26059 7598 1 11 . 1 1 56 56 PHE H H 56 9.290 9.290 8.993 0.297 26059 7599 1 11 . 1 1 57 57 HIS N N 57 124.180 124.180 125.392 -1.212 26059 7600 1 11 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.827 -0.027 26059 7601 1 11 . 1 1 57 57 HIS C C 57 174.700 174.700 175.003 -0.303 26059 7602 1 11 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.883 -1.563 26059 7603 1 11 . 1 1 57 57 HIS CB C 57 30.100 30.100 27.992 2.108 26059 7604 1 11 . 1 1 57 57 HIS H H 57 8.690 8.690 8.327 0.363 26059 7605 1 11 . 1 1 58 58 LEU N N 58 122.050 122.050 124.368 -2.318 26059 7606 1 11 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.513 -0.203 26059 7607 1 11 . 1 1 58 58 LEU C C 58 174.400 174.400 176.927 -2.527 26059 7608 1 11 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.436 0.974 26059 7609 1 11 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.661 -1.501 26059 7610 1 11 . 1 1 58 58 LEU H H 58 9.050 9.050 8.659 0.391 26059 7611 1 11 . 1 1 59 59 HIS N N 59 118.510 118.510 117.996 0.514 26059 7612 1 11 . 1 1 59 59 HIS C C 59 175.300 175.300 176.816 -1.516 26059 7613 1 11 . 1 1 59 59 HIS CA C 59 59.110 59.110 56.009 3.101 26059 7614 1 11 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.020 -0.090 26059 7615 1 11 . 1 1 59 59 HIS H H 59 5.160 5.160 7.990 -2.830 26059 7616 1 11 . 1 1 60 60 GLU N N 60 122.190 122.190 126.102 -3.912 26059 7617 1 11 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.118 -0.158 26059 7618 1 11 . 1 1 60 60 GLU C C 60 175.130 175.130 176.960 -1.830 26059 7619 1 11 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.118 -0.108 26059 7620 1 11 . 1 1 60 60 GLU CB C 60 28.820 28.820 29.221 -0.401 26059 7621 1 11 . 1 1 60 60 GLU H H 60 7.960 7.960 8.675 -0.715 26059 7622 1 11 . 1 1 61 61 SER N N 61 116.940 116.940 113.253 3.687 26059 7623 1 11 . 1 1 61 61 SER HA H 61 4.200 4.200 4.394 -0.194 26059 7624 1 11 . 1 1 61 61 SER CA C 61 60.010 60.010 60.113 -0.103 26059 7625 1 11 . 1 1 61 61 SER CB C 61 63.140 63.140 63.464 -0.324 26059 7626 1 11 . 1 1 61 61 SER H H 61 8.540 8.540 8.514 0.026 26059 7627 1 11 . 1 1 62 62 PHE N N 62 123.700 123.700 122.942 0.758 26059 7628 1 11 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.796 -0.206 26059 7629 1 11 . 1 1 62 62 PHE CA C 62 57.400 57.400 56.031 1.369 26059 7630 1 11 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.110 -0.710 26059 7631 1 11 . 1 1 62 62 PHE H H 62 8.640 8.640 8.228 0.412 26059 7632 1 11 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.438 -0.028 26059 7633 1 11 . 1 1 63 63 PRO C C 63 176.400 176.400 176.309 0.091 26059 7634 1 11 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.480 -0.880 26059 7635 1 11 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.090 -0.230 26059 7636 1 11 . 1 1 64 64 ARG N N 64 116.840 116.840 121.848 -5.008 26059 7637 1 11 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.191 -0.091 26059 7638 1 11 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.091 -0.481 26059 7639 1 11 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.368 0.462 26059 7640 1 11 . 1 1 64 64 ARG H H 64 8.890 8.890 8.526 0.364 26059 7641 1 11 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.408 -0.418 26059 7642 1 11 . 1 1 65 65 PRO C C 65 175.800 175.800 176.736 -0.936 26059 7643 1 11 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.461 1.349 26059 7644 1 11 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.357 -0.477 26059 7645 1 11 . 1 1 66 66 LYS N N 66 119.035 119.035 120.273 -1.238 26059 7646 1 11 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.425 0.185 26059 7647 1 11 . 1 1 66 66 LYS C C 66 175.400 175.400 175.755 -0.355 26059 7648 1 11 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.441 0.012 26059 7649 1 11 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.435 -0.705 26059 7650 1 11 . 1 1 66 66 LYS H H 66 7.630 7.630 8.015 -0.385 26059 7651 1 11 . 1 1 67 67 ARG N N 67 127.394 127.394 128.420 -1.026 26059 7652 1 11 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.593 0.147 26059 7653 1 11 . 1 1 67 67 ARG C C 67 174.500 174.500 175.168 -0.668 26059 7654 1 11 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.877 -0.077 26059 7655 1 11 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.158 0.556 26059 7656 1 11 . 1 1 67 67 ARG H H 67 8.855 8.855 8.707 0.148 26059 7657 1 11 . 1 1 68 68 VAL N N 68 124.388 124.388 121.612 2.776 26059 7658 1 11 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.197 -0.617 26059 7659 1 11 . 1 1 68 68 VAL C C 68 176.850 176.850 175.921 0.929 26059 7660 1 11 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.581 1.492 26059 7661 1 11 . 1 1 68 68 VAL CB C 68 33.604 33.604 32.761 0.843 26059 7662 1 11 . 1 1 68 68 VAL H H 68 8.681 8.681 7.899 0.782 26059 7663 1 11 . 1 1 69 69 CYS N N 69 127.080 127.080 128.566 -1.486 26059 7664 1 11 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.868 0.202 26059 7665 1 11 . 1 1 69 69 CYS CA C 69 58.346 58.346 57.760 0.586 26059 7666 1 11 . 1 1 69 69 CYS CB C 69 30.170 30.170 28.976 1.194 26059 7667 1 11 . 1 1 69 69 CYS H H 69 9.455 9.455 9.099 0.356 26059 7668 1 11 . 1 1 70 70 LYS N N 70 125.480 125.480 124.432 1.048 26059 7669 1 11 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.526 -0.036 26059 7670 1 11 . 1 1 70 70 LYS C C 70 174.300 174.300 176.571 -2.271 26059 7671 1 11 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.512 -0.152 26059 7672 1 11 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.318 -0.148 26059 7673 1 11 . 1 1 70 70 LYS H H 70 9.050 9.050 8.622 0.428 26059 7674 1 11 . 1 1 71 71 ASP N N 71 116.940 116.940 121.520 -4.580 26059 7675 1 11 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.672 0.428 26059 7676 1 11 . 1 1 71 71 ASP CA C 71 51.080 51.080 52.925 -1.845 26059 7677 1 11 . 1 1 71 71 ASP CB C 71 43.380 43.380 41.404 1.976 26059 7678 1 11 . 1 1 71 71 ASP H H 71 7.620 7.620 8.100 -0.480 26059 7679 1 11 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.174 -0.914 26059 7680 1 11 . 1 1 72 72 PRO CA C 72 60.650 60.650 63.050 -2.400 26059 7681 1 11 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.750 -0.709 26059 7682 1 11 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.957 0.143 26059 7683 1 11 . 1 1 73 73 PRO C C 73 174.700 174.700 176.353 -1.653 26059 7684 1 11 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.785 -2.095 26059 7685 1 11 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.563 2.477 26059 7686 1 11 . 1 1 74 74 TYR N N 74 125.400 125.400 124.967 0.433 26059 7687 1 11 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.406 0.444 26059 7688 1 11 . 1 1 74 74 TYR C C 74 172.900 172.900 175.424 -2.524 26059 7689 1 11 . 1 1 74 74 TYR CA C 74 55.670 55.670 59.024 -3.354 26059 7690 1 11 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.837 -1.437 26059 7691 1 11 . 1 1 74 74 TYR H H 74 8.960 8.960 8.288 0.672 26059 7692 1 11 . 1 1 75 75 LYS N N 75 121.400 121.400 119.831 1.569 26059 7693 1 11 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.499 0.091 26059 7694 1 11 . 1 1 75 75 LYS C C 75 173.800 173.800 174.798 -0.998 26059 7695 1 11 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.318 0.332 26059 7696 1 11 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.191 -1.301 26059 7697 1 11 . 1 1 75 75 LYS H H 75 7.670 7.670 7.968 -0.298 26059 7698 1 11 . 1 1 76 76 VAL N N 76 119.800 119.800 122.233 -2.433 26059 7699 1 11 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.277 -0.387 26059 7700 1 11 . 1 1 76 76 VAL C C 76 173.900 173.900 174.384 -0.484 26059 7701 1 11 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.437 1.294 26059 7702 1 11 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.273 0.267 26059 7703 1 11 . 1 1 76 76 VAL H H 76 8.180 8.180 8.571 -0.391 26059 7704 1 11 . 1 1 77 77 GLU N N 77 126.190 126.190 126.084 0.106 26059 7705 1 11 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.101 -0.151 26059 7706 1 11 . 1 1 77 77 GLU C C 77 174.700 174.700 175.034 -0.334 26059 7707 1 11 . 1 1 77 77 GLU CA C 77 54.940 54.940 55.006 -0.066 26059 7708 1 11 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.764 -0.214 26059 7709 1 11 . 1 1 77 77 GLU H H 77 8.270 8.270 8.632 -0.362 26059 7710 1 11 . 1 1 78 78 GLU N N 78 126.180 126.180 124.498 1.682 26059 7711 1 11 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.582 -0.132 26059 7712 1 11 . 1 1 78 78 GLU C C 78 175.400 175.400 173.950 1.450 26059 7713 1 11 . 1 1 78 78 GLU CA C 78 54.000 54.000 53.806 0.194 26059 7714 1 11 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.346 3.754 26059 7715 1 11 . 1 1 78 78 GLU H H 78 7.870 7.870 8.143 -0.273 26059 7716 1 11 . 1 1 79 79 SER N N 79 112.109 112.109 114.623 -2.514 26059 7717 1 11 . 1 1 79 79 SER HA H 79 5.560 5.560 5.538 0.022 26059 7718 1 11 . 1 1 79 79 SER C C 79 172.490 172.490 174.512 -2.022 26059 7719 1 11 . 1 1 79 79 SER CA C 79 57.754 57.754 56.107 1.647 26059 7720 1 11 . 1 1 79 79 SER CB C 79 65.861 65.861 65.050 0.811 26059 7721 1 11 . 1 1 79 79 SER H H 79 7.714 7.714 8.491 -0.777 26059 7722 1 11 . 1 1 80 80 GLY N N 80 106.048 106.048 111.815 -5.767 26059 7723 1 11 . 1 1 80 80 GLY C C 80 172.630 172.630 172.109 0.521 26059 7724 1 11 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.414 0.286 26059 7725 1 11 . 1 1 80 80 GLY H H 80 8.828 8.828 9.038 -0.210 26059 7726 1 11 . 1 1 81 81 TYR N N 81 115.280 115.280 115.981 -0.701 26059 7727 1 11 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.253 0.427 26059 7728 1 11 . 1 1 81 81 TYR C C 81 174.100 174.100 174.044 0.056 26059 7729 1 11 . 1 1 81 81 TYR CA C 81 55.500 55.500 56.679 -1.179 26059 7730 1 11 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.153 0.847 26059 7731 1 11 . 1 1 81 81 TYR H H 81 8.770 8.770 8.003 0.767 26059 7732 1 11 . 1 1 82 82 ALA N N 82 122.350 122.350 121.926 0.424 26059 7733 1 11 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.442 -0.002 26059 7734 1 11 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.725 -0.685 26059 7735 1 11 . 1 1 82 82 ALA CB C 82 22.400 22.400 20.469 1.931 26059 7736 1 11 . 1 1 82 82 ALA H H 82 7.160 7.160 7.055 0.105 26059 7737 1 11 . 1 1 83 83 GLY N N 83 107.100 107.100 108.906 -1.806 26059 7738 1 11 . 1 1 83 83 GLY C C 83 172.500 172.500 173.763 -1.263 26059 7739 1 11 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.801 -0.191 26059 7740 1 11 . 1 1 83 83 GLY H H 83 8.220 8.220 8.316 -0.096 26059 7741 1 11 . 1 1 84 84 PHE N N 84 111.660 111.660 114.721 -3.061 26059 7742 1 11 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.653 0.037 26059 7743 1 11 . 1 1 84 84 PHE C C 84 172.460 172.460 173.541 -1.081 26059 7744 1 11 . 1 1 84 84 PHE CA C 84 56.500 56.500 56.465 0.035 26059 7745 1 11 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.841 -1.261 26059 7746 1 11 . 1 1 84 84 PHE H H 84 7.700 7.700 8.561 -0.861 26059 7747 1 11 . 1 1 85 85 ILE N N 85 117.810 117.810 121.638 -3.828 26059 7748 1 11 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.017 0.293 26059 7749 1 11 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.700 -1.360 26059 7750 1 11 . 1 1 85 85 ILE CB C 85 35.260 35.260 37.223 -1.963 26059 7751 1 11 . 1 1 85 85 ILE H H 85 8.340 8.340 8.500 -0.160 26059 7752 1 11 . 1 1 86 86 LEU N N 86 108.130 108.130 129.126 -20.996 26059 7753 1 11 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.987 -0.007 26059 7754 1 11 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.991 2.209 26059 7755 1 11 . 1 1 86 86 LEU CB C 86 45.300 45.300 45.269 0.031 26059 7756 1 11 . 1 1 86 86 LEU H H 86 9.900 9.900 8.740 1.160 26059 7757 1 11 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.585 0.515 26059 7758 1 11 . 1 1 87 87 PRO C C 87 175.340 175.340 175.788 -0.448 26059 7759 1 11 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.170 -0.060 26059 7760 1 11 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.209 0.351 26059 7761 1 11 . 1 1 88 88 ILE N N 88 126.000 126.000 126.856 -0.856 26059 7762 1 11 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.516 0.274 26059 7763 1 11 . 1 1 88 88 ILE C C 88 176.100 176.100 175.052 1.048 26059 7764 1 11 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.354 0.206 26059 7765 1 11 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.709 2.291 26059 7766 1 11 . 1 1 88 88 ILE H H 88 9.380 9.380 8.865 0.515 26059 7767 1 11 . 1 1 89 89 GLU N N 89 123.900 123.900 127.995 -4.095 26059 7768 1 11 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.172 0.028 26059 7769 1 11 . 1 1 89 89 GLU C C 89 173.800 173.800 175.364 -1.564 26059 7770 1 11 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.343 -0.373 26059 7771 1 11 . 1 1 89 89 GLU CB C 89 34.380 34.380 32.025 2.355 26059 7772 1 11 . 1 1 89 89 GLU H H 89 9.320 9.320 8.441 0.878 26059 7773 1 11 . 1 1 90 90 VAL N N 90 123.980 123.980 124.248 -0.268 26059 7774 1 11 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.882 0.278 26059 7775 1 11 . 1 1 90 90 VAL C C 90 174.800 174.800 174.444 0.356 26059 7776 1 11 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.697 -0.307 26059 7777 1 11 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.713 -0.223 26059 7778 1 11 . 1 1 90 90 VAL H H 90 8.630 8.630 8.026 0.604 26059 7779 1 11 . 1 1 91 91 TYR N N 91 124.230 124.230 126.420 -2.190 26059 7780 1 11 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.782 -0.122 26059 7781 1 11 . 1 1 91 91 TYR C C 91 176.800 176.800 175.628 1.172 26059 7782 1 11 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.282 -0.582 26059 7783 1 11 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.726 0.514 26059 7784 1 11 . 1 1 91 91 TYR H H 91 8.640 8.640 8.992 -0.352 26059 7785 1 11 . 1 1 92 92 PHE N N 92 121.200 121.200 121.821 -0.621 26059 7786 1 11 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.300 0.360 26059 7787 1 11 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.216 1.294 26059 7788 1 11 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.671 -0.671 26059 7789 1 11 . 1 1 92 92 PHE H H 92 8.750 8.750 9.103 -0.353 26059 7790 1 11 . 1 1 93 93 LYS N N 93 123.450 123.450 123.105 0.345 26059 7791 1 11 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.532 0.068 26059 7792 1 11 . 1 1 93 93 LYS C C 93 174.200 174.200 175.552 -1.352 26059 7793 1 11 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.883 -0.703 26059 7794 1 11 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.718 -0.038 26059 7795 1 11 . 1 1 93 93 LYS H H 93 8.560 8.560 8.843 -0.283 26059 7796 1 11 . 1 1 94 94 ASN N N 94 118.800 118.800 122.927 -4.127 26059 7797 1 11 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.822 -0.382 26059 7798 1 11 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.404 -1.194 26059 7799 1 11 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.347 -1.547 26059 7800 1 11 . 1 1 94 94 ASN H H 94 7.820 7.820 8.138 -0.318 26059 7801 1 11 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.375 -0.045 26059 7802 1 11 . 1 1 95 95 LYS C C 95 175.800 175.800 175.256 0.544 26059 7803 1 11 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.258 -0.048 26059 7804 1 11 . 1 1 95 95 LYS CB C 95 33.010 33.010 33.126 -0.116 26059 7805 1 11 . 1 1 96 96 GLU N N 96 118.330 118.330 120.857 -2.527 26059 7806 1 11 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.357 0.153 26059 7807 1 11 . 1 1 96 96 GLU C C 96 173.200 173.200 176.027 -2.827 26059 7808 1 11 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.722 -0.622 26059 7809 1 11 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.247 1.223 26059 7810 1 11 . 1 1 96 96 GLU H H 96 7.120 7.120 7.742 -0.622 26059 7811 1 11 . 1 1 97 97 GLU N N 97 115.630 115.630 120.513 -4.883 26059 7812 1 11 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.111 0.319 26059 7813 1 11 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.965 -2.105 26059 7814 1 11 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.740 0.530 26059 7815 1 11 . 1 1 97 97 GLU H H 97 8.060 8.060 8.365 -0.305 26059 7816 1 11 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.243 0.757 26059 7817 1 11 . 1 1 98 98 PRO C C 98 175.900 175.900 176.785 -0.885 26059 7818 1 11 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.199 -2.039 26059 7819 1 11 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.947 2.053 26059 7820 1 11 . 1 1 99 99 ARG N N 99 122.800 122.800 120.497 2.303 26059 7821 1 11 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.480 0.150 26059 7822 1 11 . 1 1 99 99 ARG C C 99 175.800 175.800 175.626 0.174 26059 7823 1 11 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.793 0.407 26059 7824 1 11 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.424 -0.014 26059 7825 1 11 . 1 1 99 99 ARG H H 99 8.602 8.602 8.666 -0.064 26059 7826 1 11 . 1 1 100 100 LYS N N 100 113.220 113.220 116.206 -2.986 26059 7827 1 11 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.920 0.020 26059 7828 1 11 . 1 1 100 100 LYS C C 100 174.100 174.100 174.589 -0.489 26059 7829 1 11 . 1 1 100 100 LYS CA C 100 53.391 53.391 54.107 -0.716 26059 7830 1 11 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.664 -0.944 26059 7831 1 11 . 1 1 100 100 LYS H H 100 7.650 7.650 7.325 0.325 26059 7832 1 11 . 1 1 101 101 VAL N N 101 116.230 116.230 117.035 -0.805 26059 7833 1 11 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.421 -0.151 26059 7834 1 11 . 1 1 101 101 VAL C C 101 171.600 171.600 173.299 -1.699 26059 7835 1 11 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.235 1.025 26059 7836 1 11 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.646 -0.466 26059 7837 1 11 . 1 1 101 101 VAL H H 101 8.120 8.120 8.134 -0.014 26059 7838 1 11 . 1 1 102 102 ARG N N 102 124.980 124.980 123.896 1.084 26059 7839 1 11 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.849 0.311 26059 7840 1 11 . 1 1 102 102 ARG C C 102 174.340 174.340 174.896 -0.556 26059 7841 1 11 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.798 -1.048 26059 7842 1 11 . 1 1 102 102 ARG CB C 102 33.350 33.350 32.053 1.297 26059 7843 1 11 . 1 1 102 102 ARG H H 102 7.930 7.930 8.058 -0.128 26059 7844 1 11 . 1 1 103 103 PHE N N 103 124.590 124.590 126.846 -2.256 26059 7845 1 11 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.786 0.006 26059 7846 1 11 . 1 1 103 103 PHE C C 103 174.280 174.280 174.467 -0.187 26059 7847 1 11 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.931 0.549 26059 7848 1 11 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.597 1.653 26059 7849 1 11 . 1 1 103 103 PHE H H 103 9.390 9.390 9.150 0.240 26059 7850 1 11 . 1 1 104 104 ASP N N 104 124.700 124.700 126.341 -1.641 26059 7851 1 11 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.653 0.146 26059 7852 1 11 . 1 1 104 104 ASP C C 104 174.500 174.500 174.840 -0.340 26059 7853 1 11 . 1 1 104 104 ASP CA C 104 54.390 54.390 54.931 -0.541 26059 7854 1 11 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.676 -0.446 26059 7855 1 11 . 1 1 104 104 ASP H H 104 9.010 9.010 9.030 -0.020 26059 7856 1 11 . 1 1 105 105 TYR N N 105 129.840 129.840 126.605 3.235 26059 7857 1 11 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.684 -0.614 26059 7858 1 11 . 1 1 105 105 TYR C C 105 173.100 173.100 173.174 -0.074 26059 7859 1 11 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.605 2.075 26059 7860 1 11 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.313 -0.463 26059 7861 1 11 . 1 1 105 105 TYR H H 105 8.140 8.140 8.456 -0.316 26059 7862 1 11 . 1 1 106 106 ASP N N 106 126.800 126.800 127.087 -0.287 26059 7863 1 11 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.355 -0.135 26059 7864 1 11 . 1 1 106 106 ASP C C 106 172.900 172.900 174.121 -1.221 26059 7865 1 11 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.691 -0.180 26059 7866 1 11 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.760 -2.260 26059 7867 1 11 . 1 1 106 106 ASP H H 106 7.730 7.730 8.197 -0.467 26059 7868 1 11 . 1 1 107 107 LEU N N 107 132.150 132.150 127.986 4.164 26059 7869 1 11 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.499 -0.659 26059 7870 1 11 . 1 1 107 107 LEU C C 107 172.100 172.100 174.558 -2.458 26059 7871 1 11 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.742 -0.542 26059 7872 1 11 . 1 1 107 107 LEU CB C 107 39.240 39.240 41.121 -1.881 26059 7873 1 11 . 1 1 107 107 LEU H H 107 7.770 7.770 7.675 0.095 26059 7874 1 11 . 1 1 108 108 PHE N N 108 118.960 118.960 121.025 -2.065 26059 7875 1 11 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.931 -0.241 26059 7876 1 11 . 1 1 108 108 PHE C C 108 174.300 174.300 173.600 0.700 26059 7877 1 11 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.235 -0.545 26059 7878 1 11 . 1 1 108 108 PHE CB C 108 40.290 40.290 41.227 -0.937 26059 7879 1 11 . 1 1 108 108 PHE H H 108 6.060 6.060 7.214 -1.154 26059 7880 1 11 . 1 1 109 109 LEU N N 109 118.900 118.900 119.597 -0.697 26059 7881 1 11 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.750 -0.350 26059 7882 1 11 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.410 -1.250 26059 7883 1 11 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.313 -2.233 26059 7884 1 11 . 1 1 109 109 LEU H H 109 8.388 8.388 8.233 0.155 26059 7885 1 11 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.482 -0.042 26059 7886 1 11 . 1 1 111 111 LEU C C 111 177.300 177.300 176.854 0.446 26059 7887 1 11 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.050 -0.830 26059 7888 1 11 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.570 1.300 26059 7889 1 11 . 1 1 112 112 GLU N N 112 120.660 120.660 125.399 -4.739 26059 7890 1 11 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.049 0.121 26059 7891 1 11 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.444 0.016 26059 7892 1 11 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.913 -0.723 26059 7893 1 11 . 1 1 112 112 GLU H H 112 8.780 8.780 8.935 -0.155 26059 7894 1 11 . 1 1 113 113 GLY C C 113 173.900 173.900 174.087 -0.187 26059 7895 1 11 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.879 0.071 26059 7896 1 11 . 1 1 114 114 HIS N N 114 120.890 120.890 121.445 -0.555 26059 7897 1 11 . 1 1 114 114 HIS HA H 114 4.906 4.906 5.013 -0.107 26059 7898 1 11 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.847 0.923 26059 7899 1 11 . 1 1 114 114 HIS CB C 114 30.590 30.590 31.302 -0.712 26059 7900 1 11 . 1 1 114 114 HIS H H 114 7.934 7.934 7.975 -0.041 26059 7901 1 11 . 1 1 115 115 PRO HA H 115 4.800 4.800 5.131 -0.331 26059 7902 1 11 . 1 1 115 115 PRO CA C 115 62.090 62.090 60.870 1.220 26059 7903 1 11 . 1 1 115 115 PRO CB C 115 30.680 30.680 32.071 -1.391 26059 7904 1 11 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.542 -0.332 26059 7905 1 11 . 1 1 116 116 PRO C C 116 176.600 176.600 175.625 0.975 26059 7906 1 11 . 1 1 116 116 PRO CB C 116 32.300 32.300 31.938 0.362 26059 7907 1 11 . 1 1 117 117 VAL N N 117 127.480 127.480 125.686 1.794 26059 7908 1 11 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.249 -0.459 26059 7909 1 11 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.944 0.756 26059 7910 1 11 . 1 1 117 117 VAL CB C 117 33.200 33.200 32.931 0.269 26059 7911 1 11 . 1 1 117 117 VAL H H 117 8.890 8.890 7.852 1.038 26059 7912 1 11 . 1 1 118 118 ASN HA H 118 4.990 4.990 4.907 0.083 26059 7913 1 11 . 1 1 118 118 ASN C C 118 172.700 172.700 173.858 -1.158 26059 7914 1 11 . 1 1 118 118 ASN CA C 118 53.360 53.360 52.855 0.505 26059 7915 1 11 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.072 -0.872 26059 7916 1 11 . 1 1 119 119 HIS N N 119 124.930 124.930 126.934 -2.004 26059 7917 1 11 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.079 -0.259 26059 7918 1 11 . 1 1 119 119 HIS C C 119 173.500 173.500 172.824 0.676 26059 7919 1 11 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.632 1.338 26059 7920 1 11 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.653 0.617 26059 7921 1 11 . 1 1 119 119 HIS H H 119 8.790 8.790 8.343 0.447 26059 7922 1 11 . 1 1 120 120 LEU N N 120 128.280 128.280 124.937 3.343 26059 7923 1 11 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.772 0.178 26059 7924 1 11 . 1 1 120 120 LEU C C 120 174.030 174.030 174.808 -0.778 26059 7925 1 11 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.753 0.247 26059 7926 1 11 . 1 1 120 120 LEU CB C 120 46.600 46.600 45.972 0.628 26059 7927 1 11 . 1 1 120 120 LEU H H 120 7.460 7.460 8.118 -0.658 26059 7928 1 11 . 1 1 121 121 ARG N N 121 128.060 128.060 123.192 4.868 26059 7929 1 11 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.614 0.026 26059 7930 1 11 . 1 1 121 121 ARG C C 121 173.400 173.400 173.806 -0.406 26059 7931 1 11 . 1 1 121 121 ARG CA C 121 54.360 54.360 55.566 -1.206 26059 7932 1 11 . 1 1 121 121 ARG CB C 121 34.260 34.260 34.291 -0.031 26059 7933 1 11 . 1 1 121 121 ARG H H 121 9.860 9.860 8.608 1.252 26059 7934 1 11 . 1 1 122 122 CYS N N 122 125.290 125.290 123.356 1.934 26059 7935 1 11 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.297 -0.277 26059 7936 1 11 . 1 1 122 122 CYS C C 122 174.600 174.600 173.927 0.673 26059 7937 1 11 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.244 1.046 26059 7938 1 11 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.649 -1.619 26059 7939 1 11 . 1 1 122 122 CYS H H 122 8.835 8.835 8.680 0.155 26059 7940 1 11 . 1 1 123 123 GLU N N 123 125.920 125.920 124.384 1.536 26059 7941 1 11 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.527 0.153 26059 7942 1 11 . 1 1 123 123 GLU C C 123 174.500 174.500 174.801 -0.301 26059 7943 1 11 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.567 -0.147 26059 7944 1 11 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.492 0.091 26059 7945 1 11 . 1 1 123 123 GLU H H 123 8.970 8.970 8.958 0.012 26059 7946 1 11 . 1 1 124 124 LYS N N 124 121.837 121.837 124.466 -2.629 26059 7947 1 11 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.561 0.399 26059 7948 1 11 . 1 1 124 124 LYS C C 124 175.700 175.700 176.064 -0.364 26059 7949 1 11 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.446 -0.089 26059 7950 1 11 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.379 0.810 26059 7951 1 11 . 1 1 124 124 LYS H H 124 8.652 8.652 8.428 0.224 26059 7952 1 11 . 1 1 125 125 LEU N N 125 127.000 127.000 128.439 -1.439 26059 7953 1 11 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.477 0.173 26059 7954 1 11 . 1 1 125 125 LEU C C 125 175.110 175.110 175.807 -0.697 26059 7955 1 11 . 1 1 125 125 LEU CA C 125 53.854 53.854 54.773 -0.919 26059 7956 1 11 . 1 1 125 125 LEU CB C 125 44.267 44.267 43.095 1.172 26059 7957 1 11 . 1 1 125 125 LEU H H 125 9.175 9.175 9.198 -0.023 26059 7958 1 11 . 1 1 126 126 THR N N 126 117.779 117.779 116.286 1.493 26059 7959 1 11 . 1 1 126 126 THR HA H 126 4.650 4.650 4.704 -0.054 26059 7960 1 11 . 1 1 126 126 THR C C 126 173.200 173.200 173.385 -0.185 26059 7961 1 11 . 1 1 126 126 THR CA C 126 62.036 62.036 61.577 0.459 26059 7962 1 11 . 1 1 126 126 THR CB C 126 70.284 70.284 70.745 -0.461 26059 7963 1 11 . 1 1 126 126 THR H H 126 8.331 8.331 7.981 0.350 26059 7964 1 11 . 1 1 127 127 PHE N N 127 126.576 126.576 126.177 0.399 26059 7965 1 11 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.762 -0.172 26059 7966 1 11 . 1 1 127 127 PHE C C 127 174.860 174.860 174.486 0.374 26059 7967 1 11 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.529 1.335 26059 7968 1 11 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.490 -1.490 26059 7969 1 11 . 1 1 127 127 PHE H H 127 9.051 9.051 9.122 -0.071 26059 7970 1 11 . 1 1 128 128 ASN N N 128 123.040 123.040 122.298 0.742 26059 7971 1 11 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.783 -0.163 26059 7972 1 11 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.178 1.302 26059 7973 1 11 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.763 0.697 26059 7974 1 11 . 1 1 128 128 ASN H H 128 8.880 8.880 8.902 -0.022 26059 7975 1 11 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.562 0.198 26059 7976 1 11 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.752 -0.852 26059 7977 1 11 . 1 1 129 129 ASN CB C 129 38.730 38.730 37.232 1.498 26059 7978 1 11 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.653 0.137 26059 7979 1 11 . 1 1 130 130 PRO C C 130 177.470 177.470 176.689 0.781 26059 7980 1 11 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.503 0.071 26059 7981 1 11 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.874 -0.564 26059 7982 1 11 . 1 1 131 131 THR N N 131 113.400 113.400 111.123 2.277 26059 7983 1 11 . 1 1 131 131 THR HA H 131 4.300 4.300 4.332 -0.032 26059 7984 1 11 . 1 1 131 131 THR C C 131 175.200 175.200 175.987 -0.787 26059 7985 1 11 . 1 1 131 131 THR CA C 131 62.200 62.200 61.507 0.693 26059 7986 1 11 . 1 1 131 131 THR CB C 131 70.600 70.600 69.462 1.138 26059 7987 1 11 . 1 1 131 131 THR H H 131 8.950 8.950 8.218 0.732 26059 7988 1 11 . 1 1 132 132 GLU N N 132 122.199 122.199 124.765 -2.566 26059 7989 1 11 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.960 0.050 26059 7990 1 11 . 1 1 132 132 GLU C C 132 178.700 178.700 177.931 0.769 26059 7991 1 11 . 1 1 132 132 GLU CA C 132 60.294 60.294 59.837 0.457 26059 7992 1 11 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.666 -0.505 26059 7993 1 11 . 1 1 132 132 GLU H H 132 8.932 8.932 9.120 -0.188 26059 7994 1 11 . 1 1 133 133 ASP N N 133 116.324 116.324 118.250 -1.926 26059 7995 1 11 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.432 -0.102 26059 7996 1 11 . 1 1 133 133 ASP C C 133 177.800 177.800 178.135 -0.335 26059 7997 1 11 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.633 0.727 26059 7998 1 11 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.850 1.972 26059 7999 1 11 . 1 1 133 133 ASP H H 133 8.490 8.490 8.775 -0.285 26059 8000 1 11 . 1 1 134 134 PHE N N 134 119.914 119.914 122.559 -2.645 26059 8001 1 11 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.215 0.395 26059 8002 1 11 . 1 1 134 134 PHE C C 134 177.300 177.300 177.065 0.235 26059 8003 1 11 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.415 -0.877 26059 8004 1 11 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.452 -0.252 26059 8005 1 11 . 1 1 134 134 PHE H H 134 7.787 7.787 7.823 -0.036 26059 8006 1 11 . 1 1 135 135 ARG N N 135 119.794 119.794 120.349 -0.555 26059 8007 1 11 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.772 -0.422 26059 8008 1 11 . 1 1 135 135 ARG C C 135 177.370 177.370 178.113 -0.743 26059 8009 1 11 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.026 0.349 26059 8010 1 11 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.046 0.350 26059 8011 1 11 . 1 1 135 135 ARG H H 135 9.087 9.087 8.434 0.653 26059 8012 1 11 . 1 1 136 136 ARG N N 136 114.554 114.554 118.738 -4.184 26059 8013 1 11 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.981 -0.161 26059 8014 1 11 . 1 1 136 136 ARG C C 136 178.950 178.950 178.591 0.359 26059 8015 1 11 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.520 -0.220 26059 8016 1 11 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.009 0.208 26059 8017 1 11 . 1 1 136 136 ARG H H 136 7.747 7.747 8.120 -0.373 26059 8018 1 11 . 1 1 137 137 LYS N N 137 118.298 118.298 118.992 -0.694 26059 8019 1 11 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.017 -0.117 26059 8020 1 11 . 1 1 137 137 LYS C C 137 177.980 177.980 178.843 -0.863 26059 8021 1 11 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.459 0.936 26059 8022 1 11 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.287 0.160 26059 8023 1 11 . 1 1 137 137 LYS H H 137 7.154 7.154 7.424 -0.270 26059 8024 1 11 . 1 1 138 138 LEU N N 138 117.159 117.159 118.901 -1.742 26059 8025 1 11 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.787 -0.367 26059 8026 1 11 . 1 1 138 138 LEU C C 138 179.100 179.100 178.439 0.661 26059 8027 1 11 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.148 0.083 26059 8028 1 11 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.565 0.763 26059 8029 1 11 . 1 1 138 138 LEU H H 138 7.709 7.709 7.842 -0.133 26059 8030 1 11 . 1 1 139 139 LEU N N 139 115.158 115.158 116.322 -1.164 26059 8031 1 11 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.193 -0.043 26059 8032 1 11 . 1 1 139 139 LEU C C 139 177.600 177.600 178.539 -0.939 26059 8033 1 11 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.410 -0.881 26059 8034 1 11 . 1 1 139 139 LEU CB C 139 41.744 41.744 42.057 -0.313 26059 8035 1 11 . 1 1 139 139 LEU H H 139 7.507 7.507 8.084 -0.577 26059 8036 1 11 . 1 1 140 140 LYS N N 140 120.256 120.256 119.688 0.568 26059 8037 1 11 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.073 0.037 26059 8038 1 11 . 1 1 140 140 LYS C C 140 175.800 175.800 177.344 -1.544 26059 8039 1 11 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.170 -0.118 26059 8040 1 11 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.764 -0.118 26059 8041 1 11 . 1 1 140 140 LYS H H 140 7.304 7.304 7.605 -0.301 26059 8042 1 12 . 1 1 4 4 MET C C 4 175.800 175.800 174.552 1.248 26059 8043 1 12 . 1 1 4 4 MET CA C 4 55.350 55.350 54.958 0.392 26059 8044 1 12 . 1 1 4 4 MET CB C 4 32.880 32.880 32.223 0.657 26059 8045 1 12 . 1 1 5 5 ALA N N 5 125.230 125.230 126.708 -1.478 26059 8046 1 12 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.426 -0.076 26059 8047 1 12 . 1 1 5 5 ALA CA C 5 52.430 52.430 51.821 0.609 26059 8048 1 12 . 1 1 5 5 ALA CB C 5 19.370 19.370 20.166 -0.796 26059 8049 1 12 . 1 1 5 5 ALA H H 5 8.320 8.320 8.096 0.224 26059 8050 1 12 . 1 1 6 6 SER HA H 6 4.490 4.490 4.394 0.096 26059 8051 1 12 . 1 1 6 6 SER CA C 6 58.200 58.200 57.748 0.452 26059 8052 1 12 . 1 1 6 6 SER CB C 6 63.700 63.700 62.045 1.655 26059 8053 1 12 . 1 1 7 7 SER HA H 7 4.530 4.530 4.864 -0.334 26059 8054 1 12 . 1 1 7 7 SER CA C 7 58.200 58.200 58.318 -0.118 26059 8055 1 12 . 1 1 7 7 SER CB C 7 63.700 63.700 63.551 0.149 26059 8056 1 12 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.625 -0.015 26059 8057 1 12 . 1 1 8 8 CYS C C 8 173.500 173.500 173.351 0.149 26059 8058 1 12 . 1 1 8 8 CYS CA C 8 58.340 58.340 58.064 0.276 26059 8059 1 12 . 1 1 8 8 CYS CB C 8 28.490 28.490 29.385 -0.895 26059 8060 1 12 . 1 1 9 9 ALA N N 9 124.700 124.700 128.519 -3.819 26059 8061 1 12 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.165 -0.375 26059 8062 1 12 . 1 1 9 9 ALA C C 9 177.400 177.400 176.544 0.856 26059 8063 1 12 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.864 1.206 26059 8064 1 12 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.330 0.299 26059 8065 1 12 . 1 1 9 9 ALA H H 9 7.960 7.960 8.480 -0.520 26059 8066 1 12 . 1 1 10 10 VAL N N 10 120.124 120.124 123.230 -3.106 26059 8067 1 12 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.246 0.044 26059 8068 1 12 . 1 1 10 10 VAL C C 10 173.900 173.900 174.948 -1.048 26059 8069 1 12 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.160 0.390 26059 8070 1 12 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.316 1.583 26059 8071 1 12 . 1 1 10 10 VAL H H 10 8.424 8.424 8.432 -0.008 26059 8072 1 12 . 1 1 11 11 GLN N N 11 125.818 125.818 124.399 1.419 26059 8073 1 12 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.352 0.208 26059 8074 1 12 . 1 1 11 11 GLN C C 11 175.400 175.400 175.429 -0.029 26059 8075 1 12 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.312 -0.189 26059 8076 1 12 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.618 1.411 26059 8077 1 12 . 1 1 11 11 GLN H H 11 8.636 8.636 8.411 0.225 26059 8078 1 12 . 1 1 12 12 VAL N N 12 119.106 119.106 118.432 0.674 26059 8079 1 12 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.344 0.286 26059 8080 1 12 . 1 1 12 12 VAL C C 12 173.800 173.800 174.719 -0.919 26059 8081 1 12 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.496 0.304 26059 8082 1 12 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.669 2.042 26059 8083 1 12 . 1 1 12 12 VAL H H 12 8.827 8.827 8.573 0.254 26059 8084 1 12 . 1 1 13 13 LYS N N 13 121.700 121.700 120.208 1.492 26059 8085 1 12 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.359 -0.159 26059 8086 1 12 . 1 1 13 13 LYS C C 13 175.030 175.030 175.366 -0.336 26059 8087 1 12 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.411 0.019 26059 8088 1 12 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.955 -0.035 26059 8089 1 12 . 1 1 13 13 LYS H H 13 8.234 8.234 8.320 -0.086 26059 8090 1 12 . 1 1 14 14 LEU N N 14 119.100 119.100 122.869 -3.769 26059 8091 1 12 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.269 -0.319 26059 8092 1 12 . 1 1 14 14 LEU C C 14 175.110 175.110 175.328 -0.218 26059 8093 1 12 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.246 0.111 26059 8094 1 12 . 1 1 14 14 LEU CB C 14 46.921 46.921 46.177 0.744 26059 8095 1 12 . 1 1 14 14 LEU H H 14 8.840 8.840 9.096 -0.256 26059 8096 1 12 . 1 1 15 15 GLU N N 15 120.978 120.978 123.527 -2.549 26059 8097 1 12 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.227 -0.237 26059 8098 1 12 . 1 1 15 15 GLU C C 15 173.800 173.800 174.874 -1.074 26059 8099 1 12 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.412 1.016 26059 8100 1 12 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.283 -0.457 26059 8101 1 12 . 1 1 15 15 GLU H H 15 9.181 9.181 9.224 -0.043 26059 8102 1 12 . 1 1 16 16 LEU N N 16 124.438 124.438 127.735 -3.297 26059 8103 1 12 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.291 -0.181 26059 8104 1 12 . 1 1 16 16 LEU C C 16 174.700 174.700 176.209 -1.509 26059 8105 1 12 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.853 0.223 26059 8106 1 12 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.084 3.808 26059 8107 1 12 . 1 1 16 16 LEU H H 16 8.891 8.891 8.359 0.532 26059 8108 1 12 . 1 1 17 17 GLY N N 17 108.067 108.067 111.178 -3.111 26059 8109 1 12 . 1 1 17 17 GLY C C 17 170.350 170.350 171.723 -1.373 26059 8110 1 12 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.716 2.268 26059 8111 1 12 . 1 1 17 17 GLY H H 17 7.227 7.227 8.777 -1.550 26059 8112 1 12 . 1 1 18 18 HIS N N 18 111.200 111.200 116.783 -5.583 26059 8113 1 12 . 1 1 18 18 HIS HA H 18 5.620 5.620 4.925 0.695 26059 8114 1 12 . 1 1 18 18 HIS C C 18 172.400 172.400 172.512 -0.112 26059 8115 1 12 . 1 1 18 18 HIS CA C 18 54.940 54.940 55.019 -0.079 26059 8116 1 12 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.473 1.687 26059 8117 1 12 . 1 1 18 18 HIS H H 18 8.150 8.150 8.583 -0.433 26059 8118 1 12 . 1 1 19 19 ARG N N 19 117.800 117.800 120.598 -2.798 26059 8119 1 12 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.325 -0.225 26059 8120 1 12 . 1 1 19 19 ARG C C 19 175.800 175.800 174.406 1.394 26059 8121 1 12 . 1 1 19 19 ARG CA C 19 53.500 53.500 53.975 -0.475 26059 8122 1 12 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.342 0.308 26059 8123 1 12 . 1 1 19 19 ARG H H 19 9.010 9.010 8.655 0.355 26059 8124 1 12 . 1 1 20 20 ALA N N 20 120.390 120.390 125.163 -4.773 26059 8125 1 12 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.326 0.214 26059 8126 1 12 . 1 1 20 20 ALA C C 20 175.800 175.800 175.498 0.302 26059 8127 1 12 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.778 0.812 26059 8128 1 12 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.394 1.356 26059 8129 1 12 . 1 1 20 20 ALA H H 20 8.070 8.070 8.661 -0.591 26059 8130 1 12 . 1 1 21 21 GLN N N 21 121.790 121.790 123.255 -1.465 26059 8131 1 12 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.258 -0.028 26059 8132 1 12 . 1 1 21 21 GLN CA C 21 54.330 54.330 54.072 0.258 26059 8133 1 12 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.633 0.267 26059 8134 1 12 . 1 1 21 21 GLN H H 21 9.240 9.240 8.981 0.259 26059 8135 1 12 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.252 -0.622 26059 8136 1 12 . 1 1 22 22 VAL C C 22 176.500 176.500 175.614 0.886 26059 8137 1 12 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.082 2.948 26059 8138 1 12 . 1 1 22 22 VAL CB C 22 31.600 31.600 33.934 -2.334 26059 8139 1 12 . 1 1 23 23 ARG N N 23 127.840 127.840 125.384 2.456 26059 8140 1 12 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.654 -0.524 26059 8141 1 12 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.919 1.281 26059 8142 1 12 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.240 0.910 26059 8143 1 12 . 1 1 23 23 ARG H H 23 8.720 8.720 8.666 0.054 26059 8144 1 12 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.192 -0.152 26059 8145 1 12 . 1 1 24 24 LYS C C 24 176.960 176.960 177.241 -0.281 26059 8146 1 12 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.765 1.035 26059 8147 1 12 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.713 -0.653 26059 8148 1 12 . 1 1 25 25 LYS N N 25 115.870 115.870 120.512 -4.642 26059 8149 1 12 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.695 0.135 26059 8150 1 12 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.247 -0.287 26059 8151 1 12 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.563 1.517 26059 8152 1 12 . 1 1 25 25 LYS H H 25 7.720 7.720 7.677 0.043 26059 8153 1 12 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.506 0.324 26059 8154 1 12 . 1 1 26 26 PRO C C 26 177.400 177.400 176.890 0.510 26059 8155 1 12 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.197 -0.547 26059 8156 1 12 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.212 0.177 26059 8157 1 12 . 1 1 27 27 THR N N 27 111.270 111.270 114.711 -3.441 26059 8158 1 12 . 1 1 27 27 THR HA H 27 4.530 4.530 4.252 0.278 26059 8159 1 12 . 1 1 27 27 THR C C 27 177.300 177.300 176.970 0.330 26059 8160 1 12 . 1 1 27 27 THR CA C 27 61.300 61.300 61.450 -0.150 26059 8161 1 12 . 1 1 27 27 THR CB C 27 71.460 71.460 69.989 1.471 26059 8162 1 12 . 1 1 27 27 THR H H 27 8.380 8.380 8.281 0.099 26059 8163 1 12 . 1 1 28 28 VAL N N 28 121.170 121.170 119.039 2.131 26059 8164 1 12 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.996 -0.113 26059 8165 1 12 . 1 1 28 28 VAL C C 28 177.030 177.030 175.875 1.155 26059 8166 1 12 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.699 0.501 26059 8167 1 12 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.640 -0.240 26059 8168 1 12 . 1 1 28 28 VAL H H 28 8.910 8.910 8.521 0.389 26059 8169 1 12 . 1 1 29 29 GLU N N 29 116.800 116.800 120.819 -4.019 26059 8170 1 12 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.069 -0.149 26059 8171 1 12 . 1 1 29 29 GLU C C 29 176.200 176.200 176.490 -0.290 26059 8172 1 12 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.515 1.735 26059 8173 1 12 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.404 -0.234 26059 8174 1 12 . 1 1 29 29 GLU H H 29 7.990 7.990 7.949 0.041 26059 8175 1 12 . 1 1 30 30 GLY N N 30 105.500 105.500 107.017 -1.517 26059 8176 1 12 . 1 1 30 30 GLY C C 30 174.900 174.900 173.835 1.065 26059 8177 1 12 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.404 -0.944 26059 8178 1 12 . 1 1 30 30 GLY H H 30 7.950 7.950 7.797 0.153 26059 8179 1 12 . 1 1 31 31 PHE N N 31 119.300 119.300 118.843 0.457 26059 8180 1 12 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.857 -0.097 26059 8181 1 12 . 1 1 31 31 PHE C C 31 176.400 176.400 176.349 0.051 26059 8182 1 12 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.423 1.477 26059 8183 1 12 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.474 -3.974 26059 8184 1 12 . 1 1 31 31 PHE H H 31 7.520 7.520 7.475 0.045 26059 8185 1 12 . 1 1 32 32 THR N N 32 112.300 112.300 116.406 -4.106 26059 8186 1 12 . 1 1 32 32 THR HA H 32 4.330 4.330 4.305 0.025 26059 8187 1 12 . 1 1 32 32 THR C C 32 175.200 175.200 173.991 1.209 26059 8188 1 12 . 1 1 32 32 THR CA C 32 62.780 62.780 63.175 -0.395 26059 8189 1 12 . 1 1 32 32 THR CB C 32 70.350 70.350 69.352 0.998 26059 8190 1 12 . 1 1 32 32 THR H H 32 7.770 7.770 8.892 -1.122 26059 8191 1 12 . 1 1 33 33 HIS N N 33 121.900 121.900 120.317 1.583 26059 8192 1 12 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.366 0.134 26059 8193 1 12 . 1 1 33 33 HIS C C 33 173.880 173.880 173.492 0.388 26059 8194 1 12 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.776 1.004 26059 8195 1 12 . 1 1 33 33 HIS CB C 33 35.640 35.640 34.066 1.574 26059 8196 1 12 . 1 1 33 33 HIS H H 33 9.110 9.110 8.616 0.494 26059 8197 1 12 . 1 1 34 34 ASP N N 34 120.300 120.300 122.334 -2.034 26059 8198 1 12 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.479 -0.079 26059 8199 1 12 . 1 1 34 34 ASP C C 34 175.100 175.100 174.987 0.113 26059 8200 1 12 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.783 -0.473 26059 8201 1 12 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.757 -0.757 26059 8202 1 12 . 1 1 34 34 ASP H H 34 8.810 8.810 8.900 -0.090 26059 8203 1 12 . 1 1 35 35 TRP N N 35 119.800 119.800 122.435 -2.635 26059 8204 1 12 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.723 0.007 26059 8205 1 12 . 1 1 35 35 TRP C C 35 174.900 174.900 173.475 1.425 26059 8206 1 12 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.459 0.441 26059 8207 1 12 . 1 1 35 35 TRP CB C 35 34.670 34.670 33.112 1.558 26059 8208 1 12 . 1 1 35 35 TRP H H 35 9.250 9.250 8.920 0.330 26059 8209 1 12 . 1 1 36 36 MET N N 36 120.980 120.980 122.406 -1.426 26059 8210 1 12 . 1 1 36 36 MET HA H 36 5.750 5.750 6.016 -0.266 26059 8211 1 12 . 1 1 36 36 MET C C 36 173.700 173.700 174.336 -0.636 26059 8212 1 12 . 1 1 36 36 MET CA C 36 54.830 54.830 53.045 1.785 26059 8213 1 12 . 1 1 36 36 MET CB C 36 35.220 35.220 36.659 -1.439 26059 8214 1 12 . 1 1 36 36 MET H H 36 9.080 9.080 9.238 -0.158 26059 8215 1 12 . 1 1 37 37 VAL N N 37 126.220 126.220 120.451 5.769 26059 8216 1 12 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.122 0.188 26059 8217 1 12 . 1 1 37 37 VAL C C 37 172.300 172.300 173.933 -1.633 26059 8218 1 12 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.312 -0.772 26059 8219 1 12 . 1 1 37 37 VAL CB C 37 35.070 35.070 34.225 0.845 26059 8220 1 12 . 1 1 37 37 VAL H H 37 9.080 9.080 8.813 0.267 26059 8221 1 12 . 1 1 38 38 PHE N N 38 120.640 120.640 118.531 2.109 26059 8222 1 12 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.173 -0.203 26059 8223 1 12 . 1 1 38 38 PHE C C 38 172.960 172.960 173.742 -0.782 26059 8224 1 12 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.249 0.881 26059 8225 1 12 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.654 0.346 26059 8226 1 12 . 1 1 38 38 PHE H H 38 8.320 8.320 8.688 -0.368 26059 8227 1 12 . 1 1 39 39 VAL N N 39 116.500 116.500 117.365 -0.865 26059 8228 1 12 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.854 -0.844 26059 8229 1 12 . 1 1 39 39 VAL C C 39 174.700 174.700 174.868 -0.168 26059 8230 1 12 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.132 1.508 26059 8231 1 12 . 1 1 39 39 VAL CB C 39 35.400 35.400 34.773 0.627 26059 8232 1 12 . 1 1 39 39 VAL H H 39 8.580 8.580 8.936 -0.356 26059 8233 1 12 . 1 1 40 40 ARG N N 40 124.100 124.100 125.080 -0.980 26059 8234 1 12 . 1 1 40 40 ARG HA H 40 5.080 5.080 4.949 0.131 26059 8235 1 12 . 1 1 40 40 ARG C C 40 173.800 173.800 175.401 -1.601 26059 8236 1 12 . 1 1 40 40 ARG CA C 40 54.300 54.300 54.359 -0.059 26059 8237 1 12 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.703 -1.123 26059 8238 1 12 . 1 1 40 40 ARG H H 40 9.880 9.880 8.890 0.990 26059 8239 1 12 . 1 1 41 41 GLY N N 41 107.640 107.640 107.671 -0.031 26059 8240 1 12 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.859 1.111 26059 8241 1 12 . 1 1 41 41 GLY H H 41 8.910 8.910 8.408 0.502 26059 8242 1 12 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.373 0.117 26059 8243 1 12 . 1 1 42 42 PRO C C 42 177.300 177.300 176.316 0.984 26059 8244 1 12 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.218 -0.778 26059 8245 1 12 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.584 0.526 26059 8246 1 12 . 1 1 43 43 GLU N N 43 121.050 121.050 122.205 -1.155 26059 8247 1 12 . 1 1 43 43 GLU HA H 43 3.790 3.790 4.019 -0.229 26059 8248 1 12 . 1 1 43 43 GLU C C 43 176.110 176.110 175.442 0.668 26059 8249 1 12 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.551 0.299 26059 8250 1 12 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.325 0.525 26059 8251 1 12 . 1 1 43 43 GLU H H 43 9.060 9.060 8.957 0.103 26059 8252 1 12 . 1 1 44 44 HIS N N 44 114.100 114.100 110.394 3.706 26059 8253 1 12 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.126 0.225 26059 8254 1 12 . 1 1 44 44 HIS C C 44 175.170 175.170 174.355 0.815 26059 8255 1 12 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.308 0.342 26059 8256 1 12 . 1 1 44 44 HIS CB C 44 28.370 28.370 28.363 0.007 26059 8257 1 12 . 1 1 44 44 HIS H H 44 8.420 8.420 8.090 0.330 26059 8258 1 12 . 1 1 45 45 SER N N 45 115.540 115.540 116.519 -0.979 26059 8259 1 12 . 1 1 45 45 SER HA H 45 4.560 4.560 4.365 0.195 26059 8260 1 12 . 1 1 45 45 SER C C 45 173.700 173.700 174.092 -0.392 26059 8261 1 12 . 1 1 45 45 SER CA C 45 58.710 58.710 59.752 -1.042 26059 8262 1 12 . 1 1 45 45 SER CB C 45 64.500 64.500 63.904 0.597 26059 8263 1 12 . 1 1 45 45 SER H H 45 7.870 7.870 7.450 0.420 26059 8264 1 12 . 1 1 46 46 ASN N N 46 123.900 123.900 123.515 0.385 26059 8265 1 12 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.604 0.516 26059 8266 1 12 . 1 1 46 46 ASN C C 46 176.300 176.300 175.842 0.458 26059 8267 1 12 . 1 1 46 46 ASN CA C 46 52.690 52.690 54.176 -1.486 26059 8268 1 12 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.066 -0.335 26059 8269 1 12 . 1 1 46 46 ASN H H 46 9.480 9.480 8.878 0.602 26059 8270 1 12 . 1 1 47 47 ILE N N 47 115.240 115.240 118.099 -2.859 26059 8271 1 12 . 1 1 47 47 ILE HA H 47 3.940 3.940 3.976 -0.036 26059 8272 1 12 . 1 1 47 47 ILE C C 47 176.000 176.000 177.124 -1.124 26059 8273 1 12 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.984 1.216 26059 8274 1 12 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.757 -1.057 26059 8275 1 12 . 1 1 47 47 ILE H H 47 8.170 8.170 8.246 -0.076 26059 8276 1 12 . 1 1 48 48 GLN N N 48 123.200 123.200 120.776 2.424 26059 8277 1 12 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.090 0.190 26059 8278 1 12 . 1 1 48 48 GLN C C 48 175.670 175.670 176.803 -1.133 26059 8279 1 12 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.652 -0.752 26059 8280 1 12 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.857 -0.867 26059 8281 1 12 . 1 1 48 48 GLN H H 48 8.850 8.850 8.499 0.351 26059 8282 1 12 . 1 1 49 49 HIS N N 49 115.400 115.400 116.660 -1.260 26059 8283 1 12 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.359 0.211 26059 8284 1 12 . 1 1 49 49 HIS C C 49 176.380 176.380 177.744 -1.364 26059 8285 1 12 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.558 -0.808 26059 8286 1 12 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.290 1.330 26059 8287 1 12 . 1 1 49 49 HIS H H 49 7.400 7.400 7.863 -0.463 26059 8288 1 12 . 1 1 50 50 PHE N N 50 109.800 109.800 115.674 -5.874 26059 8289 1 12 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.878 0.352 26059 8290 1 12 . 1 1 50 50 PHE C C 50 173.800 173.800 174.625 -0.825 26059 8291 1 12 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.339 -0.679 26059 8292 1 12 . 1 1 50 50 PHE CB C 50 41.000 41.000 39.587 1.413 26059 8293 1 12 . 1 1 50 50 PHE H H 50 7.570 7.570 7.679 -0.109 26059 8294 1 12 . 1 1 51 51 VAL N N 51 127.810 127.810 120.624 7.186 26059 8295 1 12 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.715 -0.345 26059 8296 1 12 . 1 1 51 51 VAL C C 51 174.500 174.500 175.196 -0.696 26059 8297 1 12 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.719 0.281 26059 8298 1 12 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.910 0.370 26059 8299 1 12 . 1 1 51 51 VAL H H 51 7.810 7.810 7.909 -0.099 26059 8300 1 12 . 1 1 52 52 GLU N N 52 130.700 130.700 127.853 2.847 26059 8301 1 12 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.632 -0.652 26059 8302 1 12 . 1 1 52 52 GLU C C 52 175.400 175.400 175.302 0.098 26059 8303 1 12 . 1 1 52 52 GLU CA C 52 58.000 58.000 56.574 1.426 26059 8304 1 12 . 1 1 52 52 GLU CB C 52 31.580 31.580 32.782 -1.202 26059 8305 1 12 . 1 1 52 52 GLU H H 52 9.380 9.380 8.980 0.400 26059 8306 1 12 . 1 1 53 53 LYS N N 53 109.200 109.200 119.110 -9.910 26059 8307 1 12 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.923 -0.123 26059 8308 1 12 . 1 1 53 53 LYS C C 53 172.300 172.300 174.524 -2.224 26059 8309 1 12 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.988 -0.148 26059 8310 1 12 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.777 -1.527 26059 8311 1 12 . 1 1 53 53 LYS H H 53 7.190 7.190 7.491 -0.301 26059 8312 1 12 . 1 1 54 54 VAL N N 54 120.380 120.380 122.162 -1.782 26059 8313 1 12 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.921 -0.151 26059 8314 1 12 . 1 1 54 54 VAL C C 54 173.600 173.600 173.849 -0.249 26059 8315 1 12 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.243 0.797 26059 8316 1 12 . 1 1 54 54 VAL CB C 54 34.700 34.700 36.135 -1.435 26059 8317 1 12 . 1 1 54 54 VAL H H 54 8.450 8.450 8.356 0.094 26059 8318 1 12 . 1 1 55 55 VAL N N 55 126.920 126.920 121.920 5.000 26059 8319 1 12 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.306 -0.606 26059 8320 1 12 . 1 1 55 55 VAL C C 55 173.800 173.800 173.506 0.294 26059 8321 1 12 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.488 1.382 26059 8322 1 12 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.845 -1.745 26059 8323 1 12 . 1 1 55 55 VAL H H 55 9.260 9.260 8.595 0.665 26059 8324 1 12 . 1 1 56 56 PHE N N 56 126.130 126.130 127.385 -1.255 26059 8325 1 12 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.874 -0.152 26059 8326 1 12 . 1 1 56 56 PHE C C 56 174.000 174.000 174.860 -0.860 26059 8327 1 12 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.004 0.576 26059 8328 1 12 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.688 0.202 26059 8329 1 12 . 1 1 56 56 PHE H H 56 9.290 9.290 9.256 0.034 26059 8330 1 12 . 1 1 57 57 HIS N N 57 124.180 124.180 125.351 -1.171 26059 8331 1 12 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.965 -0.165 26059 8332 1 12 . 1 1 57 57 HIS C C 57 174.700 174.700 175.044 -0.344 26059 8333 1 12 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.745 -1.425 26059 8334 1 12 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.273 1.827 26059 8335 1 12 . 1 1 57 57 HIS H H 57 8.690 8.690 8.266 0.424 26059 8336 1 12 . 1 1 58 58 LEU N N 58 122.050 122.050 124.122 -2.072 26059 8337 1 12 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.600 -0.290 26059 8338 1 12 . 1 1 58 58 LEU C C 58 174.400 174.400 177.011 -2.611 26059 8339 1 12 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.176 1.234 26059 8340 1 12 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.964 -1.804 26059 8341 1 12 . 1 1 58 58 LEU H H 58 9.050 9.050 8.841 0.209 26059 8342 1 12 . 1 1 59 59 HIS N N 59 118.510 118.510 118.749 -0.239 26059 8343 1 12 . 1 1 59 59 HIS C C 59 175.300 175.300 176.814 -1.514 26059 8344 1 12 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.959 3.151 26059 8345 1 12 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.132 -0.202 26059 8346 1 12 . 1 1 59 59 HIS H H 59 5.160 5.160 7.860 -2.700 26059 8347 1 12 . 1 1 60 60 GLU N N 60 122.190 122.190 124.164 -1.974 26059 8348 1 12 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.140 -0.180 26059 8349 1 12 . 1 1 60 60 GLU C C 60 175.130 175.130 177.506 -2.376 26059 8350 1 12 . 1 1 60 60 GLU CA C 60 59.010 59.010 58.793 0.217 26059 8351 1 12 . 1 1 60 60 GLU CB C 60 28.820 28.820 29.095 -0.275 26059 8352 1 12 . 1 1 60 60 GLU H H 60 7.960 7.960 8.609 -0.649 26059 8353 1 12 . 1 1 61 61 SER N N 61 116.940 116.940 112.697 4.243 26059 8354 1 12 . 1 1 61 61 SER HA H 61 4.200 4.200 4.425 -0.225 26059 8355 1 12 . 1 1 61 61 SER CA C 61 60.010 60.010 59.348 0.662 26059 8356 1 12 . 1 1 61 61 SER CB C 61 63.140 63.140 63.906 -0.766 26059 8357 1 12 . 1 1 61 61 SER H H 61 8.540 8.540 8.233 0.307 26059 8358 1 12 . 1 1 62 62 PHE N N 62 123.700 123.700 122.120 1.580 26059 8359 1 12 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.704 -0.114 26059 8360 1 12 . 1 1 62 62 PHE CA C 62 57.400 57.400 56.291 1.109 26059 8361 1 12 . 1 1 62 62 PHE CB C 62 38.400 38.400 38.941 -0.541 26059 8362 1 12 . 1 1 62 62 PHE H H 62 8.640 8.640 8.025 0.615 26059 8363 1 12 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.535 -0.125 26059 8364 1 12 . 1 1 63 63 PRO C C 63 176.400 176.400 175.894 0.506 26059 8365 1 12 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.343 -0.743 26059 8366 1 12 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.141 -0.281 26059 8367 1 12 . 1 1 64 64 ARG N N 64 116.840 116.840 119.591 -2.751 26059 8368 1 12 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.125 -0.025 26059 8369 1 12 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.077 -0.467 26059 8370 1 12 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.362 0.468 26059 8371 1 12 . 1 1 64 64 ARG H H 64 8.890 8.890 8.707 0.183 26059 8372 1 12 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.401 -0.411 26059 8373 1 12 . 1 1 65 65 PRO C C 65 175.800 175.800 176.780 -0.980 26059 8374 1 12 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.604 1.206 26059 8375 1 12 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.293 -0.413 26059 8376 1 12 . 1 1 66 66 LYS N N 66 119.035 119.035 119.857 -0.822 26059 8377 1 12 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.555 0.055 26059 8378 1 12 . 1 1 66 66 LYS C C 66 175.400 175.400 175.607 -0.207 26059 8379 1 12 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.324 0.129 26059 8380 1 12 . 1 1 66 66 LYS CB C 66 31.730 31.730 33.066 -1.336 26059 8381 1 12 . 1 1 66 66 LYS H H 66 7.630 7.630 7.973 -0.343 26059 8382 1 12 . 1 1 67 67 ARG N N 67 127.394 127.394 128.093 -0.699 26059 8383 1 12 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.691 0.049 26059 8384 1 12 . 1 1 67 67 ARG C C 67 174.500 174.500 175.170 -0.670 26059 8385 1 12 . 1 1 67 67 ARG CA C 67 52.800 52.800 53.204 -0.404 26059 8386 1 12 . 1 1 67 67 ARG CB C 67 29.714 29.714 30.006 -0.292 26059 8387 1 12 . 1 1 67 67 ARG H H 67 8.855 8.855 8.688 0.167 26059 8388 1 12 . 1 1 68 68 VAL N N 68 124.388 124.388 120.904 3.484 26059 8389 1 12 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.443 -0.863 26059 8390 1 12 . 1 1 68 68 VAL C C 68 176.850 176.850 175.990 0.860 26059 8391 1 12 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.489 1.584 26059 8392 1 12 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.401 0.203 26059 8393 1 12 . 1 1 68 68 VAL H H 68 8.681 8.681 8.183 0.498 26059 8394 1 12 . 1 1 69 69 CYS N N 69 127.080 127.080 127.199 -0.119 26059 8395 1 12 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.870 0.200 26059 8396 1 12 . 1 1 69 69 CYS CA C 69 58.346 58.346 57.482 0.864 26059 8397 1 12 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.463 0.707 26059 8398 1 12 . 1 1 69 69 CYS H H 69 9.455 9.455 9.077 0.378 26059 8399 1 12 . 1 1 70 70 LYS N N 70 125.480 125.480 123.964 1.516 26059 8400 1 12 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.571 -0.081 26059 8401 1 12 . 1 1 70 70 LYS C C 70 174.300 174.300 176.359 -2.059 26059 8402 1 12 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.716 -0.356 26059 8403 1 12 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.512 -0.342 26059 8404 1 12 . 1 1 70 70 LYS H H 70 9.050 9.050 8.687 0.363 26059 8405 1 12 . 1 1 71 71 ASP N N 71 116.940 116.940 121.761 -4.821 26059 8406 1 12 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.883 0.217 26059 8407 1 12 . 1 1 71 71 ASP CA C 71 51.080 51.080 53.366 -2.286 26059 8408 1 12 . 1 1 71 71 ASP CB C 71 43.380 43.380 40.702 2.679 26059 8409 1 12 . 1 1 71 71 ASP H H 71 7.620 7.620 8.090 -0.470 26059 8410 1 12 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.186 -0.926 26059 8411 1 12 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.897 -2.247 26059 8412 1 12 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.949 -0.909 26059 8413 1 12 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.948 0.152 26059 8414 1 12 . 1 1 73 73 PRO C C 73 174.700 174.700 176.361 -1.661 26059 8415 1 12 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.862 -2.172 26059 8416 1 12 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.492 2.548 26059 8417 1 12 . 1 1 74 74 TYR N N 74 125.400 125.400 124.973 0.427 26059 8418 1 12 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.407 0.443 26059 8419 1 12 . 1 1 74 74 TYR C C 74 172.900 172.900 175.258 -2.358 26059 8420 1 12 . 1 1 74 74 TYR CA C 74 55.670 55.670 58.922 -3.252 26059 8421 1 12 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.622 -1.222 26059 8422 1 12 . 1 1 74 74 TYR H H 74 8.960 8.960 8.253 0.707 26059 8423 1 12 . 1 1 75 75 LYS N N 75 121.400 121.400 119.878 1.522 26059 8424 1 12 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.614 -0.024 26059 8425 1 12 . 1 1 75 75 LYS C C 75 173.800 173.800 175.172 -1.372 26059 8426 1 12 . 1 1 75 75 LYS CA C 75 54.650 54.650 53.916 0.734 26059 8427 1 12 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.022 -1.132 26059 8428 1 12 . 1 1 75 75 LYS H H 75 7.670 7.670 7.929 -0.259 26059 8429 1 12 . 1 1 76 76 VAL N N 76 119.800 119.800 122.730 -2.930 26059 8430 1 12 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.282 -0.392 26059 8431 1 12 . 1 1 76 76 VAL C C 76 173.900 173.900 174.415 -0.515 26059 8432 1 12 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.369 1.361 26059 8433 1 12 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.128 0.412 26059 8434 1 12 . 1 1 76 76 VAL H H 76 8.180 8.180 8.633 -0.453 26059 8435 1 12 . 1 1 77 77 GLU N N 77 126.190 126.190 125.706 0.484 26059 8436 1 12 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.080 -0.130 26059 8437 1 12 . 1 1 77 77 GLU C C 77 174.700 174.700 175.116 -0.416 26059 8438 1 12 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.844 0.096 26059 8439 1 12 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.591 -0.041 26059 8440 1 12 . 1 1 77 77 GLU H H 77 8.270 8.270 8.669 -0.399 26059 8441 1 12 . 1 1 78 78 GLU N N 78 126.180 126.180 123.708 2.472 26059 8442 1 12 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.650 -0.200 26059 8443 1 12 . 1 1 78 78 GLU C C 78 175.400 175.400 173.479 1.921 26059 8444 1 12 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.172 -0.173 26059 8445 1 12 . 1 1 78 78 GLU CB C 78 37.100 37.100 34.209 2.890 26059 8446 1 12 . 1 1 78 78 GLU H H 78 7.870 7.870 7.973 -0.103 26059 8447 1 12 . 1 1 79 79 SER N N 79 112.109 112.109 115.230 -3.121 26059 8448 1 12 . 1 1 79 79 SER HA H 79 5.560 5.560 5.525 0.035 26059 8449 1 12 . 1 1 79 79 SER C C 79 172.490 172.490 173.630 -1.140 26059 8450 1 12 . 1 1 79 79 SER CA C 79 57.754 57.754 56.339 1.415 26059 8451 1 12 . 1 1 79 79 SER CB C 79 65.861 65.861 65.583 0.278 26059 8452 1 12 . 1 1 79 79 SER H H 79 7.714 7.714 8.573 -0.859 26059 8453 1 12 . 1 1 80 80 GLY N N 80 106.048 106.048 110.619 -4.571 26059 8454 1 12 . 1 1 80 80 GLY C C 80 172.630 172.630 172.015 0.615 26059 8455 1 12 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.354 0.346 26059 8456 1 12 . 1 1 80 80 GLY H H 80 8.828 8.828 8.803 0.025 26059 8457 1 12 . 1 1 81 81 TYR N N 81 115.280 115.280 116.132 -0.852 26059 8458 1 12 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.348 0.332 26059 8459 1 12 . 1 1 81 81 TYR C C 81 174.100 174.100 174.273 -0.173 26059 8460 1 12 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.154 -1.654 26059 8461 1 12 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.684 0.316 26059 8462 1 12 . 1 1 81 81 TYR H H 81 8.770 8.770 7.953 0.817 26059 8463 1 12 . 1 1 82 82 ALA N N 82 122.350 122.350 122.248 0.102 26059 8464 1 12 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.505 -0.065 26059 8465 1 12 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.284 -0.244 26059 8466 1 12 . 1 1 82 82 ALA CB C 82 22.400 22.400 21.120 1.280 26059 8467 1 12 . 1 1 82 82 ALA H H 82 7.160 7.160 7.036 0.124 26059 8468 1 12 . 1 1 83 83 GLY N N 83 107.100 107.100 108.142 -1.042 26059 8469 1 12 . 1 1 83 83 GLY C C 83 172.500 172.500 173.473 -0.973 26059 8470 1 12 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.450 0.160 26059 8471 1 12 . 1 1 83 83 GLY H H 83 8.220 8.220 8.259 -0.039 26059 8472 1 12 . 1 1 84 84 PHE N N 84 111.660 111.660 115.873 -4.213 26059 8473 1 12 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.592 0.098 26059 8474 1 12 . 1 1 84 84 PHE C C 84 172.460 172.460 173.125 -0.665 26059 8475 1 12 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.698 0.802 26059 8476 1 12 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.869 -1.289 26059 8477 1 12 . 1 1 84 84 PHE H H 84 7.700 7.700 8.027 -0.327 26059 8478 1 12 . 1 1 85 85 ILE N N 85 117.810 117.810 121.324 -3.514 26059 8479 1 12 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.081 0.229 26059 8480 1 12 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.747 -1.407 26059 8481 1 12 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.489 -1.229 26059 8482 1 12 . 1 1 85 85 ILE H H 85 8.340 8.340 8.301 0.039 26059 8483 1 12 . 1 1 86 86 LEU N N 86 108.130 108.130 129.248 -21.118 26059 8484 1 12 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.987 -0.007 26059 8485 1 12 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.929 2.271 26059 8486 1 12 . 1 1 86 86 LEU CB C 86 45.300 45.300 45.011 0.289 26059 8487 1 12 . 1 1 86 86 LEU H H 86 9.900 9.900 8.736 1.164 26059 8488 1 12 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.923 0.177 26059 8489 1 12 . 1 1 87 87 PRO C C 87 175.340 175.340 175.985 -0.645 26059 8490 1 12 . 1 1 87 87 PRO CA C 87 63.110 63.110 62.496 0.614 26059 8491 1 12 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.818 -0.258 26059 8492 1 12 . 1 1 88 88 ILE N N 88 126.000 126.000 126.368 -0.368 26059 8493 1 12 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.604 0.186 26059 8494 1 12 . 1 1 88 88 ILE C C 88 176.100 176.100 174.994 1.106 26059 8495 1 12 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.160 0.400 26059 8496 1 12 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.988 2.012 26059 8497 1 12 . 1 1 88 88 ILE H H 88 9.380 9.380 9.046 0.334 26059 8498 1 12 . 1 1 89 89 GLU N N 89 123.900 123.900 127.027 -3.127 26059 8499 1 12 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.174 0.026 26059 8500 1 12 . 1 1 89 89 GLU C C 89 173.800 173.800 175.488 -1.688 26059 8501 1 12 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.329 -0.359 26059 8502 1 12 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.953 2.427 26059 8503 1 12 . 1 1 89 89 GLU H H 89 9.320 9.320 8.677 0.643 26059 8504 1 12 . 1 1 90 90 VAL N N 90 123.980 123.980 124.715 -0.735 26059 8505 1 12 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.885 0.275 26059 8506 1 12 . 1 1 90 90 VAL C C 90 174.800 174.800 174.568 0.232 26059 8507 1 12 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.880 -0.490 26059 8508 1 12 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.754 -0.264 26059 8509 1 12 . 1 1 90 90 VAL H H 90 8.630 8.630 7.930 0.700 26059 8510 1 12 . 1 1 91 91 TYR N N 91 124.230 124.230 126.369 -2.139 26059 8511 1 12 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.873 -0.213 26059 8512 1 12 . 1 1 91 91 TYR C C 91 176.800 176.800 175.439 1.361 26059 8513 1 12 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.307 -0.607 26059 8514 1 12 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.591 0.649 26059 8515 1 12 . 1 1 91 91 TYR H H 91 8.640 8.640 9.102 -0.462 26059 8516 1 12 . 1 1 92 92 PHE N N 92 121.200 121.200 120.482 0.718 26059 8517 1 12 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.552 0.108 26059 8518 1 12 . 1 1 92 92 PHE CA C 92 56.510 56.510 54.988 1.522 26059 8519 1 12 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.728 -0.728 26059 8520 1 12 . 1 1 92 92 PHE H H 92 8.750 8.750 8.893 -0.143 26059 8521 1 12 . 1 1 93 93 LYS N N 93 123.450 123.450 122.709 0.741 26059 8522 1 12 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.748 -0.148 26059 8523 1 12 . 1 1 93 93 LYS C C 93 174.200 174.200 175.181 -0.981 26059 8524 1 12 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.420 -0.240 26059 8525 1 12 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.609 0.071 26059 8526 1 12 . 1 1 93 93 LYS H H 93 8.560 8.560 8.724 -0.164 26059 8527 1 12 . 1 1 94 94 ASN N N 94 118.800 118.800 120.350 -1.550 26059 8528 1 12 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.904 -0.464 26059 8529 1 12 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.156 -0.946 26059 8530 1 12 . 1 1 94 94 ASN CB C 94 39.800 39.800 40.496 -0.696 26059 8531 1 12 . 1 1 94 94 ASN H H 94 7.820 7.820 8.268 -0.448 26059 8532 1 12 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.343 -0.013 26059 8533 1 12 . 1 1 95 95 LYS C C 95 175.800 175.800 175.155 0.645 26059 8534 1 12 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.597 -0.387 26059 8535 1 12 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.269 0.741 26059 8536 1 12 . 1 1 96 96 GLU N N 96 118.330 118.330 121.583 -3.253 26059 8537 1 12 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.357 0.153 26059 8538 1 12 . 1 1 96 96 GLU C C 96 173.200 173.200 176.090 -2.890 26059 8539 1 12 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.461 -0.361 26059 8540 1 12 . 1 1 96 96 GLU CB C 96 31.470 31.470 29.873 1.597 26059 8541 1 12 . 1 1 96 96 GLU H H 96 7.120 7.120 7.532 -0.412 26059 8542 1 12 . 1 1 97 97 GLU N N 97 115.630 115.630 119.908 -4.278 26059 8543 1 12 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.145 0.285 26059 8544 1 12 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.227 -1.367 26059 8545 1 12 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.346 0.924 26059 8546 1 12 . 1 1 97 97 GLU H H 97 8.060 8.060 8.321 -0.261 26059 8547 1 12 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.196 0.804 26059 8548 1 12 . 1 1 98 98 PRO C C 98 175.900 175.900 176.703 -0.803 26059 8549 1 12 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.210 -2.050 26059 8550 1 12 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.724 2.276 26059 8551 1 12 . 1 1 99 99 ARG N N 99 122.800 122.800 120.483 2.317 26059 8552 1 12 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.341 0.289 26059 8553 1 12 . 1 1 99 99 ARG C C 99 175.800 175.800 175.589 0.211 26059 8554 1 12 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.984 0.216 26059 8555 1 12 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.172 0.238 26059 8556 1 12 . 1 1 99 99 ARG H H 99 8.602 8.602 8.618 -0.016 26059 8557 1 12 . 1 1 100 100 LYS N N 100 113.220 113.220 115.851 -2.631 26059 8558 1 12 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.921 0.019 26059 8559 1 12 . 1 1 100 100 LYS C C 100 174.100 174.100 174.645 -0.545 26059 8560 1 12 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.861 -0.470 26059 8561 1 12 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.533 -0.813 26059 8562 1 12 . 1 1 100 100 LYS H H 100 7.650 7.650 7.206 0.444 26059 8563 1 12 . 1 1 101 101 VAL N N 101 116.230 116.230 118.034 -1.804 26059 8564 1 12 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.346 -0.076 26059 8565 1 12 . 1 1 101 101 VAL C C 101 171.600 171.600 173.579 -1.979 26059 8566 1 12 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.116 1.144 26059 8567 1 12 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.212 -0.032 26059 8568 1 12 . 1 1 101 101 VAL H H 101 8.120 8.120 8.302 -0.182 26059 8569 1 12 . 1 1 102 102 ARG N N 102 124.980 124.980 124.070 0.910 26059 8570 1 12 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.819 0.341 26059 8571 1 12 . 1 1 102 102 ARG C C 102 174.340 174.340 174.791 -0.451 26059 8572 1 12 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.700 -0.950 26059 8573 1 12 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.298 2.052 26059 8574 1 12 . 1 1 102 102 ARG H H 102 7.930 7.930 8.072 -0.142 26059 8575 1 12 . 1 1 103 103 PHE N N 103 124.590 124.590 126.330 -1.740 26059 8576 1 12 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.710 0.082 26059 8577 1 12 . 1 1 103 103 PHE C C 103 174.280 174.280 174.673 -0.393 26059 8578 1 12 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.643 0.837 26059 8579 1 12 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.561 1.689 26059 8580 1 12 . 1 1 103 103 PHE H H 103 9.390 9.390 9.128 0.262 26059 8581 1 12 . 1 1 104 104 ASP N N 104 124.700 124.700 124.146 0.554 26059 8582 1 12 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.597 0.202 26059 8583 1 12 . 1 1 104 104 ASP C C 104 174.500 174.500 174.475 0.025 26059 8584 1 12 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.863 0.527 26059 8585 1 12 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.899 -0.669 26059 8586 1 12 . 1 1 104 104 ASP H H 104 9.010 9.010 8.972 0.038 26059 8587 1 12 . 1 1 105 105 TYR N N 105 129.840 129.840 123.984 5.856 26059 8588 1 12 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.703 -0.633 26059 8589 1 12 . 1 1 105 105 TYR C C 105 173.100 173.100 172.994 0.106 26059 8590 1 12 . 1 1 105 105 TYR CA C 105 58.680 58.680 57.022 1.658 26059 8591 1 12 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.706 -0.856 26059 8592 1 12 . 1 1 105 105 TYR H H 105 8.140 8.140 8.201 -0.061 26059 8593 1 12 . 1 1 106 106 ASP N N 106 126.800 126.800 126.935 -0.135 26059 8594 1 12 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.374 -0.154 26059 8595 1 12 . 1 1 106 106 ASP C C 106 172.900 172.900 174.615 -1.715 26059 8596 1 12 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.520 -0.010 26059 8597 1 12 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.173 -1.673 26059 8598 1 12 . 1 1 106 106 ASP H H 106 7.730 7.730 8.217 -0.487 26059 8599 1 12 . 1 1 107 107 LEU N N 107 132.150 132.150 128.710 3.440 26059 8600 1 12 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.681 -0.841 26059 8601 1 12 . 1 1 107 107 LEU C C 107 172.100 172.100 174.851 -2.751 26059 8602 1 12 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.718 -0.518 26059 8603 1 12 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.803 -1.563 26059 8604 1 12 . 1 1 107 107 LEU H H 107 7.770 7.770 7.730 0.040 26059 8605 1 12 . 1 1 108 108 PHE N N 108 118.960 118.960 121.838 -2.878 26059 8606 1 12 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.857 -0.167 26059 8607 1 12 . 1 1 108 108 PHE C C 108 174.300 174.300 173.703 0.597 26059 8608 1 12 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.229 -0.539 26059 8609 1 12 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.630 -0.340 26059 8610 1 12 . 1 1 108 108 PHE H H 108 6.060 6.060 7.573 -1.513 26059 8611 1 12 . 1 1 109 109 LEU N N 109 118.900 118.900 120.716 -1.816 26059 8612 1 12 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.641 -0.241 26059 8613 1 12 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.246 -1.086 26059 8614 1 12 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.435 -2.355 26059 8615 1 12 . 1 1 109 109 LEU H H 109 8.388 8.388 8.167 0.221 26059 8616 1 12 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.375 0.065 26059 8617 1 12 . 1 1 111 111 LEU C C 111 177.300 177.300 177.501 -0.201 26059 8618 1 12 . 1 1 111 111 LEU CA C 111 54.220 54.220 54.898 -0.678 26059 8619 1 12 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.869 1.001 26059 8620 1 12 . 1 1 112 112 GLU N N 112 120.660 120.660 121.056 -0.396 26059 8621 1 12 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.141 0.029 26059 8622 1 12 . 1 1 112 112 GLU CA C 112 58.460 58.460 57.903 0.557 26059 8623 1 12 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.665 -0.475 26059 8624 1 12 . 1 1 112 112 GLU H H 112 8.780 8.780 8.699 0.081 26059 8625 1 12 . 1 1 113 113 GLY C C 113 173.900 173.900 174.085 -0.185 26059 8626 1 12 . 1 1 113 113 GLY CA C 113 44.950 44.950 45.355 -0.405 26059 8627 1 12 . 1 1 114 114 HIS N N 114 120.890 120.890 120.433 0.457 26059 8628 1 12 . 1 1 114 114 HIS HA H 114 4.906 4.906 5.066 -0.160 26059 8629 1 12 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.539 1.231 26059 8630 1 12 . 1 1 114 114 HIS CB C 114 30.590 30.590 32.363 -1.773 26059 8631 1 12 . 1 1 114 114 HIS H H 114 7.934 7.934 7.898 0.036 26059 8632 1 12 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.294 0.506 26059 8633 1 12 . 1 1 115 115 PRO CA C 115 62.090 62.090 62.039 0.051 26059 8634 1 12 . 1 1 115 115 PRO CB C 115 30.680 30.680 30.478 0.202 26059 8635 1 12 . 1 1 116 116 PRO HA H 116 4.210 4.210 3.445 0.765 26059 8636 1 12 . 1 1 116 116 PRO C C 116 176.600 176.600 176.222 0.378 26059 8637 1 12 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.191 0.109 26059 8638 1 12 . 1 1 117 117 VAL N N 117 127.480 127.480 119.106 8.374 26059 8639 1 12 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.234 -0.444 26059 8640 1 12 . 1 1 117 117 VAL CA C 117 62.700 62.700 60.923 1.776 26059 8641 1 12 . 1 1 117 117 VAL CB C 117 33.200 33.200 34.720 -1.520 26059 8642 1 12 . 1 1 117 117 VAL H H 117 8.890 8.890 8.175 0.716 26059 8643 1 12 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.128 -0.138 26059 8644 1 12 . 1 1 118 118 ASN C C 118 172.700 172.700 173.822 -1.122 26059 8645 1 12 . 1 1 118 118 ASN CA C 118 53.360 53.360 52.960 0.400 26059 8646 1 12 . 1 1 118 118 ASN CB C 118 39.200 39.200 39.877 -0.676 26059 8647 1 12 . 1 1 119 119 HIS N N 119 124.930 124.930 125.953 -1.023 26059 8648 1 12 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.105 -0.285 26059 8649 1 12 . 1 1 119 119 HIS C C 119 173.500 173.500 173.154 0.346 26059 8650 1 12 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.180 1.790 26059 8651 1 12 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.249 1.020 26059 8652 1 12 . 1 1 119 119 HIS H H 119 8.790 8.790 8.335 0.455 26059 8653 1 12 . 1 1 120 120 LEU N N 120 128.280 128.280 125.161 3.119 26059 8654 1 12 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.613 0.337 26059 8655 1 12 . 1 1 120 120 LEU C C 120 174.030 174.030 175.623 -1.593 26059 8656 1 12 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.620 0.380 26059 8657 1 12 . 1 1 120 120 LEU CB C 120 46.600 46.600 44.768 1.832 26059 8658 1 12 . 1 1 120 120 LEU H H 120 7.460 7.460 8.385 -0.925 26059 8659 1 12 . 1 1 121 121 ARG N N 121 128.060 128.060 123.886 4.174 26059 8660 1 12 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.635 0.005 26059 8661 1 12 . 1 1 121 121 ARG C C 121 173.400 173.400 174.141 -0.741 26059 8662 1 12 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.931 -0.570 26059 8663 1 12 . 1 1 121 121 ARG CB C 121 34.260 34.260 34.268 -0.008 26059 8664 1 12 . 1 1 121 121 ARG H H 121 9.860 9.860 8.613 1.247 26059 8665 1 12 . 1 1 122 122 CYS N N 122 125.290 125.290 123.856 1.434 26059 8666 1 12 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.290 -0.270 26059 8667 1 12 . 1 1 122 122 CYS C C 122 174.600 174.600 173.936 0.664 26059 8668 1 12 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.210 1.080 26059 8669 1 12 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.570 -1.540 26059 8670 1 12 . 1 1 122 122 CYS H H 122 8.835 8.835 8.657 0.178 26059 8671 1 12 . 1 1 123 123 GLU N N 123 125.920 125.920 124.653 1.267 26059 8672 1 12 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.488 0.192 26059 8673 1 12 . 1 1 123 123 GLU C C 123 174.500 174.500 174.983 -0.483 26059 8674 1 12 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.630 -0.211 26059 8675 1 12 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.258 0.325 26059 8676 1 12 . 1 1 123 123 GLU H H 123 8.970 8.970 8.985 -0.015 26059 8677 1 12 . 1 1 124 124 LYS N N 124 121.837 121.837 126.020 -4.183 26059 8678 1 12 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.808 0.152 26059 8679 1 12 . 1 1 124 124 LYS C C 124 175.700 175.700 176.053 -0.353 26059 8680 1 12 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.521 -0.164 26059 8681 1 12 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.339 0.850 26059 8682 1 12 . 1 1 124 124 LYS H H 124 8.652 8.652 8.546 0.106 26059 8683 1 12 . 1 1 125 125 LEU N N 125 127.000 127.000 129.834 -2.834 26059 8684 1 12 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.409 0.241 26059 8685 1 12 . 1 1 125 125 LEU C C 125 175.110 175.110 175.399 -0.289 26059 8686 1 12 . 1 1 125 125 LEU CA C 125 53.854 53.854 54.168 -0.314 26059 8687 1 12 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.501 1.766 26059 8688 1 12 . 1 1 125 125 LEU H H 125 9.175 9.175 8.965 0.210 26059 8689 1 12 . 1 1 126 126 THR N N 126 117.779 117.779 121.023 -3.244 26059 8690 1 12 . 1 1 126 126 THR HA H 126 4.650 4.650 4.580 0.070 26059 8691 1 12 . 1 1 126 126 THR C C 126 173.200 173.200 173.589 -0.389 26059 8692 1 12 . 1 1 126 126 THR CA C 126 62.036 62.036 61.814 0.222 26059 8693 1 12 . 1 1 126 126 THR CB C 126 70.284 70.284 69.379 0.905 26059 8694 1 12 . 1 1 126 126 THR H H 126 8.331 8.331 8.388 -0.057 26059 8695 1 12 . 1 1 127 127 PHE N N 127 126.576 126.576 127.278 -0.702 26059 8696 1 12 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.753 -0.163 26059 8697 1 12 . 1 1 127 127 PHE C C 127 174.860 174.860 174.306 0.554 26059 8698 1 12 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.317 1.547 26059 8699 1 12 . 1 1 127 127 PHE CB C 127 39.000 39.000 39.928 -0.928 26059 8700 1 12 . 1 1 127 127 PHE H H 127 9.051 9.051 9.007 0.044 26059 8701 1 12 . 1 1 128 128 ASN N N 128 123.040 123.040 122.052 0.988 26059 8702 1 12 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.592 0.028 26059 8703 1 12 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.513 0.967 26059 8704 1 12 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.662 0.798 26059 8705 1 12 . 1 1 128 128 ASN H H 128 8.880 8.880 8.819 0.061 26059 8706 1 12 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.632 0.128 26059 8707 1 12 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.268 -0.368 26059 8708 1 12 . 1 1 129 129 ASN CB C 129 38.730 38.730 38.542 0.188 26059 8709 1 12 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.597 0.193 26059 8710 1 12 . 1 1 130 130 PRO C C 130 177.470 177.470 176.007 1.463 26059 8711 1 12 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.454 0.120 26059 8712 1 12 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.809 -0.499 26059 8713 1 12 . 1 1 131 131 THR N N 131 113.400 113.400 109.883 3.517 26059 8714 1 12 . 1 1 131 131 THR HA H 131 4.300 4.300 4.368 -0.068 26059 8715 1 12 . 1 1 131 131 THR C C 131 175.200 175.200 176.025 -0.825 26059 8716 1 12 . 1 1 131 131 THR CA C 131 62.200 62.200 61.119 1.081 26059 8717 1 12 . 1 1 131 131 THR CB C 131 70.600 70.600 70.019 0.581 26059 8718 1 12 . 1 1 131 131 THR H H 131 8.950 8.950 8.055 0.895 26059 8719 1 12 . 1 1 132 132 GLU N N 132 122.199 122.199 124.030 -1.831 26059 8720 1 12 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.886 0.124 26059 8721 1 12 . 1 1 132 132 GLU C C 132 178.700 178.700 177.950 0.750 26059 8722 1 12 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.700 -0.407 26059 8723 1 12 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.578 -0.417 26059 8724 1 12 . 1 1 132 132 GLU H H 132 8.932 8.932 9.087 -0.155 26059 8725 1 12 . 1 1 133 133 ASP N N 133 116.324 116.324 117.599 -1.275 26059 8726 1 12 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.413 -0.083 26059 8727 1 12 . 1 1 133 133 ASP C C 133 177.800 177.800 178.360 -0.560 26059 8728 1 12 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.771 0.589 26059 8729 1 12 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.898 1.925 26059 8730 1 12 . 1 1 133 133 ASP H H 133 8.490 8.490 8.774 -0.284 26059 8731 1 12 . 1 1 134 134 PHE N N 134 119.914 119.914 122.369 -2.455 26059 8732 1 12 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.227 0.383 26059 8733 1 12 . 1 1 134 134 PHE C C 134 177.300 177.300 177.123 0.177 26059 8734 1 12 . 1 1 134 134 PHE CA C 134 59.538 59.538 59.881 -0.343 26059 8735 1 12 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.269 -0.069 26059 8736 1 12 . 1 1 134 134 PHE H H 134 7.787 7.787 7.744 0.043 26059 8737 1 12 . 1 1 135 135 ARG N N 135 119.794 119.794 120.530 -0.736 26059 8738 1 12 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.757 -0.407 26059 8739 1 12 . 1 1 135 135 ARG C C 135 177.370 177.370 178.110 -0.740 26059 8740 1 12 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.064 0.312 26059 8741 1 12 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.032 0.364 26059 8742 1 12 . 1 1 135 135 ARG H H 135 9.087 9.087 8.369 0.718 26059 8743 1 12 . 1 1 136 136 ARG N N 136 114.554 114.554 118.547 -3.993 26059 8744 1 12 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.983 -0.163 26059 8745 1 12 . 1 1 136 136 ARG C C 136 178.950 178.950 178.396 0.554 26059 8746 1 12 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.901 -0.601 26059 8747 1 12 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.036 0.181 26059 8748 1 12 . 1 1 136 136 ARG H H 136 7.747 7.747 8.330 -0.583 26059 8749 1 12 . 1 1 137 137 LYS N N 137 118.298 118.298 118.439 -0.141 26059 8750 1 12 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.026 -0.126 26059 8751 1 12 . 1 1 137 137 LYS C C 137 177.980 177.980 178.717 -0.737 26059 8752 1 12 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.327 1.068 26059 8753 1 12 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.217 0.230 26059 8754 1 12 . 1 1 137 137 LYS H H 137 7.154 7.154 7.238 -0.084 26059 8755 1 12 . 1 1 138 138 LEU N N 138 117.159 117.159 119.136 -1.977 26059 8756 1 12 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.745 -0.325 26059 8757 1 12 . 1 1 138 138 LEU C C 138 179.100 179.100 178.663 0.437 26059 8758 1 12 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.185 0.045 26059 8759 1 12 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.569 0.759 26059 8760 1 12 . 1 1 138 138 LEU H H 138 7.709 7.709 7.835 -0.126 26059 8761 1 12 . 1 1 139 139 LEU N N 139 115.158 115.158 116.590 -1.432 26059 8762 1 12 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.118 0.032 26059 8763 1 12 . 1 1 139 139 LEU C C 139 177.600 177.600 178.612 -1.012 26059 8764 1 12 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.641 -1.111 26059 8765 1 12 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.951 -0.207 26059 8766 1 12 . 1 1 139 139 LEU H H 139 7.507 7.507 8.215 -0.708 26059 8767 1 12 . 1 1 140 140 LYS N N 140 120.256 120.256 119.385 0.871 26059 8768 1 12 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.029 0.081 26059 8769 1 12 . 1 1 140 140 LYS C C 140 175.800 175.800 177.162 -1.362 26059 8770 1 12 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.371 -0.319 26059 8771 1 12 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.662 -0.016 26059 8772 1 12 . 1 1 140 140 LYS H H 140 7.304 7.304 7.513 -0.209 26059 8773 1 13 . 1 1 4 4 MET C C 4 175.800 175.800 175.038 0.762 26059 8774 1 13 . 1 1 4 4 MET CA C 4 55.350 55.350 55.512 -0.162 26059 8775 1 13 . 1 1 4 4 MET CB C 4 32.880 32.880 32.979 -0.099 26059 8776 1 13 . 1 1 5 5 ALA N N 5 125.230 125.230 121.949 3.281 26059 8777 1 13 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.195 0.155 26059 8778 1 13 . 1 1 5 5 ALA CA C 5 52.430 52.430 52.200 0.230 26059 8779 1 13 . 1 1 5 5 ALA CB C 5 19.370 19.370 17.303 2.067 26059 8780 1 13 . 1 1 5 5 ALA H H 5 8.320 8.320 8.258 0.062 26059 8781 1 13 . 1 1 6 6 SER HA H 6 4.490 4.490 4.323 0.167 26059 8782 1 13 . 1 1 6 6 SER CA C 6 58.200 58.200 58.167 0.033 26059 8783 1 13 . 1 1 6 6 SER CB C 6 63.700 63.700 63.298 0.402 26059 8784 1 13 . 1 1 7 7 SER HA H 7 4.530 4.530 4.824 -0.294 26059 8785 1 13 . 1 1 7 7 SER CA C 7 58.200 58.200 58.438 -0.238 26059 8786 1 13 . 1 1 7 7 SER CB C 7 63.700 63.700 63.147 0.553 26059 8787 1 13 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.705 -0.095 26059 8788 1 13 . 1 1 8 8 CYS C C 8 173.500 173.500 173.694 -0.194 26059 8789 1 13 . 1 1 8 8 CYS CA C 8 58.340 58.340 56.210 2.130 26059 8790 1 13 . 1 1 8 8 CYS CB C 8 28.490 28.490 27.991 0.498 26059 8791 1 13 . 1 1 9 9 ALA N N 9 124.700 124.700 129.170 -4.470 26059 8792 1 13 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.286 -0.496 26059 8793 1 13 . 1 1 9 9 ALA C C 9 177.400 177.400 176.510 0.890 26059 8794 1 13 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.541 1.529 26059 8795 1 13 . 1 1 9 9 ALA CB C 9 20.629 20.629 21.093 -0.464 26059 8796 1 13 . 1 1 9 9 ALA H H 9 7.960 7.960 8.331 -0.371 26059 8797 1 13 . 1 1 10 10 VAL N N 10 120.124 120.124 122.956 -2.832 26059 8798 1 13 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.337 -0.047 26059 8799 1 13 . 1 1 10 10 VAL C C 10 173.900 173.900 174.908 -1.008 26059 8800 1 13 . 1 1 10 10 VAL CA C 10 61.550 61.550 60.941 0.609 26059 8801 1 13 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.781 1.119 26059 8802 1 13 . 1 1 10 10 VAL H H 10 8.424 8.424 8.784 -0.360 26059 8803 1 13 . 1 1 11 11 GLN N N 11 125.818 125.818 123.866 1.952 26059 8804 1 13 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.398 0.162 26059 8805 1 13 . 1 1 11 11 GLN C C 11 175.400 175.400 175.439 -0.039 26059 8806 1 13 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.379 -0.256 26059 8807 1 13 . 1 1 11 11 GLN CB C 11 32.029 32.029 31.157 0.872 26059 8808 1 13 . 1 1 11 11 GLN H H 11 8.636 8.636 8.402 0.234 26059 8809 1 13 . 1 1 12 12 VAL N N 12 119.106 119.106 118.039 1.067 26059 8810 1 13 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.388 0.242 26059 8811 1 13 . 1 1 12 12 VAL C C 12 173.800 173.800 174.600 -0.800 26059 8812 1 13 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.581 0.219 26059 8813 1 13 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.900 1.811 26059 8814 1 13 . 1 1 12 12 VAL H H 12 8.827 8.827 8.595 0.232 26059 8815 1 13 . 1 1 13 13 LYS N N 13 121.700 121.700 121.493 0.207 26059 8816 1 13 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.298 -0.098 26059 8817 1 13 . 1 1 13 13 LYS C C 13 175.030 175.030 175.459 -0.429 26059 8818 1 13 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.313 0.117 26059 8819 1 13 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.187 0.733 26059 8820 1 13 . 1 1 13 13 LYS H H 13 8.234 8.234 8.385 -0.151 26059 8821 1 13 . 1 1 14 14 LEU N N 14 119.100 119.100 124.143 -5.043 26059 8822 1 13 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.292 -0.342 26059 8823 1 13 . 1 1 14 14 LEU C C 14 175.110 175.110 175.808 -0.698 26059 8824 1 13 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.313 0.044 26059 8825 1 13 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.048 1.873 26059 8826 1 13 . 1 1 14 14 LEU H H 14 8.840 8.840 9.171 -0.331 26059 8827 1 13 . 1 1 15 15 GLU N N 15 120.978 120.978 123.644 -2.666 26059 8828 1 13 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.226 -0.236 26059 8829 1 13 . 1 1 15 15 GLU C C 15 173.800 173.800 174.873 -1.073 26059 8830 1 13 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.475 0.953 26059 8831 1 13 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.344 -0.519 26059 8832 1 13 . 1 1 15 15 GLU H H 15 9.181 9.181 9.223 -0.042 26059 8833 1 13 . 1 1 16 16 LEU N N 16 124.438 124.438 127.585 -3.147 26059 8834 1 13 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.203 -0.093 26059 8835 1 13 . 1 1 16 16 LEU C C 16 174.700 174.700 176.039 -1.339 26059 8836 1 13 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.834 0.242 26059 8837 1 13 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.113 3.779 26059 8838 1 13 . 1 1 16 16 LEU H H 16 8.891 8.891 8.352 0.539 26059 8839 1 13 . 1 1 17 17 GLY N N 17 108.067 108.067 110.811 -2.744 26059 8840 1 13 . 1 1 17 17 GLY C C 17 170.350 170.350 171.663 -1.313 26059 8841 1 13 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.736 2.248 26059 8842 1 13 . 1 1 17 17 GLY H H 17 7.227 7.227 8.673 -1.446 26059 8843 1 13 . 1 1 18 18 HIS N N 18 111.200 111.200 116.188 -4.988 26059 8844 1 13 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.022 0.598 26059 8845 1 13 . 1 1 18 18 HIS C C 18 172.400 172.400 172.517 -0.117 26059 8846 1 13 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.922 0.017 26059 8847 1 13 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.402 1.758 26059 8848 1 13 . 1 1 18 18 HIS H H 18 8.150 8.150 8.565 -0.415 26059 8849 1 13 . 1 1 19 19 ARG N N 19 117.800 117.800 119.975 -2.175 26059 8850 1 13 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.430 -0.330 26059 8851 1 13 . 1 1 19 19 ARG C C 19 175.800 175.800 174.658 1.142 26059 8852 1 13 . 1 1 19 19 ARG CA C 19 53.500 53.500 53.868 -0.368 26059 8853 1 13 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.636 0.014 26059 8854 1 13 . 1 1 19 19 ARG H H 19 9.010 9.010 8.640 0.370 26059 8855 1 13 . 1 1 20 20 ALA N N 20 120.390 120.390 123.168 -2.778 26059 8856 1 13 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.243 0.297 26059 8857 1 13 . 1 1 20 20 ALA C C 20 175.800 175.800 174.980 0.820 26059 8858 1 13 . 1 1 20 20 ALA CA C 20 51.590 51.590 51.308 0.282 26059 8859 1 13 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.752 0.998 26059 8860 1 13 . 1 1 20 20 ALA H H 20 8.070 8.070 8.677 -0.607 26059 8861 1 13 . 1 1 21 21 GLN N N 21 121.790 121.790 123.149 -1.359 26059 8862 1 13 . 1 1 21 21 GLN HA H 21 5.230 5.230 4.967 0.263 26059 8863 1 13 . 1 1 21 21 GLN CA C 21 54.330 54.330 54.089 0.241 26059 8864 1 13 . 1 1 21 21 GLN CB C 21 32.900 32.900 33.144 -0.244 26059 8865 1 13 . 1 1 21 21 GLN H H 21 9.240 9.240 8.897 0.343 26059 8866 1 13 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.563 -0.933 26059 8867 1 13 . 1 1 22 22 VAL C C 22 176.500 176.500 175.173 1.327 26059 8868 1 13 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.210 2.820 26059 8869 1 13 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.304 -2.704 26059 8870 1 13 . 1 1 23 23 ARG N N 23 127.840 127.840 125.379 2.461 26059 8871 1 13 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.714 -0.584 26059 8872 1 13 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.516 1.684 26059 8873 1 13 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.481 0.669 26059 8874 1 13 . 1 1 23 23 ARG H H 23 8.720 8.720 8.880 -0.160 26059 8875 1 13 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.116 -0.076 26059 8876 1 13 . 1 1 24 24 LYS C C 24 176.960 176.960 176.365 0.595 26059 8877 1 13 . 1 1 24 24 LYS CA C 24 58.800 58.800 58.065 0.735 26059 8878 1 13 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.531 -0.471 26059 8879 1 13 . 1 1 25 25 LYS N N 25 115.870 115.870 119.606 -3.736 26059 8880 1 13 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.678 0.152 26059 8881 1 13 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.157 -0.197 26059 8882 1 13 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.157 1.923 26059 8883 1 13 . 1 1 25 25 LYS H H 25 7.720 7.720 7.785 -0.065 26059 8884 1 13 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.605 0.225 26059 8885 1 13 . 1 1 26 26 PRO C C 26 177.400 177.400 176.854 0.546 26059 8886 1 13 . 1 1 26 26 PRO CA C 26 62.650 62.650 62.904 -0.253 26059 8887 1 13 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.348 0.042 26059 8888 1 13 . 1 1 27 27 THR N N 27 111.270 111.270 114.316 -3.046 26059 8889 1 13 . 1 1 27 27 THR HA H 27 4.530 4.530 4.304 0.226 26059 8890 1 13 . 1 1 27 27 THR C C 27 177.300 177.300 176.972 0.328 26059 8891 1 13 . 1 1 27 27 THR CA C 27 61.300 61.300 61.016 0.284 26059 8892 1 13 . 1 1 27 27 THR CB C 27 71.460 71.460 69.975 1.485 26059 8893 1 13 . 1 1 27 27 THR H H 27 8.380 8.380 8.081 0.299 26059 8894 1 13 . 1 1 28 28 VAL N N 28 121.170 121.170 118.602 2.568 26059 8895 1 13 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.962 -0.079 26059 8896 1 13 . 1 1 28 28 VAL C C 28 177.030 177.030 176.079 0.951 26059 8897 1 13 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.659 0.541 26059 8898 1 13 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.593 -0.193 26059 8899 1 13 . 1 1 28 28 VAL H H 28 8.910 8.910 8.474 0.436 26059 8900 1 13 . 1 1 29 29 GLU N N 29 116.800 116.800 118.224 -1.424 26059 8901 1 13 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.091 -0.171 26059 8902 1 13 . 1 1 29 29 GLU C C 29 176.200 176.200 176.805 -0.605 26059 8903 1 13 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.338 1.912 26059 8904 1 13 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.522 -0.352 26059 8905 1 13 . 1 1 29 29 GLU H H 29 7.990 7.990 7.969 0.021 26059 8906 1 13 . 1 1 30 30 GLY N N 30 105.500 105.500 108.278 -2.778 26059 8907 1 13 . 1 1 30 30 GLY C C 30 174.900 174.900 174.145 0.755 26059 8908 1 13 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.492 -1.032 26059 8909 1 13 . 1 1 30 30 GLY H H 30 7.950 7.950 7.827 0.123 26059 8910 1 13 . 1 1 31 31 PHE N N 31 119.300 119.300 119.140 0.160 26059 8911 1 13 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.844 -0.084 26059 8912 1 13 . 1 1 31 31 PHE C C 31 176.400 176.400 176.201 0.199 26059 8913 1 13 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.673 1.227 26059 8914 1 13 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.431 -3.931 26059 8915 1 13 . 1 1 31 31 PHE H H 31 7.520 7.520 7.516 0.004 26059 8916 1 13 . 1 1 32 32 THR N N 32 112.300 112.300 116.449 -4.149 26059 8917 1 13 . 1 1 32 32 THR HA H 32 4.330 4.330 4.341 -0.011 26059 8918 1 13 . 1 1 32 32 THR C C 32 175.200 175.200 174.413 0.787 26059 8919 1 13 . 1 1 32 32 THR CA C 32 62.780 62.780 63.252 -0.472 26059 8920 1 13 . 1 1 32 32 THR CB C 32 70.350 70.350 69.744 0.606 26059 8921 1 13 . 1 1 32 32 THR H H 32 7.770 7.770 8.826 -1.056 26059 8922 1 13 . 1 1 33 33 HIS N N 33 121.900 121.900 120.587 1.313 26059 8923 1 13 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.445 0.055 26059 8924 1 13 . 1 1 33 33 HIS C C 33 173.880 173.880 173.634 0.246 26059 8925 1 13 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.686 1.094 26059 8926 1 13 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.075 2.565 26059 8927 1 13 . 1 1 33 33 HIS H H 33 9.110 9.110 8.702 0.408 26059 8928 1 13 . 1 1 34 34 ASP N N 34 120.300 120.300 122.762 -2.462 26059 8929 1 13 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.389 0.011 26059 8930 1 13 . 1 1 34 34 ASP C C 34 175.100 175.100 175.310 -0.210 26059 8931 1 13 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.804 -0.494 26059 8932 1 13 . 1 1 34 34 ASP CB C 34 43.000 43.000 42.981 0.019 26059 8933 1 13 . 1 1 34 34 ASP H H 34 8.810 8.810 9.191 -0.381 26059 8934 1 13 . 1 1 35 35 TRP N N 35 119.800 119.800 121.806 -2.006 26059 8935 1 13 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.588 0.142 26059 8936 1 13 . 1 1 35 35 TRP C C 35 174.900 174.900 173.538 1.362 26059 8937 1 13 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.337 0.562 26059 8938 1 13 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.981 1.689 26059 8939 1 13 . 1 1 35 35 TRP H H 35 9.250 9.250 8.939 0.311 26059 8940 1 13 . 1 1 36 36 MET N N 36 120.980 120.980 123.058 -2.078 26059 8941 1 13 . 1 1 36 36 MET HA H 36 5.750 5.750 5.883 -0.133 26059 8942 1 13 . 1 1 36 36 MET C C 36 173.700 173.700 174.663 -0.963 26059 8943 1 13 . 1 1 36 36 MET CA C 36 54.830 54.830 53.974 0.856 26059 8944 1 13 . 1 1 36 36 MET CB C 36 35.220 35.220 36.092 -0.872 26059 8945 1 13 . 1 1 36 36 MET H H 36 9.080 9.080 9.050 0.030 26059 8946 1 13 . 1 1 37 37 VAL N N 37 126.220 126.220 122.234 3.986 26059 8947 1 13 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.073 0.237 26059 8948 1 13 . 1 1 37 37 VAL C C 37 172.300 172.300 174.441 -2.141 26059 8949 1 13 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.617 -1.077 26059 8950 1 13 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.238 1.832 26059 8951 1 13 . 1 1 37 37 VAL H H 37 9.080 9.080 8.825 0.255 26059 8952 1 13 . 1 1 38 38 PHE N N 38 120.640 120.640 118.436 2.204 26059 8953 1 13 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.059 -0.089 26059 8954 1 13 . 1 1 38 38 PHE C C 38 172.960 172.960 173.599 -0.639 26059 8955 1 13 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.418 0.712 26059 8956 1 13 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.536 0.464 26059 8957 1 13 . 1 1 38 38 PHE H H 38 8.320 8.320 8.559 -0.239 26059 8958 1 13 . 1 1 39 39 VAL N N 39 116.500 116.500 117.440 -0.940 26059 8959 1 13 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.836 -0.826 26059 8960 1 13 . 1 1 39 39 VAL C C 39 174.700 174.700 174.824 -0.124 26059 8961 1 13 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.060 1.580 26059 8962 1 13 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.164 0.236 26059 8963 1 13 . 1 1 39 39 VAL H H 39 8.580 8.580 8.998 -0.418 26059 8964 1 13 . 1 1 40 40 ARG N N 40 124.100 124.100 124.218 -0.118 26059 8965 1 13 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.168 -0.088 26059 8966 1 13 . 1 1 40 40 ARG C C 40 173.800 173.800 175.751 -1.951 26059 8967 1 13 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.428 0.872 26059 8968 1 13 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.398 -0.818 26059 8969 1 13 . 1 1 40 40 ARG H H 40 9.880 9.880 8.691 1.189 26059 8970 1 13 . 1 1 41 41 GLY N N 41 107.640 107.640 108.145 -0.505 26059 8971 1 13 . 1 1 41 41 GLY CA C 41 43.970 43.970 43.149 0.821 26059 8972 1 13 . 1 1 41 41 GLY H H 41 8.910 8.910 8.018 0.892 26059 8973 1 13 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.436 0.054 26059 8974 1 13 . 1 1 42 42 PRO C C 42 177.300 177.300 175.924 1.376 26059 8975 1 13 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.276 -0.836 26059 8976 1 13 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.448 0.662 26059 8977 1 13 . 1 1 43 43 GLU N N 43 121.050 121.050 123.136 -2.086 26059 8978 1 13 . 1 1 43 43 GLU HA H 43 3.790 3.790 4.096 -0.306 26059 8979 1 13 . 1 1 43 43 GLU C C 43 176.110 176.110 175.703 0.407 26059 8980 1 13 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.686 0.164 26059 8981 1 13 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.245 0.605 26059 8982 1 13 . 1 1 43 43 GLU H H 43 9.060 9.060 9.048 0.012 26059 8983 1 13 . 1 1 44 44 HIS N N 44 114.100 114.100 110.367 3.733 26059 8984 1 13 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.030 0.321 26059 8985 1 13 . 1 1 44 44 HIS C C 44 175.170 175.170 175.054 0.116 26059 8986 1 13 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.318 0.332 26059 8987 1 13 . 1 1 44 44 HIS CB C 44 28.370 28.370 29.248 -0.878 26059 8988 1 13 . 1 1 44 44 HIS H H 44 8.420 8.420 8.650 -0.230 26059 8989 1 13 . 1 1 45 45 SER N N 45 115.540 115.540 116.705 -1.165 26059 8990 1 13 . 1 1 45 45 SER HA H 45 4.560 4.560 4.334 0.226 26059 8991 1 13 . 1 1 45 45 SER C C 45 173.700 173.700 173.913 -0.213 26059 8992 1 13 . 1 1 45 45 SER CA C 45 58.710 58.710 59.739 -1.029 26059 8993 1 13 . 1 1 45 45 SER CB C 45 64.500 64.500 63.939 0.561 26059 8994 1 13 . 1 1 45 45 SER H H 45 7.870 7.870 7.434 0.436 26059 8995 1 13 . 1 1 46 46 ASN N N 46 123.900 123.900 122.680 1.220 26059 8996 1 13 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.672 0.448 26059 8997 1 13 . 1 1 46 46 ASN C C 46 176.300 176.300 175.823 0.477 26059 8998 1 13 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.664 -0.974 26059 8999 1 13 . 1 1 46 46 ASN CB C 46 38.730 38.730 38.796 -0.066 26059 9000 1 13 . 1 1 46 46 ASN H H 46 9.480 9.480 8.856 0.624 26059 9001 1 13 . 1 1 47 47 ILE N N 47 115.240 115.240 119.149 -3.909 26059 9002 1 13 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.024 -0.084 26059 9003 1 13 . 1 1 47 47 ILE C C 47 176.000 176.000 177.106 -1.106 26059 9004 1 13 . 1 1 47 47 ILE CA C 47 63.200 63.200 62.065 1.135 26059 9005 1 13 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.761 -1.061 26059 9006 1 13 . 1 1 47 47 ILE H H 47 8.170 8.170 8.446 -0.276 26059 9007 1 13 . 1 1 48 48 GLN N N 48 123.200 123.200 120.809 2.391 26059 9008 1 13 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.114 0.166 26059 9009 1 13 . 1 1 48 48 GLN C C 48 175.670 175.670 176.663 -0.993 26059 9010 1 13 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.717 -0.817 26059 9011 1 13 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.863 -0.873 26059 9012 1 13 . 1 1 48 48 GLN H H 48 8.850 8.850 8.434 0.416 26059 9013 1 13 . 1 1 49 49 HIS N N 49 115.400 115.400 116.228 -0.828 26059 9014 1 13 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.329 0.241 26059 9015 1 13 . 1 1 49 49 HIS C C 49 176.380 176.380 177.151 -0.771 26059 9016 1 13 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.438 -0.688 26059 9017 1 13 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.426 1.194 26059 9018 1 13 . 1 1 49 49 HIS H H 49 7.400 7.400 7.949 -0.549 26059 9019 1 13 . 1 1 50 50 PHE N N 50 109.800 109.800 113.603 -3.803 26059 9020 1 13 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.826 0.404 26059 9021 1 13 . 1 1 50 50 PHE C C 50 173.800 173.800 174.820 -1.020 26059 9022 1 13 . 1 1 50 50 PHE CA C 50 56.660 56.660 56.993 -0.333 26059 9023 1 13 . 1 1 50 50 PHE CB C 50 41.000 41.000 39.684 1.316 26059 9024 1 13 . 1 1 50 50 PHE H H 50 7.570 7.570 7.626 -0.056 26059 9025 1 13 . 1 1 51 51 VAL N N 51 127.810 127.810 121.495 6.315 26059 9026 1 13 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.699 -0.329 26059 9027 1 13 . 1 1 51 51 VAL C C 51 174.500 174.500 175.177 -0.677 26059 9028 1 13 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.561 0.439 26059 9029 1 13 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.674 0.606 26059 9030 1 13 . 1 1 51 51 VAL H H 51 7.810 7.810 8.133 -0.323 26059 9031 1 13 . 1 1 52 52 GLU N N 52 130.700 130.700 128.941 1.759 26059 9032 1 13 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.370 -0.390 26059 9033 1 13 . 1 1 52 52 GLU C C 52 175.400 175.400 175.362 0.038 26059 9034 1 13 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.781 0.219 26059 9035 1 13 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.310 0.270 26059 9036 1 13 . 1 1 52 52 GLU H H 52 9.380 9.380 8.440 0.940 26059 9037 1 13 . 1 1 53 53 LYS N N 53 109.200 109.200 114.442 -5.242 26059 9038 1 13 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.831 -0.031 26059 9039 1 13 . 1 1 53 53 LYS C C 53 172.300 172.300 174.706 -2.406 26059 9040 1 13 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.880 -0.040 26059 9041 1 13 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.367 -1.117 26059 9042 1 13 . 1 1 53 53 LYS H H 53 7.190 7.190 7.350 -0.160 26059 9043 1 13 . 1 1 54 54 VAL N N 54 120.380 120.380 119.469 0.911 26059 9044 1 13 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.796 -0.026 26059 9045 1 13 . 1 1 54 54 VAL C C 54 173.600 173.600 173.944 -0.344 26059 9046 1 13 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.106 0.934 26059 9047 1 13 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.970 -1.270 26059 9048 1 13 . 1 1 54 54 VAL H H 54 8.450 8.450 8.325 0.125 26059 9049 1 13 . 1 1 55 55 VAL N N 55 126.920 126.920 121.098 5.822 26059 9050 1 13 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.161 -0.461 26059 9051 1 13 . 1 1 55 55 VAL C C 55 173.800 173.800 173.429 0.371 26059 9052 1 13 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.459 1.411 26059 9053 1 13 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.903 -1.803 26059 9054 1 13 . 1 1 55 55 VAL H H 55 9.260 9.260 8.516 0.744 26059 9055 1 13 . 1 1 56 56 PHE N N 56 126.130 126.130 126.838 -0.708 26059 9056 1 13 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.845 -0.123 26059 9057 1 13 . 1 1 56 56 PHE C C 56 174.000 174.000 174.855 -0.855 26059 9058 1 13 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.181 0.399 26059 9059 1 13 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.795 0.095 26059 9060 1 13 . 1 1 56 56 PHE H H 56 9.290 9.290 8.760 0.530 26059 9061 1 13 . 1 1 57 57 HIS N N 57 124.180 124.180 125.268 -1.088 26059 9062 1 13 . 1 1 57 57 HIS HA H 57 4.800 4.800 5.011 -0.211 26059 9063 1 13 . 1 1 57 57 HIS C C 57 174.700 174.700 175.134 -0.434 26059 9064 1 13 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.504 -1.184 26059 9065 1 13 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.180 1.920 26059 9066 1 13 . 1 1 57 57 HIS H H 57 8.690 8.690 8.265 0.425 26059 9067 1 13 . 1 1 58 58 LEU N N 58 122.050 122.050 123.782 -1.732 26059 9068 1 13 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.553 -0.243 26059 9069 1 13 . 1 1 58 58 LEU C C 58 174.400 174.400 176.973 -2.573 26059 9070 1 13 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.215 1.195 26059 9071 1 13 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.892 -1.732 26059 9072 1 13 . 1 1 58 58 LEU H H 58 9.050 9.050 8.827 0.223 26059 9073 1 13 . 1 1 59 59 HIS N N 59 118.510 118.510 118.766 -0.256 26059 9074 1 13 . 1 1 59 59 HIS C C 59 175.300 175.300 176.837 -1.537 26059 9075 1 13 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.962 3.147 26059 9076 1 13 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.095 -0.165 26059 9077 1 13 . 1 1 59 59 HIS H H 59 5.160 5.160 7.844 -2.684 26059 9078 1 13 . 1 1 60 60 GLU N N 60 122.190 122.190 124.035 -1.845 26059 9079 1 13 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.131 -0.171 26059 9080 1 13 . 1 1 60 60 GLU C C 60 175.130 175.130 177.519 -2.389 26059 9081 1 13 . 1 1 60 60 GLU CA C 60 59.010 59.010 58.974 0.036 26059 9082 1 13 . 1 1 60 60 GLU CB C 60 28.820 28.820 29.126 -0.306 26059 9083 1 13 . 1 1 60 60 GLU H H 60 7.960 7.960 8.619 -0.659 26059 9084 1 13 . 1 1 61 61 SER N N 61 116.940 116.940 112.370 4.570 26059 9085 1 13 . 1 1 61 61 SER HA H 61 4.200 4.200 4.434 -0.234 26059 9086 1 13 . 1 1 61 61 SER CA C 61 60.010 60.010 59.287 0.723 26059 9087 1 13 . 1 1 61 61 SER CB C 61 63.140 63.140 63.843 -0.703 26059 9088 1 13 . 1 1 61 61 SER H H 61 8.540 8.540 8.239 0.301 26059 9089 1 13 . 1 1 62 62 PHE N N 62 123.700 123.700 122.153 1.547 26059 9090 1 13 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.686 -0.096 26059 9091 1 13 . 1 1 62 62 PHE CA C 62 57.400 57.400 56.201 1.199 26059 9092 1 13 . 1 1 62 62 PHE CB C 62 38.400 38.400 38.926 -0.526 26059 9093 1 13 . 1 1 62 62 PHE H H 62 8.640 8.640 8.019 0.621 26059 9094 1 13 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.487 -0.076 26059 9095 1 13 . 1 1 63 63 PRO C C 63 176.400 176.400 176.188 0.212 26059 9096 1 13 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.509 -0.909 26059 9097 1 13 . 1 1 63 63 PRO CB C 63 31.860 31.860 31.885 -0.025 26059 9098 1 13 . 1 1 64 64 ARG N N 64 116.840 116.840 120.651 -3.811 26059 9099 1 13 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.117 -0.017 26059 9100 1 13 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.052 -0.442 26059 9101 1 13 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.733 0.097 26059 9102 1 13 . 1 1 64 64 ARG H H 64 8.890 8.890 8.775 0.115 26059 9103 1 13 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.344 -0.354 26059 9104 1 13 . 1 1 65 65 PRO C C 65 175.800 175.800 176.648 -0.848 26059 9105 1 13 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.677 1.133 26059 9106 1 13 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.248 -0.369 26059 9107 1 13 . 1 1 66 66 LYS N N 66 119.035 119.035 119.382 -0.347 26059 9108 1 13 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.578 0.032 26059 9109 1 13 . 1 1 66 66 LYS C C 66 175.400 175.400 175.658 -0.258 26059 9110 1 13 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.194 0.259 26059 9111 1 13 . 1 1 66 66 LYS CB C 66 31.730 31.730 33.421 -1.691 26059 9112 1 13 . 1 1 66 66 LYS H H 66 7.630 7.630 7.918 -0.288 26059 9113 1 13 . 1 1 67 67 ARG N N 67 127.394 127.394 128.282 -0.888 26059 9114 1 13 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.646 0.094 26059 9115 1 13 . 1 1 67 67 ARG C C 67 174.500 174.500 175.321 -0.821 26059 9116 1 13 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.928 -0.128 26059 9117 1 13 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.816 -0.102 26059 9118 1 13 . 1 1 67 67 ARG H H 67 8.855 8.855 8.504 0.351 26059 9119 1 13 . 1 1 68 68 VAL N N 68 124.388 124.388 121.865 2.523 26059 9120 1 13 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.183 -0.603 26059 9121 1 13 . 1 1 68 68 VAL C C 68 176.850 176.850 175.928 0.922 26059 9122 1 13 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.751 1.322 26059 9123 1 13 . 1 1 68 68 VAL CB C 68 33.604 33.604 32.686 0.918 26059 9124 1 13 . 1 1 68 68 VAL H H 68 8.681 8.681 8.212 0.469 26059 9125 1 13 . 1 1 69 69 CYS N N 69 127.080 127.080 127.968 -0.888 26059 9126 1 13 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.847 0.223 26059 9127 1 13 . 1 1 69 69 CYS CA C 69 58.346 58.346 57.703 0.643 26059 9128 1 13 . 1 1 69 69 CYS CB C 69 30.170 30.170 28.833 1.337 26059 9129 1 13 . 1 1 69 69 CYS H H 69 9.455 9.455 9.115 0.340 26059 9130 1 13 . 1 1 70 70 LYS N N 70 125.480 125.480 124.027 1.453 26059 9131 1 13 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.635 -0.145 26059 9132 1 13 . 1 1 70 70 LYS C C 70 174.300 174.300 176.573 -2.273 26059 9133 1 13 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.126 0.235 26059 9134 1 13 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.451 -0.281 26059 9135 1 13 . 1 1 70 70 LYS H H 70 9.050 9.050 8.627 0.423 26059 9136 1 13 . 1 1 71 71 ASP N N 71 116.940 116.940 121.893 -4.953 26059 9137 1 13 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.736 0.364 26059 9138 1 13 . 1 1 71 71 ASP CA C 71 51.080 51.080 53.311 -2.231 26059 9139 1 13 . 1 1 71 71 ASP CB C 71 43.380 43.380 41.143 2.237 26059 9140 1 13 . 1 1 71 71 ASP H H 71 7.620 7.620 8.120 -0.500 26059 9141 1 13 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.247 -0.987 26059 9142 1 13 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.699 -2.049 26059 9143 1 13 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.691 -0.651 26059 9144 1 13 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.924 0.176 26059 9145 1 13 . 1 1 73 73 PRO C C 73 174.700 174.700 176.524 -1.824 26059 9146 1 13 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.698 -2.008 26059 9147 1 13 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.647 2.393 26059 9148 1 13 . 1 1 74 74 TYR N N 74 125.400 125.400 124.320 1.080 26059 9149 1 13 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.383 0.467 26059 9150 1 13 . 1 1 74 74 TYR C C 74 172.900 172.900 175.357 -2.457 26059 9151 1 13 . 1 1 74 74 TYR CA C 74 55.670 55.670 58.957 -3.287 26059 9152 1 13 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.618 -1.218 26059 9153 1 13 . 1 1 74 74 TYR H H 74 8.960 8.960 8.302 0.658 26059 9154 1 13 . 1 1 75 75 LYS N N 75 121.400 121.400 119.583 1.817 26059 9155 1 13 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.550 0.040 26059 9156 1 13 . 1 1 75 75 LYS C C 75 173.800 173.800 174.965 -1.165 26059 9157 1 13 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.124 0.526 26059 9158 1 13 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.168 -1.278 26059 9159 1 13 . 1 1 75 75 LYS H H 75 7.670 7.670 7.943 -0.273 26059 9160 1 13 . 1 1 76 76 VAL N N 76 119.800 119.800 122.262 -2.462 26059 9161 1 13 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.283 -0.393 26059 9162 1 13 . 1 1 76 76 VAL C C 76 173.900 173.900 174.367 -0.467 26059 9163 1 13 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.452 1.278 26059 9164 1 13 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.301 0.239 26059 9165 1 13 . 1 1 76 76 VAL H H 76 8.180 8.180 8.665 -0.485 26059 9166 1 13 . 1 1 77 77 GLU N N 77 126.190 126.190 126.383 -0.193 26059 9167 1 13 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.090 -0.140 26059 9168 1 13 . 1 1 77 77 GLU C C 77 174.700 174.700 175.411 -0.711 26059 9169 1 13 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.962 -0.022 26059 9170 1 13 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.653 -0.103 26059 9171 1 13 . 1 1 77 77 GLU H H 77 8.270 8.270 8.729 -0.459 26059 9172 1 13 . 1 1 78 78 GLU N N 78 126.180 126.180 123.595 2.585 26059 9173 1 13 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.588 -0.138 26059 9174 1 13 . 1 1 78 78 GLU C C 78 175.400 175.400 173.543 1.857 26059 9175 1 13 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.112 -0.112 26059 9176 1 13 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.865 3.235 26059 9177 1 13 . 1 1 78 78 GLU H H 78 7.870 7.870 8.079 -0.209 26059 9178 1 13 . 1 1 79 79 SER N N 79 112.109 112.109 114.539 -2.430 26059 9179 1 13 . 1 1 79 79 SER HA H 79 5.560 5.560 5.573 -0.013 26059 9180 1 13 . 1 1 79 79 SER C C 79 172.490 172.490 173.413 -0.923 26059 9181 1 13 . 1 1 79 79 SER CA C 79 57.754 57.754 55.850 1.903 26059 9182 1 13 . 1 1 79 79 SER CB C 79 65.861 65.861 65.735 0.126 26059 9183 1 13 . 1 1 79 79 SER H H 79 7.714 7.714 8.372 -0.658 26059 9184 1 13 . 1 1 80 80 GLY N N 80 106.048 106.048 109.921 -3.873 26059 9185 1 13 . 1 1 80 80 GLY C C 80 172.630 172.630 172.100 0.530 26059 9186 1 13 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.193 0.507 26059 9187 1 13 . 1 1 80 80 GLY H H 80 8.828 8.828 8.798 0.030 26059 9188 1 13 . 1 1 81 81 TYR N N 81 115.280 115.280 116.029 -0.749 26059 9189 1 13 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.449 0.231 26059 9190 1 13 . 1 1 81 81 TYR C C 81 174.100 174.100 174.426 -0.326 26059 9191 1 13 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.000 -1.500 26059 9192 1 13 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.663 0.337 26059 9193 1 13 . 1 1 81 81 TYR H H 81 8.770 8.770 8.024 0.746 26059 9194 1 13 . 1 1 82 82 ALA N N 82 122.350 122.350 122.614 -0.264 26059 9195 1 13 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.561 -0.121 26059 9196 1 13 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.181 -0.141 26059 9197 1 13 . 1 1 82 82 ALA CB C 82 22.400 22.400 21.077 1.323 26059 9198 1 13 . 1 1 82 82 ALA H H 82 7.160 7.160 7.119 0.041 26059 9199 1 13 . 1 1 83 83 GLY N N 83 107.100 107.100 108.609 -1.509 26059 9200 1 13 . 1 1 83 83 GLY C C 83 172.500 172.500 173.663 -1.163 26059 9201 1 13 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.575 0.035 26059 9202 1 13 . 1 1 83 83 GLY H H 83 8.220 8.220 8.305 -0.085 26059 9203 1 13 . 1 1 84 84 PHE N N 84 111.660 111.660 114.752 -3.092 26059 9204 1 13 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.507 0.183 26059 9205 1 13 . 1 1 84 84 PHE C C 84 172.460 172.460 173.135 -0.675 26059 9206 1 13 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.890 0.610 26059 9207 1 13 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.648 -1.068 26059 9208 1 13 . 1 1 84 84 PHE H H 84 7.700 7.700 7.988 -0.288 26059 9209 1 13 . 1 1 85 85 ILE N N 85 117.810 117.810 121.611 -3.801 26059 9210 1 13 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.032 0.278 26059 9211 1 13 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.910 -1.570 26059 9212 1 13 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.571 -1.311 26059 9213 1 13 . 1 1 85 85 ILE H H 85 8.340 8.340 8.304 0.036 26059 9214 1 13 . 1 1 86 86 LEU N N 86 108.130 108.130 129.411 -21.281 26059 9215 1 13 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.942 0.038 26059 9216 1 13 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.870 2.330 26059 9217 1 13 . 1 1 86 86 LEU CB C 86 45.300 45.300 44.706 0.594 26059 9218 1 13 . 1 1 86 86 LEU H H 86 9.900 9.900 8.692 1.208 26059 9219 1 13 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.697 0.403 26059 9220 1 13 . 1 1 87 87 PRO C C 87 175.340 175.340 175.954 -0.614 26059 9221 1 13 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.044 0.066 26059 9222 1 13 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.478 0.082 26059 9223 1 13 . 1 1 88 88 ILE N N 88 126.000 126.000 126.722 -0.722 26059 9224 1 13 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.498 0.292 26059 9225 1 13 . 1 1 88 88 ILE C C 88 176.100 176.100 174.886 1.214 26059 9226 1 13 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.323 0.237 26059 9227 1 13 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.944 2.056 26059 9228 1 13 . 1 1 88 88 ILE H H 88 9.380 9.380 9.063 0.317 26059 9229 1 13 . 1 1 89 89 GLU N N 89 123.900 123.900 127.818 -3.918 26059 9230 1 13 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.064 0.136 26059 9231 1 13 . 1 1 89 89 GLU C C 89 173.800 173.800 175.306 -1.506 26059 9232 1 13 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.395 -0.425 26059 9233 1 13 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.934 2.446 26059 9234 1 13 . 1 1 89 89 GLU H H 89 9.320 9.320 8.425 0.895 26059 9235 1 13 . 1 1 90 90 VAL N N 90 123.980 123.980 124.811 -0.831 26059 9236 1 13 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.889 0.271 26059 9237 1 13 . 1 1 90 90 VAL C C 90 174.800 174.800 174.427 0.373 26059 9238 1 13 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.874 -0.484 26059 9239 1 13 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.565 -0.075 26059 9240 1 13 . 1 1 90 90 VAL H H 90 8.630 8.630 7.887 0.743 26059 9241 1 13 . 1 1 91 91 TYR N N 91 124.230 124.230 125.880 -1.650 26059 9242 1 13 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.904 -0.244 26059 9243 1 13 . 1 1 91 91 TYR C C 91 176.800 176.800 175.785 1.015 26059 9244 1 13 . 1 1 91 91 TYR CA C 91 56.700 56.700 56.551 0.149 26059 9245 1 13 . 1 1 91 91 TYR CB C 91 40.240 40.240 40.149 0.091 26059 9246 1 13 . 1 1 91 91 TYR H H 91 8.640 8.640 8.753 -0.113 26059 9247 1 13 . 1 1 92 92 PHE N N 92 121.200 121.200 119.023 2.177 26059 9248 1 13 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.277 0.383 26059 9249 1 13 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.514 0.995 26059 9250 1 13 . 1 1 92 92 PHE CB C 92 42.000 42.000 43.415 -1.415 26059 9251 1 13 . 1 1 92 92 PHE H H 92 8.750 8.750 9.033 -0.283 26059 9252 1 13 . 1 1 93 93 LYS N N 93 123.450 123.450 123.133 0.317 26059 9253 1 13 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.706 -0.106 26059 9254 1 13 . 1 1 93 93 LYS C C 93 174.200 174.200 175.373 -1.173 26059 9255 1 13 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.295 -0.115 26059 9256 1 13 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.643 0.037 26059 9257 1 13 . 1 1 93 93 LYS H H 93 8.560 8.560 8.834 -0.274 26059 9258 1 13 . 1 1 94 94 ASN N N 94 118.800 118.800 123.282 -4.482 26059 9259 1 13 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.886 -0.446 26059 9260 1 13 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.372 -1.162 26059 9261 1 13 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.370 -1.570 26059 9262 1 13 . 1 1 94 94 ASN H H 94 7.820 7.820 8.255 -0.435 26059 9263 1 13 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.400 -0.070 26059 9264 1 13 . 1 1 95 95 LYS C C 95 175.800 175.800 175.534 0.266 26059 9265 1 13 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.959 -0.749 26059 9266 1 13 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.793 0.217 26059 9267 1 13 . 1 1 96 96 GLU N N 96 118.330 118.330 120.741 -2.411 26059 9268 1 13 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.317 0.193 26059 9269 1 13 . 1 1 96 96 GLU C C 96 173.200 173.200 176.071 -2.871 26059 9270 1 13 . 1 1 96 96 GLU CA C 96 54.100 54.100 55.017 -0.917 26059 9271 1 13 . 1 1 96 96 GLU CB C 96 31.470 31.470 29.836 1.634 26059 9272 1 13 . 1 1 96 96 GLU H H 96 7.120 7.120 7.765 -0.645 26059 9273 1 13 . 1 1 97 97 GLU N N 97 115.630 115.630 120.488 -4.858 26059 9274 1 13 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.152 0.278 26059 9275 1 13 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.262 -1.402 26059 9276 1 13 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.496 0.774 26059 9277 1 13 . 1 1 97 97 GLU H H 97 8.060 8.060 8.347 -0.287 26059 9278 1 13 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.235 0.765 26059 9279 1 13 . 1 1 98 98 PRO C C 98 175.900 175.900 176.933 -1.033 26059 9280 1 13 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.331 -2.171 26059 9281 1 13 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.785 2.215 26059 9282 1 13 . 1 1 99 99 ARG N N 99 122.800 122.800 120.571 2.229 26059 9283 1 13 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.336 0.294 26059 9284 1 13 . 1 1 99 99 ARG C C 99 175.800 175.800 175.663 0.137 26059 9285 1 13 . 1 1 99 99 ARG CA C 99 56.200 56.200 56.271 -0.071 26059 9286 1 13 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.322 0.088 26059 9287 1 13 . 1 1 99 99 ARG H H 99 8.602 8.602 8.724 -0.122 26059 9288 1 13 . 1 1 100 100 LYS N N 100 113.220 113.220 115.459 -2.239 26059 9289 1 13 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.801 0.139 26059 9290 1 13 . 1 1 100 100 LYS C C 100 174.100 174.100 174.629 -0.529 26059 9291 1 13 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.843 -0.452 26059 9292 1 13 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.647 -0.927 26059 9293 1 13 . 1 1 100 100 LYS H H 100 7.650 7.650 7.241 0.409 26059 9294 1 13 . 1 1 101 101 VAL N N 101 116.230 116.230 117.185 -0.955 26059 9295 1 13 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.368 -0.098 26059 9296 1 13 . 1 1 101 101 VAL C C 101 171.600 171.600 173.469 -1.869 26059 9297 1 13 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.237 1.023 26059 9298 1 13 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.398 -0.218 26059 9299 1 13 . 1 1 101 101 VAL H H 101 8.120 8.120 8.334 -0.214 26059 9300 1 13 . 1 1 102 102 ARG N N 102 124.980 124.980 123.935 1.045 26059 9301 1 13 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.663 0.497 26059 9302 1 13 . 1 1 102 102 ARG C C 102 174.340 174.340 174.827 -0.487 26059 9303 1 13 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.827 -1.077 26059 9304 1 13 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.498 1.852 26059 9305 1 13 . 1 1 102 102 ARG H H 102 7.930 7.930 8.060 -0.130 26059 9306 1 13 . 1 1 103 103 PHE N N 103 124.590 124.590 125.418 -0.828 26059 9307 1 13 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.694 0.098 26059 9308 1 13 . 1 1 103 103 PHE C C 103 174.280 174.280 174.524 -0.244 26059 9309 1 13 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.603 0.877 26059 9310 1 13 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.627 1.623 26059 9311 1 13 . 1 1 103 103 PHE H H 103 9.390 9.390 9.114 0.276 26059 9312 1 13 . 1 1 104 104 ASP N N 104 124.700 124.700 124.266 0.434 26059 9313 1 13 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.612 0.187 26059 9314 1 13 . 1 1 104 104 ASP C C 104 174.500 174.500 174.577 -0.077 26059 9315 1 13 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.759 0.631 26059 9316 1 13 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.651 -0.421 26059 9317 1 13 . 1 1 104 104 ASP H H 104 9.010 9.010 8.980 0.030 26059 9318 1 13 . 1 1 105 105 TYR N N 105 129.840 129.840 124.664 5.176 26059 9319 1 13 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.706 -0.636 26059 9320 1 13 . 1 1 105 105 TYR C C 105 173.100 173.100 172.986 0.114 26059 9321 1 13 . 1 1 105 105 TYR CA C 105 58.680 58.680 57.232 1.448 26059 9322 1 13 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.600 -0.750 26059 9323 1 13 . 1 1 105 105 TYR H H 105 8.140 8.140 8.033 0.107 26059 9324 1 13 . 1 1 106 106 ASP N N 106 126.800 126.800 126.234 0.566 26059 9325 1 13 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.385 -0.165 26059 9326 1 13 . 1 1 106 106 ASP C C 106 172.900 172.900 174.578 -1.678 26059 9327 1 13 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.271 0.239 26059 9328 1 13 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.576 -2.076 26059 9329 1 13 . 1 1 106 106 ASP H H 106 7.730 7.730 8.130 -0.400 26059 9330 1 13 . 1 1 107 107 LEU N N 107 132.150 132.150 128.512 3.638 26059 9331 1 13 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.516 -0.676 26059 9332 1 13 . 1 1 107 107 LEU C C 107 172.100 172.100 174.829 -2.729 26059 9333 1 13 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.461 -0.261 26059 9334 1 13 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.604 -1.364 26059 9335 1 13 . 1 1 107 107 LEU H H 107 7.770 7.770 7.787 -0.017 26059 9336 1 13 . 1 1 108 108 PHE N N 108 118.960 118.960 121.661 -2.701 26059 9337 1 13 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.823 -0.133 26059 9338 1 13 . 1 1 108 108 PHE C C 108 174.300 174.300 173.636 0.664 26059 9339 1 13 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.609 -0.919 26059 9340 1 13 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.756 -0.466 26059 9341 1 13 . 1 1 108 108 PHE H H 108 6.060 6.060 7.362 -1.302 26059 9342 1 13 . 1 1 109 109 LEU N N 109 118.900 118.900 119.984 -1.084 26059 9343 1 13 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.533 -0.133 26059 9344 1 13 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.211 -1.051 26059 9345 1 13 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.385 -2.305 26059 9346 1 13 . 1 1 109 109 LEU H H 109 8.388 8.388 8.104 0.284 26059 9347 1 13 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.376 0.064 26059 9348 1 13 . 1 1 111 111 LEU C C 111 177.300 177.300 177.632 -0.332 26059 9349 1 13 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.633 -1.413 26059 9350 1 13 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.680 1.190 26059 9351 1 13 . 1 1 112 112 GLU N N 112 120.660 120.660 120.652 0.008 26059 9352 1 13 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.187 -0.017 26059 9353 1 13 . 1 1 112 112 GLU CA C 112 58.460 58.460 57.584 0.876 26059 9354 1 13 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.330 -0.140 26059 9355 1 13 . 1 1 112 112 GLU H H 112 8.780 8.780 8.792 -0.012 26059 9356 1 13 . 1 1 113 113 GLY C C 113 173.900 173.900 174.150 -0.250 26059 9357 1 13 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.989 -0.039 26059 9358 1 13 . 1 1 114 114 HIS N N 114 120.890 120.890 120.292 0.598 26059 9359 1 13 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.958 -0.052 26059 9360 1 13 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.838 0.932 26059 9361 1 13 . 1 1 114 114 HIS CB C 114 30.590 30.590 31.507 -0.917 26059 9362 1 13 . 1 1 114 114 HIS H H 114 7.934 7.934 7.889 0.045 26059 9363 1 13 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.495 0.305 26059 9364 1 13 . 1 1 115 115 PRO CA C 115 62.090 62.090 62.639 -0.549 26059 9365 1 13 . 1 1 115 115 PRO CB C 115 30.680 30.680 30.740 -0.060 26059 9366 1 13 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.976 -0.766 26059 9367 1 13 . 1 1 116 116 PRO C C 116 176.600 176.600 175.897 0.703 26059 9368 1 13 . 1 1 116 116 PRO CB C 116 32.300 32.300 33.894 -1.594 26059 9369 1 13 . 1 1 117 117 VAL N N 117 127.480 127.480 120.316 7.164 26059 9370 1 13 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.000 -0.210 26059 9371 1 13 . 1 1 117 117 VAL CA C 117 62.700 62.700 60.876 1.824 26059 9372 1 13 . 1 1 117 117 VAL CB C 117 33.200 33.200 32.669 0.531 26059 9373 1 13 . 1 1 117 117 VAL H H 117 8.890 8.890 8.436 0.454 26059 9374 1 13 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.098 -0.108 26059 9375 1 13 . 1 1 118 118 ASN C C 118 172.700 172.700 173.716 -1.016 26059 9376 1 13 . 1 1 118 118 ASN CA C 118 53.360 53.360 52.902 0.458 26059 9377 1 13 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.060 -0.860 26059 9378 1 13 . 1 1 119 119 HIS N N 119 124.930 124.930 126.000 -1.070 26059 9379 1 13 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.082 -0.262 26059 9380 1 13 . 1 1 119 119 HIS C C 119 173.500 173.500 173.103 0.397 26059 9381 1 13 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.118 1.852 26059 9382 1 13 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.376 0.894 26059 9383 1 13 . 1 1 119 119 HIS H H 119 8.790 8.790 8.355 0.435 26059 9384 1 13 . 1 1 120 120 LEU N N 120 128.280 128.280 124.457 3.823 26059 9385 1 13 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.631 0.319 26059 9386 1 13 . 1 1 120 120 LEU C C 120 174.030 174.030 175.648 -1.618 26059 9387 1 13 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.557 0.443 26059 9388 1 13 . 1 1 120 120 LEU CB C 120 46.600 46.600 45.060 1.540 26059 9389 1 13 . 1 1 120 120 LEU H H 120 7.460 7.460 8.339 -0.879 26059 9390 1 13 . 1 1 121 121 ARG N N 121 128.060 128.060 122.211 5.849 26059 9391 1 13 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.614 0.026 26059 9392 1 13 . 1 1 121 121 ARG C C 121 173.400 173.400 173.977 -0.577 26059 9393 1 13 . 1 1 121 121 ARG CA C 121 54.360 54.360 55.124 -0.764 26059 9394 1 13 . 1 1 121 121 ARG CB C 121 34.260 34.260 34.441 -0.181 26059 9395 1 13 . 1 1 121 121 ARG H H 121 9.860 9.860 8.478 1.382 26059 9396 1 13 . 1 1 122 122 CYS N N 122 125.290 125.290 123.401 1.889 26059 9397 1 13 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.376 -0.356 26059 9398 1 13 . 1 1 122 122 CYS C C 122 174.600 174.600 173.978 0.622 26059 9399 1 13 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.103 1.187 26059 9400 1 13 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.799 -1.769 26059 9401 1 13 . 1 1 122 122 CYS H H 122 8.835 8.835 8.666 0.169 26059 9402 1 13 . 1 1 123 123 GLU N N 123 125.920 125.920 124.490 1.430 26059 9403 1 13 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.518 0.162 26059 9404 1 13 . 1 1 123 123 GLU C C 123 174.500 174.500 174.878 -0.378 26059 9405 1 13 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.631 -0.211 26059 9406 1 13 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.433 0.150 26059 9407 1 13 . 1 1 123 123 GLU H H 123 8.970 8.970 9.022 -0.052 26059 9408 1 13 . 1 1 124 124 LYS N N 124 121.837 121.837 125.831 -3.994 26059 9409 1 13 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.891 0.069 26059 9410 1 13 . 1 1 124 124 LYS C C 124 175.700 175.700 176.155 -0.455 26059 9411 1 13 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.687 -0.330 26059 9412 1 13 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.408 0.781 26059 9413 1 13 . 1 1 124 124 LYS H H 124 8.652 8.652 8.538 0.114 26059 9414 1 13 . 1 1 125 125 LEU N N 125 127.000 127.000 129.977 -2.977 26059 9415 1 13 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.466 0.184 26059 9416 1 13 . 1 1 125 125 LEU C C 125 175.110 175.110 175.419 -0.309 26059 9417 1 13 . 1 1 125 125 LEU CA C 125 53.854 53.854 54.095 -0.241 26059 9418 1 13 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.672 1.595 26059 9419 1 13 . 1 1 125 125 LEU H H 125 9.175 9.175 9.154 0.021 26059 9420 1 13 . 1 1 126 126 THR N N 126 117.779 117.779 120.470 -2.691 26059 9421 1 13 . 1 1 126 126 THR HA H 126 4.650 4.650 4.608 0.042 26059 9422 1 13 . 1 1 126 126 THR C C 126 173.200 173.200 173.596 -0.396 26059 9423 1 13 . 1 1 126 126 THR CA C 126 62.036 62.036 61.875 0.161 26059 9424 1 13 . 1 1 126 126 THR CB C 126 70.284 70.284 69.637 0.647 26059 9425 1 13 . 1 1 126 126 THR H H 126 8.331 8.331 8.365 -0.034 26059 9426 1 13 . 1 1 127 127 PHE N N 127 126.576 126.576 127.929 -1.353 26059 9427 1 13 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.700 -0.110 26059 9428 1 13 . 1 1 127 127 PHE C C 127 174.860 174.860 174.105 0.755 26059 9429 1 13 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.955 0.909 26059 9430 1 13 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.510 -1.510 26059 9431 1 13 . 1 1 127 127 PHE H H 127 9.051 9.051 9.182 -0.131 26059 9432 1 13 . 1 1 128 128 ASN N N 128 123.040 123.040 122.775 0.265 26059 9433 1 13 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.761 -0.141 26059 9434 1 13 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.266 1.214 26059 9435 1 13 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.980 0.480 26059 9436 1 13 . 1 1 128 128 ASN H H 128 8.880 8.880 8.807 0.073 26059 9437 1 13 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.591 0.169 26059 9438 1 13 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.583 -0.683 26059 9439 1 13 . 1 1 129 129 ASN CB C 129 38.730 38.730 36.650 2.080 26059 9440 1 13 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.595 0.195 26059 9441 1 13 . 1 1 130 130 PRO C C 130 177.470 177.470 176.170 1.300 26059 9442 1 13 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.118 0.456 26059 9443 1 13 . 1 1 130 130 PRO CB C 130 32.310 32.310 33.105 -0.795 26059 9444 1 13 . 1 1 131 131 THR N N 131 113.400 113.400 111.495 1.905 26059 9445 1 13 . 1 1 131 131 THR HA H 131 4.300 4.300 4.285 0.015 26059 9446 1 13 . 1 1 131 131 THR C C 131 175.200 175.200 175.916 -0.716 26059 9447 1 13 . 1 1 131 131 THR CA C 131 62.200 62.200 61.700 0.500 26059 9448 1 13 . 1 1 131 131 THR CB C 131 70.600 70.600 69.491 1.109 26059 9449 1 13 . 1 1 131 131 THR H H 131 8.950 8.950 8.029 0.921 26059 9450 1 13 . 1 1 132 132 GLU N N 132 122.199 122.199 125.009 -2.810 26059 9451 1 13 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.865 0.145 26059 9452 1 13 . 1 1 132 132 GLU C C 132 178.700 178.700 177.932 0.768 26059 9453 1 13 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.395 -0.101 26059 9454 1 13 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.614 -0.453 26059 9455 1 13 . 1 1 132 132 GLU H H 132 8.932 8.932 9.117 -0.185 26059 9456 1 13 . 1 1 133 133 ASP N N 133 116.324 116.324 117.265 -0.941 26059 9457 1 13 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.398 -0.068 26059 9458 1 13 . 1 1 133 133 ASP C C 133 177.800 177.800 178.111 -0.311 26059 9459 1 13 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.576 0.784 26059 9460 1 13 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.916 1.907 26059 9461 1 13 . 1 1 133 133 ASP H H 133 8.490 8.490 8.799 -0.309 26059 9462 1 13 . 1 1 134 134 PHE N N 134 119.914 119.914 121.867 -1.953 26059 9463 1 13 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.151 0.459 26059 9464 1 13 . 1 1 134 134 PHE C C 134 177.300 177.300 177.053 0.247 26059 9465 1 13 . 1 1 134 134 PHE CA C 134 59.538 59.538 61.164 -1.626 26059 9466 1 13 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.538 -0.339 26059 9467 1 13 . 1 1 134 134 PHE H H 134 7.787 7.787 7.653 0.134 26059 9468 1 13 . 1 1 135 135 ARG N N 135 119.794 119.794 120.452 -0.658 26059 9469 1 13 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.806 -0.456 26059 9470 1 13 . 1 1 135 135 ARG C C 135 177.370 177.370 178.244 -0.874 26059 9471 1 13 . 1 1 135 135 ARG CA C 135 60.376 60.376 59.995 0.381 26059 9472 1 13 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.119 0.277 26059 9473 1 13 . 1 1 135 135 ARG H H 135 9.087 9.087 8.432 0.655 26059 9474 1 13 . 1 1 136 136 ARG N N 136 114.554 114.554 118.633 -4.079 26059 9475 1 13 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.989 -0.169 26059 9476 1 13 . 1 1 136 136 ARG C C 136 178.950 178.950 178.642 0.308 26059 9477 1 13 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.253 0.047 26059 9478 1 13 . 1 1 136 136 ARG CB C 136 30.217 30.217 29.977 0.240 26059 9479 1 13 . 1 1 136 136 ARG H H 136 7.747 7.747 8.324 -0.577 26059 9480 1 13 . 1 1 137 137 LYS N N 137 118.298 118.298 118.600 -0.302 26059 9481 1 13 . 1 1 137 137 LYS HA H 137 3.900 3.900 3.998 -0.098 26059 9482 1 13 . 1 1 137 137 LYS C C 137 177.980 177.980 178.793 -0.813 26059 9483 1 13 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.266 1.129 26059 9484 1 13 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.286 0.161 26059 9485 1 13 . 1 1 137 137 LYS H H 137 7.154 7.154 7.386 -0.232 26059 9486 1 13 . 1 1 138 138 LEU N N 138 117.159 117.159 118.702 -1.543 26059 9487 1 13 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.796 -0.376 26059 9488 1 13 . 1 1 138 138 LEU C C 138 179.100 179.100 178.365 0.735 26059 9489 1 13 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.059 0.172 26059 9490 1 13 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.456 0.872 26059 9491 1 13 . 1 1 138 138 LEU H H 138 7.709 7.709 7.781 -0.072 26059 9492 1 13 . 1 1 139 139 LEU N N 139 115.158 115.158 116.208 -1.050 26059 9493 1 13 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.255 -0.105 26059 9494 1 13 . 1 1 139 139 LEU C C 139 177.600 177.600 178.156 -0.556 26059 9495 1 13 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.344 -0.815 26059 9496 1 13 . 1 1 139 139 LEU CB C 139 41.744 41.744 42.206 -0.462 26059 9497 1 13 . 1 1 139 139 LEU H H 139 7.507 7.507 7.818 -0.311 26059 9498 1 13 . 1 1 140 140 LYS N N 140 120.256 120.256 118.801 1.455 26059 9499 1 13 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.160 -0.050 26059 9500 1 13 . 1 1 140 140 LYS C C 140 175.800 175.800 176.803 -1.003 26059 9501 1 13 . 1 1 140 140 LYS CA C 140 57.052 57.052 56.581 0.470 26059 9502 1 13 . 1 1 140 140 LYS CB C 140 32.646 32.646 33.175 -0.529 26059 9503 1 13 . 1 1 140 140 LYS H H 140 7.304 7.304 7.419 -0.115 26059 9504 1 14 . 1 1 4 4 MET C C 4 175.800 175.800 175.933 -0.133 26059 9505 1 14 . 1 1 4 4 MET CA C 4 55.350 55.350 55.321 0.029 26059 9506 1 14 . 1 1 4 4 MET CB C 4 32.880 32.880 34.195 -1.315 26059 9507 1 14 . 1 1 5 5 ALA N N 5 125.230 125.230 123.339 1.891 26059 9508 1 14 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.431 -0.081 26059 9509 1 14 . 1 1 5 5 ALA CA C 5 52.430 52.430 51.609 0.820 26059 9510 1 14 . 1 1 5 5 ALA CB C 5 19.370 19.370 17.933 1.437 26059 9511 1 14 . 1 1 5 5 ALA H H 5 8.320 8.320 8.081 0.239 26059 9512 1 14 . 1 1 6 6 SER HA H 6 4.490 4.490 4.351 0.139 26059 9513 1 14 . 1 1 6 6 SER CA C 6 58.200 58.200 58.592 -0.392 26059 9514 1 14 . 1 1 6 6 SER CB C 6 63.700 63.700 64.003 -0.303 26059 9515 1 14 . 1 1 7 7 SER HA H 7 4.530 4.530 5.145 -0.615 26059 9516 1 14 . 1 1 7 7 SER CA C 7 58.200 58.200 58.599 -0.398 26059 9517 1 14 . 1 1 7 7 SER CB C 7 63.700 63.700 63.887 -0.187 26059 9518 1 14 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.670 -0.060 26059 9519 1 14 . 1 1 8 8 CYS C C 8 173.500 173.500 172.336 1.164 26059 9520 1 14 . 1 1 8 8 CYS CA C 8 58.340 58.340 58.888 -0.548 26059 9521 1 14 . 1 1 8 8 CYS CB C 8 28.490 28.490 30.281 -1.791 26059 9522 1 14 . 1 1 9 9 ALA N N 9 124.700 124.700 130.317 -5.617 26059 9523 1 14 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.302 -0.512 26059 9524 1 14 . 1 1 9 9 ALA C C 9 177.400 177.400 176.016 1.384 26059 9525 1 14 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.504 1.566 26059 9526 1 14 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.975 -0.346 26059 9527 1 14 . 1 1 9 9 ALA H H 9 7.960 7.960 8.307 -0.347 26059 9528 1 14 . 1 1 10 10 VAL N N 10 120.124 120.124 122.681 -2.557 26059 9529 1 14 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.342 -0.052 26059 9530 1 14 . 1 1 10 10 VAL C C 10 173.900 173.900 174.892 -0.992 26059 9531 1 14 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.241 0.309 26059 9532 1 14 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.715 1.185 26059 9533 1 14 . 1 1 10 10 VAL H H 10 8.424 8.424 8.388 0.036 26059 9534 1 14 . 1 1 11 11 GLN N N 11 125.818 125.818 124.059 1.759 26059 9535 1 14 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.319 0.241 26059 9536 1 14 . 1 1 11 11 GLN C C 11 175.400 175.400 175.361 0.039 26059 9537 1 14 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.498 -0.375 26059 9538 1 14 . 1 1 11 11 GLN CB C 11 32.029 32.029 31.067 0.962 26059 9539 1 14 . 1 1 11 11 GLN H H 11 8.636 8.636 8.411 0.225 26059 9540 1 14 . 1 1 12 12 VAL N N 12 119.106 119.106 118.307 0.799 26059 9541 1 14 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.373 0.257 26059 9542 1 14 . 1 1 12 12 VAL C C 12 173.800 173.800 174.485 -0.685 26059 9543 1 14 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.465 0.335 26059 9544 1 14 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.922 1.789 26059 9545 1 14 . 1 1 12 12 VAL H H 12 8.827 8.827 8.684 0.143 26059 9546 1 14 . 1 1 13 13 LYS N N 13 121.700 121.700 120.901 0.799 26059 9547 1 14 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.436 -0.236 26059 9548 1 14 . 1 1 13 13 LYS C C 13 175.030 175.030 175.415 -0.385 26059 9549 1 14 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.239 0.191 26059 9550 1 14 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.532 0.388 26059 9551 1 14 . 1 1 13 13 LYS H H 13 8.234 8.234 8.439 -0.205 26059 9552 1 14 . 1 1 14 14 LEU N N 14 119.100 119.100 123.566 -4.466 26059 9553 1 14 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.265 -0.315 26059 9554 1 14 . 1 1 14 14 LEU C C 14 175.110 175.110 175.399 -0.289 26059 9555 1 14 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.287 0.070 26059 9556 1 14 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.861 1.060 26059 9557 1 14 . 1 1 14 14 LEU H H 14 8.840 8.840 8.866 -0.026 26059 9558 1 14 . 1 1 15 15 GLU N N 15 120.978 120.978 123.260 -2.282 26059 9559 1 14 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.328 -0.338 26059 9560 1 14 . 1 1 15 15 GLU C C 15 173.800 173.800 175.229 -1.429 26059 9561 1 14 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.134 1.294 26059 9562 1 14 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.588 -0.762 26059 9563 1 14 . 1 1 15 15 GLU H H 15 9.181 9.181 9.296 -0.115 26059 9564 1 14 . 1 1 16 16 LEU N N 16 124.438 124.438 127.610 -3.172 26059 9565 1 14 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.285 -0.175 26059 9566 1 14 . 1 1 16 16 LEU C C 16 174.700 174.700 176.090 -1.390 26059 9567 1 14 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.979 0.097 26059 9568 1 14 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.758 3.134 26059 9569 1 14 . 1 1 16 16 LEU H H 16 8.891 8.891 8.036 0.855 26059 9570 1 14 . 1 1 17 17 GLY N N 17 108.067 108.067 110.806 -2.739 26059 9571 1 14 . 1 1 17 17 GLY C C 17 170.350 170.350 171.477 -1.127 26059 9572 1 14 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.590 2.394 26059 9573 1 14 . 1 1 17 17 GLY H H 17 7.227 7.227 9.068 -1.841 26059 9574 1 14 . 1 1 18 18 HIS N N 18 111.200 111.200 117.315 -6.115 26059 9575 1 14 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.219 0.401 26059 9576 1 14 . 1 1 18 18 HIS C C 18 172.400 172.400 172.616 -0.216 26059 9577 1 14 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.875 0.065 26059 9578 1 14 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.668 1.492 26059 9579 1 14 . 1 1 18 18 HIS H H 18 8.150 8.150 8.348 -0.198 26059 9580 1 14 . 1 1 19 19 ARG N N 19 117.800 117.800 120.241 -2.441 26059 9581 1 14 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.429 -0.329 26059 9582 1 14 . 1 1 19 19 ARG C C 19 175.800 175.800 174.532 1.268 26059 9583 1 14 . 1 1 19 19 ARG CA C 19 53.500 53.500 53.873 -0.373 26059 9584 1 14 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.717 -0.067 26059 9585 1 14 . 1 1 19 19 ARG H H 19 9.010 9.010 8.444 0.566 26059 9586 1 14 . 1 1 20 20 ALA N N 20 120.390 120.390 124.381 -3.991 26059 9587 1 14 . 1 1 20 20 ALA HA H 20 5.540 5.540 4.826 0.714 26059 9588 1 14 . 1 1 20 20 ALA C C 20 175.800 175.800 175.576 0.224 26059 9589 1 14 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.823 0.767 26059 9590 1 14 . 1 1 20 20 ALA CB C 20 23.750 23.750 21.760 1.990 26059 9591 1 14 . 1 1 20 20 ALA H H 20 8.070 8.070 8.538 -0.468 26059 9592 1 14 . 1 1 21 21 GLN N N 21 121.790 121.790 123.854 -2.064 26059 9593 1 14 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.076 0.154 26059 9594 1 14 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.962 0.367 26059 9595 1 14 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.750 0.150 26059 9596 1 14 . 1 1 21 21 GLN H H 21 9.240 9.240 8.464 0.776 26059 9597 1 14 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.377 -0.747 26059 9598 1 14 . 1 1 22 22 VAL C C 22 176.500 176.500 175.274 1.226 26059 9599 1 14 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.488 2.542 26059 9600 1 14 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.347 -2.747 26059 9601 1 14 . 1 1 23 23 ARG N N 23 127.840 127.840 128.158 -0.318 26059 9602 1 14 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.565 -0.435 26059 9603 1 14 . 1 1 23 23 ARG CA C 23 56.200 56.200 55.291 0.909 26059 9604 1 14 . 1 1 23 23 ARG CB C 23 32.150 32.150 30.777 1.373 26059 9605 1 14 . 1 1 23 23 ARG H H 23 8.720 8.720 8.946 -0.226 26059 9606 1 14 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.160 -0.120 26059 9607 1 14 . 1 1 24 24 LYS C C 24 176.960 176.960 176.300 0.660 26059 9608 1 14 . 1 1 24 24 LYS CA C 24 58.800 58.800 58.083 0.717 26059 9609 1 14 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.636 -0.577 26059 9610 1 14 . 1 1 25 25 LYS N N 25 115.870 115.870 119.051 -3.181 26059 9611 1 14 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.738 0.092 26059 9612 1 14 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.462 -0.502 26059 9613 1 14 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.633 1.447 26059 9614 1 14 . 1 1 25 25 LYS H H 25 7.720 7.720 7.670 0.050 26059 9615 1 14 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.560 0.270 26059 9616 1 14 . 1 1 26 26 PRO C C 26 177.400 177.400 176.940 0.460 26059 9617 1 14 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.081 -0.431 26059 9618 1 14 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.269 0.121 26059 9619 1 14 . 1 1 27 27 THR N N 27 111.270 111.270 114.545 -3.275 26059 9620 1 14 . 1 1 27 27 THR HA H 27 4.530 4.530 4.270 0.260 26059 9621 1 14 . 1 1 27 27 THR C C 27 177.300 177.300 176.995 0.305 26059 9622 1 14 . 1 1 27 27 THR CA C 27 61.300 61.300 61.321 -0.021 26059 9623 1 14 . 1 1 27 27 THR CB C 27 71.460 71.460 69.994 1.466 26059 9624 1 14 . 1 1 27 27 THR H H 27 8.380 8.380 8.209 0.171 26059 9625 1 14 . 1 1 28 28 VAL N N 28 121.170 121.170 119.083 2.087 26059 9626 1 14 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.992 -0.109 26059 9627 1 14 . 1 1 28 28 VAL C C 28 177.030 177.030 175.998 1.032 26059 9628 1 14 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.758 0.442 26059 9629 1 14 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.653 -0.253 26059 9630 1 14 . 1 1 28 28 VAL H H 28 8.910 8.910 8.533 0.377 26059 9631 1 14 . 1 1 29 29 GLU N N 29 116.800 116.800 120.791 -3.991 26059 9632 1 14 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.087 -0.167 26059 9633 1 14 . 1 1 29 29 GLU C C 29 176.200 176.200 176.498 -0.298 26059 9634 1 14 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.623 1.627 26059 9635 1 14 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.638 -0.468 26059 9636 1 14 . 1 1 29 29 GLU H H 29 7.990 7.990 7.984 0.006 26059 9637 1 14 . 1 1 30 30 GLY N N 30 105.500 105.500 106.757 -1.257 26059 9638 1 14 . 1 1 30 30 GLY C C 30 174.900 174.900 173.976 0.924 26059 9639 1 14 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.275 -0.815 26059 9640 1 14 . 1 1 30 30 GLY H H 30 7.950 7.950 7.774 0.176 26059 9641 1 14 . 1 1 31 31 PHE N N 31 119.300 119.300 119.023 0.277 26059 9642 1 14 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.934 -0.174 26059 9643 1 14 . 1 1 31 31 PHE C C 31 176.400 176.400 176.279 0.121 26059 9644 1 14 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.365 1.535 26059 9645 1 14 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.253 -3.753 26059 9646 1 14 . 1 1 31 31 PHE H H 31 7.520 7.520 7.657 -0.137 26059 9647 1 14 . 1 1 32 32 THR N N 32 112.300 112.300 116.198 -3.898 26059 9648 1 14 . 1 1 32 32 THR HA H 32 4.330 4.330 4.406 -0.076 26059 9649 1 14 . 1 1 32 32 THR C C 32 175.200 175.200 174.412 0.788 26059 9650 1 14 . 1 1 32 32 THR CA C 32 62.780 62.780 63.115 -0.335 26059 9651 1 14 . 1 1 32 32 THR CB C 32 70.350 70.350 69.698 0.652 26059 9652 1 14 . 1 1 32 32 THR H H 32 7.770 7.770 8.931 -1.161 26059 9653 1 14 . 1 1 33 33 HIS N N 33 121.900 121.900 121.019 0.881 26059 9654 1 14 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.569 -0.069 26059 9655 1 14 . 1 1 33 33 HIS C C 33 173.880 173.880 173.682 0.198 26059 9656 1 14 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.457 1.323 26059 9657 1 14 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.060 2.580 26059 9658 1 14 . 1 1 33 33 HIS H H 33 9.110 9.110 8.812 0.298 26059 9659 1 14 . 1 1 34 34 ASP N N 34 120.300 120.300 123.414 -3.114 26059 9660 1 14 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.400 0.000 26059 9661 1 14 . 1 1 34 34 ASP C C 34 175.100 175.100 175.512 -0.412 26059 9662 1 14 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.494 -0.184 26059 9663 1 14 . 1 1 34 34 ASP CB C 34 43.000 43.000 42.168 0.832 26059 9664 1 14 . 1 1 34 34 ASP H H 34 8.810 8.810 8.997 -0.187 26059 9665 1 14 . 1 1 35 35 TRP N N 35 119.800 119.800 122.504 -2.704 26059 9666 1 14 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.590 0.140 26059 9667 1 14 . 1 1 35 35 TRP C C 35 174.900 174.900 173.670 1.230 26059 9668 1 14 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.311 0.589 26059 9669 1 14 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.769 1.901 26059 9670 1 14 . 1 1 35 35 TRP H H 35 9.250 9.250 8.766 0.484 26059 9671 1 14 . 1 1 36 36 MET N N 36 120.980 120.980 123.803 -2.823 26059 9672 1 14 . 1 1 36 36 MET HA H 36 5.750 5.750 5.945 -0.195 26059 9673 1 14 . 1 1 36 36 MET C C 36 173.700 173.700 174.696 -0.996 26059 9674 1 14 . 1 1 36 36 MET CA C 36 54.830 54.830 53.850 0.980 26059 9675 1 14 . 1 1 36 36 MET CB C 36 35.220 35.220 36.171 -0.951 26059 9676 1 14 . 1 1 36 36 MET H H 36 9.080 9.080 8.614 0.466 26059 9677 1 14 . 1 1 37 37 VAL N N 37 126.220 126.220 121.916 4.304 26059 9678 1 14 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.186 0.124 26059 9679 1 14 . 1 1 37 37 VAL C C 37 172.300 172.300 174.432 -2.132 26059 9680 1 14 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.572 -1.032 26059 9681 1 14 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.345 1.725 26059 9682 1 14 . 1 1 37 37 VAL H H 37 9.080 9.080 8.662 0.418 26059 9683 1 14 . 1 1 38 38 PHE N N 38 120.640 120.640 118.785 1.855 26059 9684 1 14 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.035 -0.065 26059 9685 1 14 . 1 1 38 38 PHE C C 38 172.960 172.960 173.546 -0.586 26059 9686 1 14 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.520 0.610 26059 9687 1 14 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.620 0.380 26059 9688 1 14 . 1 1 38 38 PHE H H 38 8.320 8.320 8.848 -0.528 26059 9689 1 14 . 1 1 39 39 VAL N N 39 116.500 116.500 117.678 -1.178 26059 9690 1 14 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.835 -0.825 26059 9691 1 14 . 1 1 39 39 VAL C C 39 174.700 174.700 174.911 -0.211 26059 9692 1 14 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.144 1.496 26059 9693 1 14 . 1 1 39 39 VAL CB C 39 35.400 35.400 34.954 0.446 26059 9694 1 14 . 1 1 39 39 VAL H H 39 8.580 8.580 9.148 -0.568 26059 9695 1 14 . 1 1 40 40 ARG N N 40 124.100 124.100 123.334 0.766 26059 9696 1 14 . 1 1 40 40 ARG HA H 40 5.080 5.080 4.842 0.238 26059 9697 1 14 . 1 1 40 40 ARG C C 40 173.800 173.800 175.387 -1.587 26059 9698 1 14 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.419 0.881 26059 9699 1 14 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.169 -0.588 26059 9700 1 14 . 1 1 40 40 ARG H H 40 9.880 9.880 8.954 0.926 26059 9701 1 14 . 1 1 41 41 GLY N N 41 107.640 107.640 107.962 -0.322 26059 9702 1 14 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.945 1.025 26059 9703 1 14 . 1 1 41 41 GLY H H 41 8.910 8.910 8.028 0.882 26059 9704 1 14 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.465 0.025 26059 9705 1 14 . 1 1 42 42 PRO C C 42 177.300 177.300 176.014 1.286 26059 9706 1 14 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.334 -0.894 26059 9707 1 14 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.344 0.766 26059 9708 1 14 . 1 1 43 43 GLU N N 43 121.050 121.050 121.379 -0.329 26059 9709 1 14 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.991 -0.201 26059 9710 1 14 . 1 1 43 43 GLU C C 43 176.110 176.110 175.515 0.595 26059 9711 1 14 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.529 0.321 26059 9712 1 14 . 1 1 43 43 GLU CB C 43 27.850 27.850 26.669 1.181 26059 9713 1 14 . 1 1 43 43 GLU H H 43 9.060 9.060 9.048 0.012 26059 9714 1 14 . 1 1 44 44 HIS N N 44 114.100 114.100 113.098 1.002 26059 9715 1 14 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.129 0.222 26059 9716 1 14 . 1 1 44 44 HIS C C 44 175.170 175.170 174.274 0.896 26059 9717 1 14 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.422 0.228 26059 9718 1 14 . 1 1 44 44 HIS CB C 44 28.370 28.370 29.326 -0.956 26059 9719 1 14 . 1 1 44 44 HIS H H 44 8.420 8.420 8.393 0.027 26059 9720 1 14 . 1 1 45 45 SER N N 45 115.540 115.540 115.921 -0.381 26059 9721 1 14 . 1 1 45 45 SER HA H 45 4.560 4.560 4.336 0.224 26059 9722 1 14 . 1 1 45 45 SER C C 45 173.700 173.700 173.504 0.196 26059 9723 1 14 . 1 1 45 45 SER CA C 45 58.710 58.710 59.795 -1.085 26059 9724 1 14 . 1 1 45 45 SER CB C 45 64.500 64.500 63.895 0.605 26059 9725 1 14 . 1 1 45 45 SER H H 45 7.870 7.870 7.525 0.345 26059 9726 1 14 . 1 1 46 46 ASN N N 46 123.900 123.900 123.080 0.820 26059 9727 1 14 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.593 0.527 26059 9728 1 14 . 1 1 46 46 ASN C C 46 176.300 176.300 175.966 0.334 26059 9729 1 14 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.455 -0.765 26059 9730 1 14 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.271 -0.541 26059 9731 1 14 . 1 1 46 46 ASN H H 46 9.480 9.480 8.752 0.728 26059 9732 1 14 . 1 1 47 47 ILE N N 47 115.240 115.240 119.992 -4.752 26059 9733 1 14 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.050 -0.110 26059 9734 1 14 . 1 1 47 47 ILE C C 47 176.000 176.000 176.664 -0.664 26059 9735 1 14 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.292 1.908 26059 9736 1 14 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.205 -0.505 26059 9737 1 14 . 1 1 47 47 ILE H H 47 8.170 8.170 8.354 -0.184 26059 9738 1 14 . 1 1 48 48 GLN N N 48 123.200 123.200 121.366 1.834 26059 9739 1 14 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.052 0.228 26059 9740 1 14 . 1 1 48 48 GLN C C 48 175.670 175.670 177.015 -1.345 26059 9741 1 14 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.651 -0.751 26059 9742 1 14 . 1 1 48 48 GLN CB C 48 26.990 26.990 28.240 -1.250 26059 9743 1 14 . 1 1 48 48 GLN H H 48 8.850 8.850 8.203 0.647 26059 9744 1 14 . 1 1 49 49 HIS N N 49 115.400 115.400 116.607 -1.207 26059 9745 1 14 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.333 0.237 26059 9746 1 14 . 1 1 49 49 HIS C C 49 176.380 176.380 177.165 -0.785 26059 9747 1 14 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.197 -0.447 26059 9748 1 14 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.148 1.472 26059 9749 1 14 . 1 1 49 49 HIS H H 49 7.400 7.400 7.974 -0.574 26059 9750 1 14 . 1 1 50 50 PHE N N 50 109.800 109.800 112.482 -2.682 26059 9751 1 14 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.849 0.381 26059 9752 1 14 . 1 1 50 50 PHE C C 50 173.800 173.800 174.807 -1.007 26059 9753 1 14 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.195 -0.535 26059 9754 1 14 . 1 1 50 50 PHE CB C 50 41.000 41.000 40.008 0.992 26059 9755 1 14 . 1 1 50 50 PHE H H 50 7.570 7.570 7.457 0.113 26059 9756 1 14 . 1 1 51 51 VAL N N 51 127.810 127.810 121.295 6.515 26059 9757 1 14 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.627 -0.257 26059 9758 1 14 . 1 1 51 51 VAL C C 51 174.500 174.500 175.545 -1.045 26059 9759 1 14 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.848 0.152 26059 9760 1 14 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.676 0.604 26059 9761 1 14 . 1 1 51 51 VAL H H 51 7.810 7.810 8.050 -0.240 26059 9762 1 14 . 1 1 52 52 GLU N N 52 130.700 130.700 129.367 1.333 26059 9763 1 14 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.486 -0.506 26059 9764 1 14 . 1 1 52 52 GLU C C 52 175.400 175.400 175.333 0.067 26059 9765 1 14 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.312 0.688 26059 9766 1 14 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.938 -0.358 26059 9767 1 14 . 1 1 52 52 GLU H H 52 9.380 9.380 9.142 0.238 26059 9768 1 14 . 1 1 53 53 LYS N N 53 109.200 109.200 115.178 -5.978 26059 9769 1 14 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.902 -0.102 26059 9770 1 14 . 1 1 53 53 LYS C C 53 172.300 172.300 174.641 -2.341 26059 9771 1 14 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.748 0.092 26059 9772 1 14 . 1 1 53 53 LYS CB C 53 34.250 34.250 36.153 -1.903 26059 9773 1 14 . 1 1 53 53 LYS H H 53 7.190 7.190 7.495 -0.305 26059 9774 1 14 . 1 1 54 54 VAL N N 54 120.380 120.380 118.653 1.727 26059 9775 1 14 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.784 -0.014 26059 9776 1 14 . 1 1 54 54 VAL C C 54 173.600 173.600 173.904 -0.304 26059 9777 1 14 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.112 0.928 26059 9778 1 14 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.941 -1.240 26059 9779 1 14 . 1 1 54 54 VAL H H 54 8.450 8.450 8.339 0.111 26059 9780 1 14 . 1 1 55 55 VAL N N 55 126.920 126.920 121.722 5.198 26059 9781 1 14 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.294 -0.594 26059 9782 1 14 . 1 1 55 55 VAL C C 55 173.800 173.800 173.446 0.354 26059 9783 1 14 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.534 1.336 26059 9784 1 14 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.856 -1.756 26059 9785 1 14 . 1 1 55 55 VAL H H 55 9.260 9.260 8.584 0.676 26059 9786 1 14 . 1 1 56 56 PHE N N 56 126.130 126.130 127.422 -1.292 26059 9787 1 14 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.911 -0.189 26059 9788 1 14 . 1 1 56 56 PHE C C 56 174.000 174.000 175.031 -1.031 26059 9789 1 14 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.036 0.544 26059 9790 1 14 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.343 0.547 26059 9791 1 14 . 1 1 56 56 PHE H H 56 9.290 9.290 9.371 -0.081 26059 9792 1 14 . 1 1 57 57 HIS N N 57 124.180 124.180 125.216 -1.036 26059 9793 1 14 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.794 0.006 26059 9794 1 14 . 1 1 57 57 HIS C C 57 174.700 174.700 175.132 -0.432 26059 9795 1 14 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.810 -1.490 26059 9796 1 14 . 1 1 57 57 HIS CB C 57 30.100 30.100 27.945 2.155 26059 9797 1 14 . 1 1 57 57 HIS H H 57 8.690 8.690 8.340 0.350 26059 9798 1 14 . 1 1 58 58 LEU N N 58 122.050 122.050 124.521 -2.471 26059 9799 1 14 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.420 -0.110 26059 9800 1 14 . 1 1 58 58 LEU C C 58 174.400 174.400 177.181 -2.781 26059 9801 1 14 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.761 0.649 26059 9802 1 14 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.560 -1.400 26059 9803 1 14 . 1 1 58 58 LEU H H 58 9.050 9.050 8.510 0.540 26059 9804 1 14 . 1 1 59 59 HIS N N 59 118.510 118.510 118.214 0.296 26059 9805 1 14 . 1 1 59 59 HIS C C 59 175.300 175.300 176.647 -1.347 26059 9806 1 14 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.357 3.753 26059 9807 1 14 . 1 1 59 59 HIS CB C 59 30.930 30.930 30.522 0.408 26059 9808 1 14 . 1 1 59 59 HIS H H 59 5.160 5.160 7.799 -2.639 26059 9809 1 14 . 1 1 60 60 GLU N N 60 122.190 122.190 125.930 -3.740 26059 9810 1 14 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.053 -0.093 26059 9811 1 14 . 1 1 60 60 GLU C C 60 175.130 175.130 177.124 -1.994 26059 9812 1 14 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.346 -0.336 26059 9813 1 14 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.638 0.182 26059 9814 1 14 . 1 1 60 60 GLU H H 60 7.960 7.960 8.692 -0.732 26059 9815 1 14 . 1 1 61 61 SER N N 61 116.940 116.940 112.723 4.217 26059 9816 1 14 . 1 1 61 61 SER HA H 61 4.200 4.200 4.381 -0.181 26059 9817 1 14 . 1 1 61 61 SER CA C 61 60.010 60.010 58.764 1.246 26059 9818 1 14 . 1 1 61 61 SER CB C 61 63.140 63.140 63.505 -0.366 26059 9819 1 14 . 1 1 61 61 SER H H 61 8.540 8.540 8.045 0.495 26059 9820 1 14 . 1 1 62 62 PHE N N 62 123.700 123.700 122.664 1.036 26059 9821 1 14 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.708 -0.118 26059 9822 1 14 . 1 1 62 62 PHE CA C 62 57.400 57.400 56.056 1.344 26059 9823 1 14 . 1 1 62 62 PHE CB C 62 38.400 38.400 38.944 -0.543 26059 9824 1 14 . 1 1 62 62 PHE H H 62 8.640 8.640 8.152 0.488 26059 9825 1 14 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.481 -0.072 26059 9826 1 14 . 1 1 63 63 PRO C C 63 176.400 176.400 175.886 0.514 26059 9827 1 14 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.473 -0.873 26059 9828 1 14 . 1 1 63 63 PRO CB C 63 31.860 31.860 31.804 0.056 26059 9829 1 14 . 1 1 64 64 ARG N N 64 116.840 116.840 121.161 -4.321 26059 9830 1 14 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.133 -0.033 26059 9831 1 14 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.013 -0.403 26059 9832 1 14 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.233 0.597 26059 9833 1 14 . 1 1 64 64 ARG H H 64 8.890 8.890 8.460 0.430 26059 9834 1 14 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.344 -0.354 26059 9835 1 14 . 1 1 65 65 PRO C C 65 175.800 175.800 176.985 -1.185 26059 9836 1 14 . 1 1 65 65 PRO CA C 65 65.810 65.810 63.941 1.869 26059 9837 1 14 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.070 -0.190 26059 9838 1 14 . 1 1 66 66 LYS N N 66 119.035 119.035 119.600 -0.565 26059 9839 1 14 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.442 0.168 26059 9840 1 14 . 1 1 66 66 LYS C C 66 175.400 175.400 175.659 -0.259 26059 9841 1 14 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.683 -0.230 26059 9842 1 14 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.101 -0.371 26059 9843 1 14 . 1 1 66 66 LYS H H 66 7.630 7.630 7.927 -0.297 26059 9844 1 14 . 1 1 67 67 ARG N N 67 127.394 127.394 128.235 -0.841 26059 9845 1 14 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.627 0.113 26059 9846 1 14 . 1 1 67 67 ARG C C 67 174.500 174.500 174.982 -0.482 26059 9847 1 14 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.700 0.100 26059 9848 1 14 . 1 1 67 67 ARG CB C 67 29.714 29.714 30.084 -0.370 26059 9849 1 14 . 1 1 67 67 ARG H H 67 8.855 8.855 8.491 0.364 26059 9850 1 14 . 1 1 68 68 VAL N N 68 124.388 124.388 120.345 4.043 26059 9851 1 14 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.453 -0.873 26059 9852 1 14 . 1 1 68 68 VAL C C 68 176.850 176.850 176.028 0.822 26059 9853 1 14 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.376 1.697 26059 9854 1 14 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.616 -0.012 26059 9855 1 14 . 1 1 68 68 VAL H H 68 8.681 8.681 8.303 0.378 26059 9856 1 14 . 1 1 69 69 CYS N N 69 127.080 127.080 127.771 -0.691 26059 9857 1 14 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.835 0.235 26059 9858 1 14 . 1 1 69 69 CYS CA C 69 58.346 58.346 58.721 -0.375 26059 9859 1 14 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.433 0.737 26059 9860 1 14 . 1 1 69 69 CYS H H 69 9.455 9.455 8.962 0.493 26059 9861 1 14 . 1 1 70 70 LYS N N 70 125.480 125.480 123.796 1.684 26059 9862 1 14 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.600 -0.110 26059 9863 1 14 . 1 1 70 70 LYS C C 70 174.300 174.300 176.507 -2.207 26059 9864 1 14 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.205 0.155 26059 9865 1 14 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.612 -0.442 26059 9866 1 14 . 1 1 70 70 LYS H H 70 9.050 9.050 8.815 0.235 26059 9867 1 14 . 1 1 71 71 ASP N N 71 116.940 116.940 121.118 -4.178 26059 9868 1 14 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.766 0.334 26059 9869 1 14 . 1 1 71 71 ASP CA C 71 51.080 51.080 52.377 -1.297 26059 9870 1 14 . 1 1 71 71 ASP CB C 71 43.380 43.380 39.773 3.607 26059 9871 1 14 . 1 1 71 71 ASP H H 71 7.620 7.620 8.001 -0.381 26059 9872 1 14 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.225 -0.965 26059 9873 1 14 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.861 -2.211 26059 9874 1 14 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.756 -0.716 26059 9875 1 14 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.923 0.177 26059 9876 1 14 . 1 1 73 73 PRO C C 73 174.700 174.700 176.285 -1.585 26059 9877 1 14 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.770 -2.080 26059 9878 1 14 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.512 2.528 26059 9879 1 14 . 1 1 74 74 TYR N N 74 125.400 125.400 124.866 0.534 26059 9880 1 14 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.388 0.462 26059 9881 1 14 . 1 1 74 74 TYR C C 74 172.900 172.900 175.411 -2.511 26059 9882 1 14 . 1 1 74 74 TYR CA C 74 55.670 55.670 59.147 -3.477 26059 9883 1 14 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.691 -1.291 26059 9884 1 14 . 1 1 74 74 TYR H H 74 8.960 8.960 8.209 0.751 26059 9885 1 14 . 1 1 75 75 LYS N N 75 121.400 121.400 119.960 1.440 26059 9886 1 14 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.592 -0.002 26059 9887 1 14 . 1 1 75 75 LYS C C 75 173.800 173.800 175.050 -1.250 26059 9888 1 14 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.095 0.555 26059 9889 1 14 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.195 -1.305 26059 9890 1 14 . 1 1 75 75 LYS H H 75 7.670 7.670 8.094 -0.424 26059 9891 1 14 . 1 1 76 76 VAL N N 76 119.800 119.800 122.369 -2.569 26059 9892 1 14 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.287 -0.397 26059 9893 1 14 . 1 1 76 76 VAL C C 76 173.900 173.900 174.362 -0.462 26059 9894 1 14 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.362 1.368 26059 9895 1 14 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.103 0.437 26059 9896 1 14 . 1 1 76 76 VAL H H 76 8.180 8.180 8.658 -0.478 26059 9897 1 14 . 1 1 77 77 GLU N N 77 126.190 126.190 126.134 0.056 26059 9898 1 14 . 1 1 77 77 GLU HA H 77 4.950 4.950 4.895 0.055 26059 9899 1 14 . 1 1 77 77 GLU C C 77 174.700 174.700 175.212 -0.512 26059 9900 1 14 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.794 0.146 26059 9901 1 14 . 1 1 77 77 GLU CB C 77 31.550 31.550 30.902 0.647 26059 9902 1 14 . 1 1 77 77 GLU H H 77 8.270 8.270 8.623 -0.353 26059 9903 1 14 . 1 1 78 78 GLU N N 78 126.180 126.180 125.141 1.039 26059 9904 1 14 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.556 -0.106 26059 9905 1 14 . 1 1 78 78 GLU C C 78 175.400 175.400 173.933 1.467 26059 9906 1 14 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.158 -0.158 26059 9907 1 14 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.530 3.570 26059 9908 1 14 . 1 1 78 78 GLU H H 78 7.870 7.870 7.922 -0.052 26059 9909 1 14 . 1 1 79 79 SER N N 79 112.109 112.109 114.982 -2.873 26059 9910 1 14 . 1 1 79 79 SER HA H 79 5.560 5.560 5.596 -0.036 26059 9911 1 14 . 1 1 79 79 SER C C 79 172.490 172.490 173.503 -1.013 26059 9912 1 14 . 1 1 79 79 SER CA C 79 57.754 57.754 56.238 1.516 26059 9913 1 14 . 1 1 79 79 SER CB C 79 65.861 65.861 65.675 0.186 26059 9914 1 14 . 1 1 79 79 SER H H 79 7.714 7.714 8.395 -0.681 26059 9915 1 14 . 1 1 80 80 GLY N N 80 106.048 106.048 110.808 -4.760 26059 9916 1 14 . 1 1 80 80 GLY C C 80 172.630 172.630 172.057 0.573 26059 9917 1 14 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.231 0.469 26059 9918 1 14 . 1 1 80 80 GLY H H 80 8.828 8.828 8.892 -0.064 26059 9919 1 14 . 1 1 81 81 TYR N N 81 115.280 115.280 115.950 -0.670 26059 9920 1 14 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.419 0.261 26059 9921 1 14 . 1 1 81 81 TYR C C 81 174.100 174.100 174.415 -0.315 26059 9922 1 14 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.013 -1.513 26059 9923 1 14 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.696 0.304 26059 9924 1 14 . 1 1 81 81 TYR H H 81 8.770 8.770 8.014 0.756 26059 9925 1 14 . 1 1 82 82 ALA N N 82 122.350 122.350 122.838 -0.488 26059 9926 1 14 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.463 -0.023 26059 9927 1 14 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.451 -0.411 26059 9928 1 14 . 1 1 82 82 ALA CB C 82 22.400 22.400 20.732 1.668 26059 9929 1 14 . 1 1 82 82 ALA H H 82 7.160 7.160 7.257 -0.097 26059 9930 1 14 . 1 1 83 83 GLY N N 83 107.100 107.100 108.924 -1.824 26059 9931 1 14 . 1 1 83 83 GLY C C 83 172.500 172.500 173.169 -0.669 26059 9932 1 14 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.058 0.552 26059 9933 1 14 . 1 1 83 83 GLY H H 83 8.220 8.220 8.330 -0.110 26059 9934 1 14 . 1 1 84 84 PHE N N 84 111.660 111.660 113.581 -1.921 26059 9935 1 14 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.436 0.254 26059 9936 1 14 . 1 1 84 84 PHE C C 84 172.460 172.460 173.049 -0.589 26059 9937 1 14 . 1 1 84 84 PHE CA C 84 56.500 56.500 56.032 0.468 26059 9938 1 14 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.304 -0.724 26059 9939 1 14 . 1 1 84 84 PHE H H 84 7.700 7.700 8.119 -0.419 26059 9940 1 14 . 1 1 85 85 ILE N N 85 117.810 117.810 121.127 -3.317 26059 9941 1 14 . 1 1 85 85 ILE HA H 85 4.310 4.310 3.958 0.352 26059 9942 1 14 . 1 1 85 85 ILE CA C 85 59.340 59.340 61.108 -1.768 26059 9943 1 14 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.711 -1.450 26059 9944 1 14 . 1 1 85 85 ILE H H 85 8.340 8.340 8.234 0.106 26059 9945 1 14 . 1 1 86 86 LEU N N 86 108.130 108.130 129.110 -20.980 26059 9946 1 14 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.948 0.032 26059 9947 1 14 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.798 2.402 26059 9948 1 14 . 1 1 86 86 LEU CB C 86 45.300 45.300 45.041 0.259 26059 9949 1 14 . 1 1 86 86 LEU H H 86 9.900 9.900 8.670 1.230 26059 9950 1 14 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.492 0.608 26059 9951 1 14 . 1 1 87 87 PRO C C 87 175.340 175.340 175.705 -0.365 26059 9952 1 14 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.057 0.053 26059 9953 1 14 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.256 0.304 26059 9954 1 14 . 1 1 88 88 ILE N N 88 126.000 126.000 126.961 -0.961 26059 9955 1 14 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.495 0.295 26059 9956 1 14 . 1 1 88 88 ILE C C 88 176.100 176.100 175.063 1.037 26059 9957 1 14 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.447 0.114 26059 9958 1 14 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.453 2.547 26059 9959 1 14 . 1 1 88 88 ILE H H 88 9.380 9.380 8.513 0.867 26059 9960 1 14 . 1 1 89 89 GLU N N 89 123.900 123.900 128.056 -4.156 26059 9961 1 14 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.196 0.004 26059 9962 1 14 . 1 1 89 89 GLU C C 89 173.800 173.800 175.441 -1.641 26059 9963 1 14 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.282 -0.312 26059 9964 1 14 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.979 2.401 26059 9965 1 14 . 1 1 89 89 GLU H H 89 9.320 9.320 8.610 0.710 26059 9966 1 14 . 1 1 90 90 VAL N N 90 123.980 123.980 124.562 -0.582 26059 9967 1 14 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.843 0.317 26059 9968 1 14 . 1 1 90 90 VAL C C 90 174.800 174.800 174.405 0.395 26059 9969 1 14 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.781 -0.391 26059 9970 1 14 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.623 -0.133 26059 9971 1 14 . 1 1 90 90 VAL H H 90 8.630 8.630 8.030 0.600 26059 9972 1 14 . 1 1 91 91 TYR N N 91 124.230 124.230 126.525 -2.295 26059 9973 1 14 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.835 -0.175 26059 9974 1 14 . 1 1 91 91 TYR C C 91 176.800 176.800 175.520 1.280 26059 9975 1 14 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.139 -0.439 26059 9976 1 14 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.538 0.702 26059 9977 1 14 . 1 1 91 91 TYR H H 91 8.640 8.640 8.882 -0.242 26059 9978 1 14 . 1 1 92 92 PHE N N 92 121.200 121.200 122.424 -1.224 26059 9979 1 14 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.256 0.404 26059 9980 1 14 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.327 1.183 26059 9981 1 14 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.323 -0.323 26059 9982 1 14 . 1 1 92 92 PHE H H 92 8.750 8.750 8.961 -0.211 26059 9983 1 14 . 1 1 93 93 LYS N N 93 123.450 123.450 123.036 0.414 26059 9984 1 14 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.511 0.089 26059 9985 1 14 . 1 1 93 93 LYS C C 93 174.200 174.200 175.547 -1.347 26059 9986 1 14 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.928 -0.748 26059 9987 1 14 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.523 0.157 26059 9988 1 14 . 1 1 93 93 LYS H H 93 8.560 8.560 8.952 -0.392 26059 9989 1 14 . 1 1 94 94 ASN N N 94 118.800 118.800 122.908 -4.108 26059 9990 1 14 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.918 -0.477 26059 9991 1 14 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.639 -1.429 26059 9992 1 14 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.407 -1.607 26059 9993 1 14 . 1 1 94 94 ASN H H 94 7.820 7.820 7.975 -0.155 26059 9994 1 14 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.445 -0.115 26059 9995 1 14 . 1 1 95 95 LYS C C 95 175.800 175.800 176.154 -0.354 26059 9996 1 14 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.444 -0.234 26059 9997 1 14 . 1 1 95 95 LYS CB C 95 33.010 33.010 33.108 -0.098 26059 9998 1 14 . 1 1 96 96 GLU N N 96 118.330 118.330 118.784 -0.454 26059 9999 1 14 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.299 0.211 26059 10000 1 14 . 1 1 96 96 GLU C C 96 173.200 173.200 176.000 -2.800 26059 10001 1 14 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.886 -0.786 26059 10002 1 14 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.675 0.795 26059 10003 1 14 . 1 1 96 96 GLU H H 96 7.120 7.120 7.416 -0.296 26059 10004 1 14 . 1 1 97 97 GLU N N 97 115.630 115.630 119.633 -4.003 26059 10005 1 14 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.050 0.380 26059 10006 1 14 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.578 -1.718 26059 10007 1 14 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.679 0.591 26059 10008 1 14 . 1 1 97 97 GLU H H 97 8.060 8.060 8.614 -0.554 26059 10009 1 14 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.230 0.770 26059 10010 1 14 . 1 1 98 98 PRO C C 98 175.900 175.900 176.829 -0.929 26059 10011 1 14 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.106 -1.946 26059 10012 1 14 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.897 2.103 26059 10013 1 14 . 1 1 99 99 ARG N N 99 122.800 122.800 120.299 2.501 26059 10014 1 14 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.486 0.144 26059 10015 1 14 . 1 1 99 99 ARG C C 99 175.800 175.800 175.560 0.240 26059 10016 1 14 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.721 0.479 26059 10017 1 14 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.466 -0.056 26059 10018 1 14 . 1 1 99 99 ARG H H 99 8.602 8.602 8.652 -0.050 26059 10019 1 14 . 1 1 100 100 LYS N N 100 113.220 113.220 116.290 -3.070 26059 10020 1 14 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.946 -0.006 26059 10021 1 14 . 1 1 100 100 LYS C C 100 174.100 174.100 174.651 -0.551 26059 10022 1 14 . 1 1 100 100 LYS CA C 100 53.391 53.391 54.112 -0.721 26059 10023 1 14 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.626 -0.906 26059 10024 1 14 . 1 1 100 100 LYS H H 100 7.650 7.650 7.328 0.322 26059 10025 1 14 . 1 1 101 101 VAL N N 101 116.230 116.230 117.371 -1.141 26059 10026 1 14 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.434 -0.164 26059 10027 1 14 . 1 1 101 101 VAL C C 101 171.600 171.600 173.321 -1.721 26059 10028 1 14 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.244 1.016 26059 10029 1 14 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.609 -0.429 26059 10030 1 14 . 1 1 101 101 VAL H H 101 8.120 8.120 8.132 -0.012 26059 10031 1 14 . 1 1 102 102 ARG N N 102 124.980 124.980 123.974 1.006 26059 10032 1 14 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.901 0.259 26059 10033 1 14 . 1 1 102 102 ARG C C 102 174.340 174.340 174.978 -0.638 26059 10034 1 14 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.903 -1.153 26059 10035 1 14 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.952 1.398 26059 10036 1 14 . 1 1 102 102 ARG H H 102 7.930 7.930 8.097 -0.167 26059 10037 1 14 . 1 1 103 103 PHE N N 103 124.590 124.590 126.290 -1.700 26059 10038 1 14 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.736 0.056 26059 10039 1 14 . 1 1 103 103 PHE C C 103 174.280 174.280 174.686 -0.406 26059 10040 1 14 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.641 0.840 26059 10041 1 14 . 1 1 103 103 PHE CB C 103 42.250 42.250 39.917 2.333 26059 10042 1 14 . 1 1 103 103 PHE H H 103 9.390 9.390 9.115 0.275 26059 10043 1 14 . 1 1 104 104 ASP N N 104 124.700 124.700 124.982 -0.282 26059 10044 1 14 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.496 0.303 26059 10045 1 14 . 1 1 104 104 ASP C C 104 174.500 174.500 174.505 -0.005 26059 10046 1 14 . 1 1 104 104 ASP CA C 104 54.390 54.390 54.197 0.193 26059 10047 1 14 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.450 -0.220 26059 10048 1 14 . 1 1 104 104 ASP H H 104 9.010 9.010 8.943 0.067 26059 10049 1 14 . 1 1 105 105 TYR N N 105 129.840 129.840 123.899 5.941 26059 10050 1 14 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.677 -0.607 26059 10051 1 14 . 1 1 105 105 TYR C C 105 173.100 173.100 173.167 -0.067 26059 10052 1 14 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.864 1.817 26059 10053 1 14 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.251 -0.401 26059 10054 1 14 . 1 1 105 105 TYR H H 105 8.140 8.140 8.069 0.071 26059 10055 1 14 . 1 1 106 106 ASP N N 106 126.800 126.800 127.846 -1.046 26059 10056 1 14 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.382 -0.162 26059 10057 1 14 . 1 1 106 106 ASP C C 106 172.900 172.900 174.542 -1.642 26059 10058 1 14 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.345 0.165 26059 10059 1 14 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.117 -1.617 26059 10060 1 14 . 1 1 106 106 ASP H H 106 7.730 7.730 8.383 -0.653 26059 10061 1 14 . 1 1 107 107 LEU N N 107 132.150 132.150 127.963 4.187 26059 10062 1 14 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.445 -0.605 26059 10063 1 14 . 1 1 107 107 LEU C C 107 172.100 172.100 174.843 -2.743 26059 10064 1 14 . 1 1 107 107 LEU CA C 107 53.200 53.200 54.142 -0.942 26059 10065 1 14 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.830 -1.590 26059 10066 1 14 . 1 1 107 107 LEU H H 107 7.770 7.770 7.564 0.206 26059 10067 1 14 . 1 1 108 108 PHE N N 108 118.960 118.960 122.960 -4.000 26059 10068 1 14 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.912 -0.222 26059 10069 1 14 . 1 1 108 108 PHE C C 108 174.300 174.300 173.570 0.730 26059 10070 1 14 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.032 -0.342 26059 10071 1 14 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.944 -0.654 26059 10072 1 14 . 1 1 108 108 PHE H H 108 6.060 6.060 7.206 -1.146 26059 10073 1 14 . 1 1 109 109 LEU N N 109 118.900 118.900 118.793 0.107 26059 10074 1 14 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.575 -0.175 26059 10075 1 14 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.064 -0.904 26059 10076 1 14 . 1 1 109 109 LEU CB C 109 43.080 43.080 44.673 -1.593 26059 10077 1 14 . 1 1 109 109 LEU H H 109 8.388 8.388 8.342 0.046 26059 10078 1 14 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.569 -0.129 26059 10079 1 14 . 1 1 111 111 LEU C C 111 177.300 177.300 177.137 0.163 26059 10080 1 14 . 1 1 111 111 LEU CA C 111 54.220 54.220 54.471 -0.251 26059 10081 1 14 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.916 0.954 26059 10082 1 14 . 1 1 112 112 GLU N N 112 120.660 120.660 123.763 -3.103 26059 10083 1 14 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.074 0.096 26059 10084 1 14 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.070 0.390 26059 10085 1 14 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.187 0.003 26059 10086 1 14 . 1 1 112 112 GLU H H 112 8.780 8.780 8.892 -0.112 26059 10087 1 14 . 1 1 113 113 GLY C C 113 173.900 173.900 173.538 0.362 26059 10088 1 14 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.801 0.149 26059 10089 1 14 . 1 1 114 114 HIS N N 114 120.890 120.890 120.159 0.731 26059 10090 1 14 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.962 -0.056 26059 10091 1 14 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.463 1.307 26059 10092 1 14 . 1 1 114 114 HIS CB C 114 30.590 30.590 31.993 -1.403 26059 10093 1 14 . 1 1 114 114 HIS H H 114 7.934 7.934 7.914 0.020 26059 10094 1 14 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.229 0.571 26059 10095 1 14 . 1 1 115 115 PRO CA C 115 62.090 62.090 61.868 0.222 26059 10096 1 14 . 1 1 115 115 PRO CB C 115 30.680 30.680 31.096 -0.416 26059 10097 1 14 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.931 -0.721 26059 10098 1 14 . 1 1 116 116 PRO C C 116 176.600 176.600 176.256 0.344 26059 10099 1 14 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.604 -0.304 26059 10100 1 14 . 1 1 117 117 VAL N N 117 127.480 127.480 119.804 7.676 26059 10101 1 14 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.356 -0.566 26059 10102 1 14 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.039 1.661 26059 10103 1 14 . 1 1 117 117 VAL CB C 117 33.200 33.200 34.239 -1.039 26059 10104 1 14 . 1 1 117 117 VAL H H 117 8.890 8.890 8.128 0.762 26059 10105 1 14 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.228 -0.238 26059 10106 1 14 . 1 1 118 118 ASN C C 118 172.700 172.700 173.829 -1.129 26059 10107 1 14 . 1 1 118 118 ASN CA C 118 53.360 53.360 52.862 0.498 26059 10108 1 14 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.000 -0.800 26059 10109 1 14 . 1 1 119 119 HIS N N 119 124.930 124.930 126.092 -1.162 26059 10110 1 14 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.058 -0.238 26059 10111 1 14 . 1 1 119 119 HIS C C 119 173.500 173.500 173.052 0.448 26059 10112 1 14 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.153 1.817 26059 10113 1 14 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.370 0.900 26059 10114 1 14 . 1 1 119 119 HIS H H 119 8.790 8.790 8.303 0.487 26059 10115 1 14 . 1 1 120 120 LEU N N 120 128.280 128.280 125.199 3.081 26059 10116 1 14 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.901 0.049 26059 10117 1 14 . 1 1 120 120 LEU C C 120 174.030 174.030 175.958 -1.928 26059 10118 1 14 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.312 0.688 26059 10119 1 14 . 1 1 120 120 LEU CB C 120 46.600 46.600 44.892 1.708 26059 10120 1 14 . 1 1 120 120 LEU H H 120 7.460 7.460 8.253 -0.793 26059 10121 1 14 . 1 1 121 121 ARG N N 121 128.060 128.060 121.482 6.578 26059 10122 1 14 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.647 -0.007 26059 10123 1 14 . 1 1 121 121 ARG C C 121 173.400 173.400 174.770 -1.370 26059 10124 1 14 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.188 0.173 26059 10125 1 14 . 1 1 121 121 ARG CB C 121 34.260 34.260 33.219 1.041 26059 10126 1 14 . 1 1 121 121 ARG H H 121 9.860 9.860 8.968 0.892 26059 10127 1 14 . 1 1 122 122 CYS N N 122 125.290 125.290 121.009 4.281 26059 10128 1 14 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.123 -0.103 26059 10129 1 14 . 1 1 122 122 CYS C C 122 174.600 174.600 174.352 0.248 26059 10130 1 14 . 1 1 122 122 CYS CA C 122 58.290 58.290 56.563 1.727 26059 10131 1 14 . 1 1 122 122 CYS CB C 122 28.030 28.030 28.172 -0.141 26059 10132 1 14 . 1 1 122 122 CYS H H 122 8.835 8.835 8.655 0.180 26059 10133 1 14 . 1 1 123 123 GLU N N 123 125.920 125.920 124.973 0.947 26059 10134 1 14 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.395 0.285 26059 10135 1 14 . 1 1 123 123 GLU C C 123 174.500 174.500 175.554 -1.054 26059 10136 1 14 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.291 0.129 26059 10137 1 14 . 1 1 123 123 GLU CB C 123 32.583 32.583 31.511 1.073 26059 10138 1 14 . 1 1 123 123 GLU H H 123 8.970 8.970 8.887 0.083 26059 10139 1 14 . 1 1 124 124 LYS N N 124 121.837 121.837 122.345 -0.508 26059 10140 1 14 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.975 -0.015 26059 10141 1 14 . 1 1 124 124 LYS C C 124 175.700 175.700 176.136 -0.436 26059 10142 1 14 . 1 1 124 124 LYS CA C 124 55.357 55.357 54.894 0.463 26059 10143 1 14 . 1 1 124 124 LYS CB C 124 34.189 34.189 34.182 0.007 26059 10144 1 14 . 1 1 124 124 LYS H H 124 8.652 8.652 8.376 0.276 26059 10145 1 14 . 1 1 125 125 LEU N N 125 127.000 127.000 128.699 -1.699 26059 10146 1 14 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.548 0.102 26059 10147 1 14 . 1 1 125 125 LEU C C 125 175.110 175.110 175.207 -0.097 26059 10148 1 14 . 1 1 125 125 LEU CA C 125 53.854 53.854 53.893 -0.039 26059 10149 1 14 . 1 1 125 125 LEU CB C 125 44.267 44.267 43.368 0.899 26059 10150 1 14 . 1 1 125 125 LEU H H 125 9.175 9.175 9.152 0.023 26059 10151 1 14 . 1 1 126 126 THR N N 126 117.779 117.779 120.174 -2.395 26059 10152 1 14 . 1 1 126 126 THR HA H 126 4.650 4.650 4.639 0.011 26059 10153 1 14 . 1 1 126 126 THR C C 126 173.200 173.200 173.563 -0.363 26059 10154 1 14 . 1 1 126 126 THR CA C 126 62.036 62.036 61.704 0.332 26059 10155 1 14 . 1 1 126 126 THR CB C 126 70.284 70.284 69.885 0.399 26059 10156 1 14 . 1 1 126 126 THR H H 126 8.331 8.331 8.379 -0.048 26059 10157 1 14 . 1 1 127 127 PHE N N 127 126.576 126.576 126.538 0.038 26059 10158 1 14 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.766 -0.176 26059 10159 1 14 . 1 1 127 127 PHE C C 127 174.860 174.860 174.260 0.600 26059 10160 1 14 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.364 1.500 26059 10161 1 14 . 1 1 127 127 PHE CB C 127 39.000 39.000 39.674 -0.674 26059 10162 1 14 . 1 1 127 127 PHE H H 127 9.051 9.051 8.988 0.063 26059 10163 1 14 . 1 1 128 128 ASN N N 128 123.040 123.040 121.888 1.152 26059 10164 1 14 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.691 -0.071 26059 10165 1 14 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.239 1.241 26059 10166 1 14 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.969 0.491 26059 10167 1 14 . 1 1 128 128 ASN H H 128 8.880 8.880 8.844 0.036 26059 10168 1 14 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.537 0.223 26059 10169 1 14 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.635 -0.735 26059 10170 1 14 . 1 1 129 129 ASN CB C 129 38.730 38.730 36.807 1.923 26059 10171 1 14 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.558 0.232 26059 10172 1 14 . 1 1 130 130 PRO C C 130 177.470 177.470 176.903 0.567 26059 10173 1 14 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.436 0.138 26059 10174 1 14 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.579 -0.269 26059 10175 1 14 . 1 1 131 131 THR N N 131 113.400 113.400 111.491 1.909 26059 10176 1 14 . 1 1 131 131 THR HA H 131 4.300 4.300 4.297 0.003 26059 10177 1 14 . 1 1 131 131 THR C C 131 175.200 175.200 175.661 -0.461 26059 10178 1 14 . 1 1 131 131 THR CA C 131 62.200 62.200 61.491 0.709 26059 10179 1 14 . 1 1 131 131 THR CB C 131 70.600 70.600 70.178 0.422 26059 10180 1 14 . 1 1 131 131 THR H H 131 8.950 8.950 8.246 0.704 26059 10181 1 14 . 1 1 132 132 GLU N N 132 122.199 122.199 124.424 -2.225 26059 10182 1 14 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.931 0.079 26059 10183 1 14 . 1 1 132 132 GLU C C 132 178.700 178.700 178.166 0.534 26059 10184 1 14 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.860 -0.566 26059 10185 1 14 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.525 -0.364 26059 10186 1 14 . 1 1 132 132 GLU H H 132 8.932 8.932 9.061 -0.129 26059 10187 1 14 . 1 1 133 133 ASP N N 133 116.324 116.324 117.721 -1.397 26059 10188 1 14 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.380 -0.050 26059 10189 1 14 . 1 1 133 133 ASP C C 133 177.800 177.800 178.374 -0.574 26059 10190 1 14 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.775 0.585 26059 10191 1 14 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.935 1.888 26059 10192 1 14 . 1 1 133 133 ASP H H 133 8.490 8.490 8.783 -0.293 26059 10193 1 14 . 1 1 134 134 PHE N N 134 119.914 119.914 122.400 -2.486 26059 10194 1 14 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.172 0.438 26059 10195 1 14 . 1 1 134 134 PHE C C 134 177.300 177.300 177.049 0.251 26059 10196 1 14 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.438 -0.900 26059 10197 1 14 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.257 -0.057 26059 10198 1 14 . 1 1 134 134 PHE H H 134 7.787 7.787 7.536 0.251 26059 10199 1 14 . 1 1 135 135 ARG N N 135 119.794 119.794 120.364 -0.570 26059 10200 1 14 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.759 -0.409 26059 10201 1 14 . 1 1 135 135 ARG C C 135 177.370 177.370 178.094 -0.724 26059 10202 1 14 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.141 0.235 26059 10203 1 14 . 1 1 135 135 ARG CB C 135 30.396 30.396 29.990 0.406 26059 10204 1 14 . 1 1 135 135 ARG H H 135 9.087 9.087 8.188 0.899 26059 10205 1 14 . 1 1 136 136 ARG N N 136 114.554 114.554 118.640 -4.086 26059 10206 1 14 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.991 -0.171 26059 10207 1 14 . 1 1 136 136 ARG C C 136 178.950 178.950 178.666 0.284 26059 10208 1 14 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.488 -0.188 26059 10209 1 14 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.001 0.216 26059 10210 1 14 . 1 1 136 136 ARG H H 136 7.747 7.747 8.057 -0.310 26059 10211 1 14 . 1 1 137 137 LYS N N 137 118.298 118.298 119.171 -0.873 26059 10212 1 14 . 1 1 137 137 LYS HA H 137 3.900 3.900 3.995 -0.095 26059 10213 1 14 . 1 1 137 137 LYS C C 137 177.980 177.980 178.863 -0.883 26059 10214 1 14 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.429 0.966 26059 10215 1 14 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.284 0.163 26059 10216 1 14 . 1 1 137 137 LYS H H 137 7.154 7.154 7.482 -0.328 26059 10217 1 14 . 1 1 138 138 LEU N N 138 117.159 117.159 119.122 -1.963 26059 10218 1 14 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.790 -0.370 26059 10219 1 14 . 1 1 138 138 LEU C C 138 179.100 179.100 178.721 0.379 26059 10220 1 14 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.217 0.014 26059 10221 1 14 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.578 0.750 26059 10222 1 14 . 1 1 138 138 LEU H H 138 7.709 7.709 7.766 -0.057 26059 10223 1 14 . 1 1 139 139 LEU N N 139 115.158 115.158 117.259 -2.101 26059 10224 1 14 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.092 0.058 26059 10225 1 14 . 1 1 139 139 LEU C C 139 177.600 177.600 178.570 -0.970 26059 10226 1 14 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.830 -1.301 26059 10227 1 14 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.870 -0.126 26059 10228 1 14 . 1 1 139 139 LEU H H 139 7.507 7.507 8.271 -0.764 26059 10229 1 14 . 1 1 140 140 LYS N N 140 120.256 120.256 119.322 0.934 26059 10230 1 14 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.037 0.073 26059 10231 1 14 . 1 1 140 140 LYS C C 140 175.800 175.800 177.249 -1.449 26059 10232 1 14 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.465 -0.413 26059 10233 1 14 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.661 -0.015 26059 10234 1 14 . 1 1 140 140 LYS H H 140 7.304 7.304 7.652 -0.348 26059 10235 1 15 . 1 1 4 4 MET C C 4 175.800 175.800 175.815 -0.015 26059 10236 1 15 . 1 1 4 4 MET CA C 4 55.350 55.350 55.011 0.339 26059 10237 1 15 . 1 1 4 4 MET CB C 4 32.880 32.880 32.957 -0.077 26059 10238 1 15 . 1 1 5 5 ALA N N 5 125.230 125.230 125.993 -0.763 26059 10239 1 15 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.455 -0.105 26059 10240 1 15 . 1 1 5 5 ALA CA C 5 52.430 52.430 51.268 1.162 26059 10241 1 15 . 1 1 5 5 ALA CB C 5 19.370 19.370 17.438 1.932 26059 10242 1 15 . 1 1 5 5 ALA H H 5 8.320 8.320 8.280 0.040 26059 10243 1 15 . 1 1 6 6 SER HA H 6 4.490 4.490 4.360 0.130 26059 10244 1 15 . 1 1 6 6 SER CA C 6 58.200 58.200 57.747 0.453 26059 10245 1 15 . 1 1 6 6 SER CB C 6 63.700 63.700 62.916 0.784 26059 10246 1 15 . 1 1 7 7 SER HA H 7 4.530 4.530 4.759 -0.229 26059 10247 1 15 . 1 1 7 7 SER CA C 7 58.200 58.200 59.107 -0.907 26059 10248 1 15 . 1 1 7 7 SER CB C 7 63.700 63.700 63.033 0.667 26059 10249 1 15 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.587 0.023 26059 10250 1 15 . 1 1 8 8 CYS C C 8 173.500 173.500 173.138 0.362 26059 10251 1 15 . 1 1 8 8 CYS CA C 8 58.340 58.340 58.020 0.320 26059 10252 1 15 . 1 1 8 8 CYS CB C 8 28.490 28.490 27.899 0.591 26059 10253 1 15 . 1 1 9 9 ALA N N 9 124.700 124.700 127.354 -2.654 26059 10254 1 15 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.195 -0.405 26059 10255 1 15 . 1 1 9 9 ALA C C 9 177.400 177.400 176.293 1.107 26059 10256 1 15 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.382 1.688 26059 10257 1 15 . 1 1 9 9 ALA CB C 9 20.629 20.629 21.258 -0.629 26059 10258 1 15 . 1 1 9 9 ALA H H 9 7.960 7.960 8.411 -0.451 26059 10259 1 15 . 1 1 10 10 VAL N N 10 120.124 120.124 121.182 -1.058 26059 10260 1 15 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.331 -0.041 26059 10261 1 15 . 1 1 10 10 VAL C C 10 173.900 173.900 174.823 -0.923 26059 10262 1 15 . 1 1 10 10 VAL CA C 10 61.550 61.550 60.972 0.578 26059 10263 1 15 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.943 0.957 26059 10264 1 15 . 1 1 10 10 VAL H H 10 8.424 8.424 8.773 -0.349 26059 10265 1 15 . 1 1 11 11 GLN N N 11 125.818 125.818 124.295 1.523 26059 10266 1 15 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.291 0.269 26059 10267 1 15 . 1 1 11 11 GLN C C 11 175.400 175.400 175.473 -0.073 26059 10268 1 15 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.441 -0.318 26059 10269 1 15 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.500 1.529 26059 10270 1 15 . 1 1 11 11 GLN H H 11 8.636 8.636 8.438 0.198 26059 10271 1 15 . 1 1 12 12 VAL N N 12 119.106 119.106 118.063 1.043 26059 10272 1 15 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.359 0.271 26059 10273 1 15 . 1 1 12 12 VAL C C 12 173.800 173.800 174.559 -0.759 26059 10274 1 15 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.573 0.227 26059 10275 1 15 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.560 2.151 26059 10276 1 15 . 1 1 12 12 VAL H H 12 8.827 8.827 8.660 0.167 26059 10277 1 15 . 1 1 13 13 LYS N N 13 121.700 121.700 119.515 2.185 26059 10278 1 15 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.470 -0.270 26059 10279 1 15 . 1 1 13 13 LYS C C 13 175.030 175.030 175.448 -0.418 26059 10280 1 15 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.242 0.188 26059 10281 1 15 . 1 1 13 13 LYS CB C 13 35.920 35.920 36.531 -0.611 26059 10282 1 15 . 1 1 13 13 LYS H H 13 8.234 8.234 8.316 -0.082 26059 10283 1 15 . 1 1 14 14 LEU N N 14 119.100 119.100 121.213 -2.113 26059 10284 1 15 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.298 -0.348 26059 10285 1 15 . 1 1 14 14 LEU C C 14 175.110 175.110 175.169 -0.059 26059 10286 1 15 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.320 0.037 26059 10287 1 15 . 1 1 14 14 LEU CB C 14 46.921 46.921 46.773 0.148 26059 10288 1 15 . 1 1 14 14 LEU H H 14 8.840 8.840 9.021 -0.181 26059 10289 1 15 . 1 1 15 15 GLU N N 15 120.978 120.978 123.435 -2.457 26059 10290 1 15 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.344 -0.354 26059 10291 1 15 . 1 1 15 15 GLU C C 15 173.800 173.800 174.868 -1.068 26059 10292 1 15 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.345 1.083 26059 10293 1 15 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.276 -0.450 26059 10294 1 15 . 1 1 15 15 GLU H H 15 9.181 9.181 9.155 0.026 26059 10295 1 15 . 1 1 16 16 LEU N N 16 124.438 124.438 127.616 -3.178 26059 10296 1 15 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.289 -0.179 26059 10297 1 15 . 1 1 16 16 LEU C C 16 174.700 174.700 176.181 -1.481 26059 10298 1 15 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.824 0.252 26059 10299 1 15 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.120 3.772 26059 10300 1 15 . 1 1 16 16 LEU H H 16 8.891 8.891 8.316 0.575 26059 10301 1 15 . 1 1 17 17 GLY N N 17 108.067 108.067 110.845 -2.778 26059 10302 1 15 . 1 1 17 17 GLY C C 17 170.350 170.350 171.815 -1.465 26059 10303 1 15 . 1 1 17 17 GLY CA C 17 46.984 46.984 45.097 1.887 26059 10304 1 15 . 1 1 17 17 GLY H H 17 7.227 7.227 8.837 -1.610 26059 10305 1 15 . 1 1 18 18 HIS N N 18 111.200 111.200 116.073 -4.873 26059 10306 1 15 . 1 1 18 18 HIS HA H 18 5.620 5.620 4.968 0.652 26059 10307 1 15 . 1 1 18 18 HIS C C 18 172.400 172.400 172.562 -0.162 26059 10308 1 15 . 1 1 18 18 HIS CA C 18 54.940 54.940 55.036 -0.097 26059 10309 1 15 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.326 1.834 26059 10310 1 15 . 1 1 18 18 HIS H H 18 8.150 8.150 8.782 -0.632 26059 10311 1 15 . 1 1 19 19 ARG N N 19 117.800 117.800 121.028 -3.228 26059 10312 1 15 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.086 0.014 26059 10313 1 15 . 1 1 19 19 ARG C C 19 175.800 175.800 174.496 1.304 26059 10314 1 15 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.220 -0.720 26059 10315 1 15 . 1 1 19 19 ARG CB C 19 34.650 34.650 33.462 1.188 26059 10316 1 15 . 1 1 19 19 ARG H H 19 9.010 9.010 8.387 0.623 26059 10317 1 15 . 1 1 20 20 ALA N N 20 120.390 120.390 124.999 -4.609 26059 10318 1 15 . 1 1 20 20 ALA HA H 20 5.540 5.540 4.949 0.591 26059 10319 1 15 . 1 1 20 20 ALA C C 20 175.800 175.800 175.064 0.736 26059 10320 1 15 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.724 0.866 26059 10321 1 15 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.336 1.414 26059 10322 1 15 . 1 1 20 20 ALA H H 20 8.070 8.070 8.641 -0.571 26059 10323 1 15 . 1 1 21 21 GLN N N 21 121.790 121.790 123.732 -1.942 26059 10324 1 15 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.008 0.222 26059 10325 1 15 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.992 0.338 26059 10326 1 15 . 1 1 21 21 GLN CB C 21 32.900 32.900 33.625 -0.725 26059 10327 1 15 . 1 1 21 21 GLN H H 21 9.240 9.240 8.238 1.002 26059 10328 1 15 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.420 -0.790 26059 10329 1 15 . 1 1 22 22 VAL C C 22 176.500 176.500 175.120 1.380 26059 10330 1 15 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.136 2.894 26059 10331 1 15 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.192 -2.592 26059 10332 1 15 . 1 1 23 23 ARG N N 23 127.840 127.840 124.919 2.921 26059 10333 1 15 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.629 -0.499 26059 10334 1 15 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.989 1.211 26059 10335 1 15 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.037 1.113 26059 10336 1 15 . 1 1 23 23 ARG H H 23 8.720 8.720 8.741 -0.021 26059 10337 1 15 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.172 -0.132 26059 10338 1 15 . 1 1 24 24 LYS C C 24 176.960 176.960 176.331 0.629 26059 10339 1 15 . 1 1 24 24 LYS CA C 24 58.800 58.800 58.042 0.758 26059 10340 1 15 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.690 -0.630 26059 10341 1 15 . 1 1 25 25 LYS N N 25 115.870 115.870 119.144 -3.274 26059 10342 1 15 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.724 0.106 26059 10343 1 15 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.474 -0.514 26059 10344 1 15 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.615 1.465 26059 10345 1 15 . 1 1 25 25 LYS H H 25 7.720 7.720 7.645 0.075 26059 10346 1 15 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.472 0.358 26059 10347 1 15 . 1 1 26 26 PRO C C 26 177.400 177.400 176.892 0.508 26059 10348 1 15 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.172 -0.522 26059 10349 1 15 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.260 0.130 26059 10350 1 15 . 1 1 27 27 THR N N 27 111.270 111.270 114.422 -3.152 26059 10351 1 15 . 1 1 27 27 THR HA H 27 4.530 4.530 4.263 0.267 26059 10352 1 15 . 1 1 27 27 THR C C 27 177.300 177.300 176.942 0.358 26059 10353 1 15 . 1 1 27 27 THR CA C 27 61.300 61.300 61.038 0.262 26059 10354 1 15 . 1 1 27 27 THR CB C 27 71.460 71.460 70.061 1.399 26059 10355 1 15 . 1 1 27 27 THR H H 27 8.380 8.380 8.318 0.062 26059 10356 1 15 . 1 1 28 28 VAL N N 28 121.170 121.170 121.530 -0.360 26059 10357 1 15 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.871 0.012 26059 10358 1 15 . 1 1 28 28 VAL C C 28 177.030 177.030 176.308 0.722 26059 10359 1 15 . 1 1 28 28 VAL CA C 28 65.200 65.200 65.117 0.083 26059 10360 1 15 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.675 -0.275 26059 10361 1 15 . 1 1 28 28 VAL H H 28 8.910 8.910 8.510 0.400 26059 10362 1 15 . 1 1 29 29 GLU N N 29 116.800 116.800 119.619 -2.819 26059 10363 1 15 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.028 -0.108 26059 10364 1 15 . 1 1 29 29 GLU C C 29 176.200 176.200 176.440 -0.240 26059 10365 1 15 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.521 1.729 26059 10366 1 15 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.596 -0.426 26059 10367 1 15 . 1 1 29 29 GLU H H 29 7.990 7.990 8.167 -0.177 26059 10368 1 15 . 1 1 30 30 GLY N N 30 105.500 105.500 107.403 -1.903 26059 10369 1 15 . 1 1 30 30 GLY C C 30 174.900 174.900 173.774 1.126 26059 10370 1 15 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.186 -0.726 26059 10371 1 15 . 1 1 30 30 GLY H H 30 7.950 7.950 7.542 0.408 26059 10372 1 15 . 1 1 31 31 PHE N N 31 119.300 119.300 118.501 0.799 26059 10373 1 15 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.966 -0.206 26059 10374 1 15 . 1 1 31 31 PHE C C 31 176.400 176.400 176.120 0.280 26059 10375 1 15 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.499 1.401 26059 10376 1 15 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.912 -4.412 26059 10377 1 15 . 1 1 31 31 PHE H H 31 7.520 7.520 7.455 0.065 26059 10378 1 15 . 1 1 32 32 THR N N 32 112.300 112.300 116.239 -3.939 26059 10379 1 15 . 1 1 32 32 THR HA H 32 4.330 4.330 4.378 -0.048 26059 10380 1 15 . 1 1 32 32 THR C C 32 175.200 175.200 174.455 0.745 26059 10381 1 15 . 1 1 32 32 THR CA C 32 62.780 62.780 63.231 -0.451 26059 10382 1 15 . 1 1 32 32 THR CB C 32 70.350 70.350 69.641 0.709 26059 10383 1 15 . 1 1 32 32 THR H H 32 7.770 7.770 8.853 -1.083 26059 10384 1 15 . 1 1 33 33 HIS N N 33 121.900 121.900 121.042 0.858 26059 10385 1 15 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.412 0.088 26059 10386 1 15 . 1 1 33 33 HIS C C 33 173.880 173.880 173.542 0.338 26059 10387 1 15 . 1 1 33 33 HIS CA C 33 56.780 56.780 56.197 0.583 26059 10388 1 15 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.233 2.407 26059 10389 1 15 . 1 1 33 33 HIS H H 33 9.110 9.110 8.781 0.329 26059 10390 1 15 . 1 1 34 34 ASP N N 34 120.300 120.300 122.791 -2.491 26059 10391 1 15 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.513 -0.113 26059 10392 1 15 . 1 1 34 34 ASP C C 34 175.100 175.100 175.151 -0.051 26059 10393 1 15 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.586 -0.276 26059 10394 1 15 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.434 -0.434 26059 10395 1 15 . 1 1 34 34 ASP H H 34 8.810 8.810 8.907 -0.097 26059 10396 1 15 . 1 1 35 35 TRP N N 35 119.800 119.800 123.054 -3.254 26059 10397 1 15 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.674 0.056 26059 10398 1 15 . 1 1 35 35 TRP C C 35 174.900 174.900 173.663 1.237 26059 10399 1 15 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.268 0.632 26059 10400 1 15 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.734 1.936 26059 10401 1 15 . 1 1 35 35 TRP H H 35 9.250 9.250 8.762 0.488 26059 10402 1 15 . 1 1 36 36 MET N N 36 120.980 120.980 123.521 -2.541 26059 10403 1 15 . 1 1 36 36 MET HA H 36 5.750 5.750 5.851 -0.101 26059 10404 1 15 . 1 1 36 36 MET C C 36 173.700 173.700 174.703 -1.003 26059 10405 1 15 . 1 1 36 36 MET CA C 36 54.830 54.830 53.820 1.010 26059 10406 1 15 . 1 1 36 36 MET CB C 36 35.220 35.220 35.923 -0.703 26059 10407 1 15 . 1 1 36 36 MET H H 36 9.080 9.080 8.805 0.275 26059 10408 1 15 . 1 1 37 37 VAL N N 37 126.220 126.220 122.059 4.161 26059 10409 1 15 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.070 0.240 26059 10410 1 15 . 1 1 37 37 VAL C C 37 172.300 172.300 174.525 -2.225 26059 10411 1 15 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.573 -1.033 26059 10412 1 15 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.219 1.851 26059 10413 1 15 . 1 1 37 37 VAL H H 37 9.080 9.080 8.911 0.169 26059 10414 1 15 . 1 1 38 38 PHE N N 38 120.640 120.640 117.859 2.781 26059 10415 1 15 . 1 1 38 38 PHE HA H 38 5.970 5.970 5.922 0.048 26059 10416 1 15 . 1 1 38 38 PHE C C 38 172.960 172.960 173.566 -0.606 26059 10417 1 15 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.487 0.643 26059 10418 1 15 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.349 0.651 26059 10419 1 15 . 1 1 38 38 PHE H H 38 8.320 8.320 8.599 -0.279 26059 10420 1 15 . 1 1 39 39 VAL N N 39 116.500 116.500 117.552 -1.052 26059 10421 1 15 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.884 -0.874 26059 10422 1 15 . 1 1 39 39 VAL C C 39 174.700 174.700 174.921 -0.221 26059 10423 1 15 . 1 1 39 39 VAL CA C 39 61.640 61.640 59.973 1.667 26059 10424 1 15 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.050 0.350 26059 10425 1 15 . 1 1 39 39 VAL H H 39 8.580 8.580 9.009 -0.429 26059 10426 1 15 . 1 1 40 40 ARG N N 40 124.100 124.100 124.136 -0.036 26059 10427 1 15 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.158 -0.078 26059 10428 1 15 . 1 1 40 40 ARG C C 40 173.800 173.800 175.439 -1.639 26059 10429 1 15 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.367 0.933 26059 10430 1 15 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.316 -0.736 26059 10431 1 15 . 1 1 40 40 ARG H H 40 9.880 9.880 8.787 1.093 26059 10432 1 15 . 1 1 41 41 GLY N N 41 107.640 107.640 107.927 -0.287 26059 10433 1 15 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.504 1.466 26059 10434 1 15 . 1 1 41 41 GLY H H 41 8.910 8.910 8.033 0.877 26059 10435 1 15 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.238 0.252 26059 10436 1 15 . 1 1 42 42 PRO C C 42 177.300 177.300 176.730 0.570 26059 10437 1 15 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.723 -1.283 26059 10438 1 15 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.634 0.476 26059 10439 1 15 . 1 1 43 43 GLU N N 43 121.050 121.050 123.150 -2.100 26059 10440 1 15 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.994 -0.204 26059 10441 1 15 . 1 1 43 43 GLU C C 43 176.110 176.110 175.695 0.415 26059 10442 1 15 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.553 0.296 26059 10443 1 15 . 1 1 43 43 GLU CB C 43 27.850 27.850 26.878 0.972 26059 10444 1 15 . 1 1 43 43 GLU H H 43 9.060 9.060 8.944 0.116 26059 10445 1 15 . 1 1 44 44 HIS N N 44 114.100 114.100 113.196 0.904 26059 10446 1 15 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.170 0.181 26059 10447 1 15 . 1 1 44 44 HIS C C 44 175.170 175.170 174.090 1.080 26059 10448 1 15 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.180 0.470 26059 10449 1 15 . 1 1 44 44 HIS CB C 44 28.370 28.370 29.412 -1.042 26059 10450 1 15 . 1 1 44 44 HIS H H 44 8.420 8.420 8.353 0.067 26059 10451 1 15 . 1 1 45 45 SER N N 45 115.540 115.540 115.228 0.312 26059 10452 1 15 . 1 1 45 45 SER HA H 45 4.560 4.560 4.229 0.331 26059 10453 1 15 . 1 1 45 45 SER C C 45 173.700 173.700 174.576 -0.876 26059 10454 1 15 . 1 1 45 45 SER CA C 45 58.710 58.710 59.194 -0.484 26059 10455 1 15 . 1 1 45 45 SER CB C 45 64.500 64.500 64.187 0.313 26059 10456 1 15 . 1 1 45 45 SER H H 45 7.870 7.870 7.559 0.311 26059 10457 1 15 . 1 1 46 46 ASN N N 46 123.900 123.900 123.498 0.402 26059 10458 1 15 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.650 0.470 26059 10459 1 15 . 1 1 46 46 ASN C C 46 176.300 176.300 175.439 0.861 26059 10460 1 15 . 1 1 46 46 ASN CA C 46 52.690 52.690 52.962 -0.273 26059 10461 1 15 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.314 -0.584 26059 10462 1 15 . 1 1 46 46 ASN H H 46 9.480 9.480 8.802 0.678 26059 10463 1 15 . 1 1 47 47 ILE N N 47 115.240 115.240 119.741 -4.501 26059 10464 1 15 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.085 -0.145 26059 10465 1 15 . 1 1 47 47 ILE C C 47 176.000 176.000 176.630 -0.630 26059 10466 1 15 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.207 1.993 26059 10467 1 15 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.019 -0.319 26059 10468 1 15 . 1 1 47 47 ILE H H 47 8.170 8.170 8.439 -0.269 26059 10469 1 15 . 1 1 48 48 GLN N N 48 123.200 123.200 120.415 2.785 26059 10470 1 15 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.184 0.096 26059 10471 1 15 . 1 1 48 48 GLN C C 48 175.670 175.670 176.832 -1.162 26059 10472 1 15 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.220 -0.320 26059 10473 1 15 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.937 -0.947 26059 10474 1 15 . 1 1 48 48 GLN H H 48 8.850 8.850 8.279 0.571 26059 10475 1 15 . 1 1 49 49 HIS N N 49 115.400 115.400 116.952 -1.552 26059 10476 1 15 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.349 0.221 26059 10477 1 15 . 1 1 49 49 HIS C C 49 176.380 176.380 176.395 -0.015 26059 10478 1 15 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.247 -0.497 26059 10479 1 15 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.394 1.226 26059 10480 1 15 . 1 1 49 49 HIS H H 49 7.400 7.400 7.772 -0.372 26059 10481 1 15 . 1 1 50 50 PHE N N 50 109.800 109.800 111.268 -1.468 26059 10482 1 15 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.832 0.398 26059 10483 1 15 . 1 1 50 50 PHE C C 50 173.800 173.800 174.690 -0.890 26059 10484 1 15 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.066 -0.406 26059 10485 1 15 . 1 1 50 50 PHE CB C 50 41.000 41.000 39.911 1.089 26059 10486 1 15 . 1 1 50 50 PHE H H 50 7.570 7.570 7.418 0.152 26059 10487 1 15 . 1 1 51 51 VAL N N 51 127.810 127.810 121.603 6.207 26059 10488 1 15 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.777 -0.407 26059 10489 1 15 . 1 1 51 51 VAL C C 51 174.500 174.500 175.662 -1.162 26059 10490 1 15 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.366 0.634 26059 10491 1 15 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.847 0.433 26059 10492 1 15 . 1 1 51 51 VAL H H 51 7.810 7.810 8.132 -0.322 26059 10493 1 15 . 1 1 52 52 GLU N N 52 130.700 130.700 127.741 2.959 26059 10494 1 15 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.456 -0.476 26059 10495 1 15 . 1 1 52 52 GLU C C 52 175.400 175.400 175.905 -0.505 26059 10496 1 15 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.498 0.502 26059 10497 1 15 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.347 0.233 26059 10498 1 15 . 1 1 52 52 GLU H H 52 9.380 9.380 8.895 0.485 26059 10499 1 15 . 1 1 53 53 LYS N N 53 109.200 109.200 117.469 -8.269 26059 10500 1 15 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.777 0.023 26059 10501 1 15 . 1 1 53 53 LYS C C 53 172.300 172.300 173.869 -1.569 26059 10502 1 15 . 1 1 53 53 LYS CA C 53 54.840 54.840 55.178 -0.338 26059 10503 1 15 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.935 -1.685 26059 10504 1 15 . 1 1 53 53 LYS H H 53 7.190 7.190 7.590 -0.400 26059 10505 1 15 . 1 1 54 54 VAL N N 54 120.380 120.380 120.646 -0.266 26059 10506 1 15 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.843 -0.073 26059 10507 1 15 . 1 1 54 54 VAL C C 54 173.600 173.600 173.737 -0.137 26059 10508 1 15 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.347 0.693 26059 10509 1 15 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.925 -1.225 26059 10510 1 15 . 1 1 54 54 VAL H H 54 8.450 8.450 8.422 0.028 26059 10511 1 15 . 1 1 55 55 VAL N N 55 126.920 126.920 121.623 5.297 26059 10512 1 15 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.255 -0.555 26059 10513 1 15 . 1 1 55 55 VAL C C 55 173.800 173.800 173.445 0.355 26059 10514 1 15 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.530 1.340 26059 10515 1 15 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.943 -1.843 26059 10516 1 15 . 1 1 55 55 VAL H H 55 9.260 9.260 8.611 0.649 26059 10517 1 15 . 1 1 56 56 PHE N N 56 126.130 126.130 127.146 -1.016 26059 10518 1 15 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.918 -0.196 26059 10519 1 15 . 1 1 56 56 PHE C C 56 174.000 174.000 175.011 -1.011 26059 10520 1 15 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.062 0.518 26059 10521 1 15 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.716 0.174 26059 10522 1 15 . 1 1 56 56 PHE H H 56 9.290 9.290 9.174 0.116 26059 10523 1 15 . 1 1 57 57 HIS N N 57 124.180 124.180 125.290 -1.110 26059 10524 1 15 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.918 -0.118 26059 10525 1 15 . 1 1 57 57 HIS C C 57 174.700 174.700 175.097 -0.397 26059 10526 1 15 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.737 -1.417 26059 10527 1 15 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.188 1.912 26059 10528 1 15 . 1 1 57 57 HIS H H 57 8.690 8.690 8.366 0.324 26059 10529 1 15 . 1 1 58 58 LEU N N 58 122.050 122.050 123.951 -1.901 26059 10530 1 15 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.556 -0.246 26059 10531 1 15 . 1 1 58 58 LEU C C 58 174.400 174.400 177.037 -2.637 26059 10532 1 15 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.323 1.087 26059 10533 1 15 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.870 -1.710 26059 10534 1 15 . 1 1 58 58 LEU H H 58 9.050 9.050 8.801 0.249 26059 10535 1 15 . 1 1 59 59 HIS N N 59 118.510 118.510 118.797 -0.287 26059 10536 1 15 . 1 1 59 59 HIS C C 59 175.300 175.300 176.668 -1.368 26059 10537 1 15 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.958 3.152 26059 10538 1 15 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.012 -0.082 26059 10539 1 15 . 1 1 59 59 HIS H H 59 5.160 5.160 7.760 -2.600 26059 10540 1 15 . 1 1 60 60 GLU N N 60 122.190 122.190 125.385 -3.195 26059 10541 1 15 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.083 -0.123 26059 10542 1 15 . 1 1 60 60 GLU C C 60 175.130 175.130 177.237 -2.107 26059 10543 1 15 . 1 1 60 60 GLU CA C 60 59.010 59.010 58.941 0.069 26059 10544 1 15 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.650 0.170 26059 10545 1 15 . 1 1 60 60 GLU H H 60 7.960 7.960 8.485 -0.525 26059 10546 1 15 . 1 1 61 61 SER N N 61 116.940 116.940 112.374 4.566 26059 10547 1 15 . 1 1 61 61 SER HA H 61 4.200 4.200 4.478 -0.278 26059 10548 1 15 . 1 1 61 61 SER CA C 61 60.010 60.010 58.789 1.221 26059 10549 1 15 . 1 1 61 61 SER CB C 61 63.140 63.140 63.889 -0.749 26059 10550 1 15 . 1 1 61 61 SER H H 61 8.540 8.540 8.239 0.301 26059 10551 1 15 . 1 1 62 62 PHE N N 62 123.700 123.700 123.296 0.404 26059 10552 1 15 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.833 -0.243 26059 10553 1 15 . 1 1 62 62 PHE CA C 62 57.400 57.400 55.230 2.170 26059 10554 1 15 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.097 -0.697 26059 10555 1 15 . 1 1 62 62 PHE H H 62 8.640 8.640 7.995 0.645 26059 10556 1 15 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.458 -0.048 26059 10557 1 15 . 1 1 63 63 PRO C C 63 176.400 176.400 176.333 0.067 26059 10558 1 15 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.519 -0.919 26059 10559 1 15 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.228 -0.368 26059 10560 1 15 . 1 1 64 64 ARG N N 64 116.840 116.840 120.427 -3.587 26059 10561 1 15 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.168 -0.068 26059 10562 1 15 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.081 -0.471 26059 10563 1 15 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.089 0.741 26059 10564 1 15 . 1 1 64 64 ARG H H 64 8.890 8.890 8.773 0.117 26059 10565 1 15 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.400 -0.410 26059 10566 1 15 . 1 1 65 65 PRO C C 65 175.800 175.800 176.902 -1.102 26059 10567 1 15 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.324 1.486 26059 10568 1 15 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.111 -0.231 26059 10569 1 15 . 1 1 66 66 LYS N N 66 119.035 119.035 119.785 -0.750 26059 10570 1 15 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.488 0.122 26059 10571 1 15 . 1 1 66 66 LYS C C 66 175.400 175.400 175.136 0.264 26059 10572 1 15 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.428 0.025 26059 10573 1 15 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.262 -0.532 26059 10574 1 15 . 1 1 66 66 LYS H H 66 7.630 7.630 7.949 -0.319 26059 10575 1 15 . 1 1 67 67 ARG N N 67 127.394 127.394 127.772 -0.378 26059 10576 1 15 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.665 0.075 26059 10577 1 15 . 1 1 67 67 ARG C C 67 174.500 174.500 175.032 -0.532 26059 10578 1 15 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.621 0.179 26059 10579 1 15 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.834 -0.120 26059 10580 1 15 . 1 1 67 67 ARG H H 67 8.855 8.855 8.612 0.243 26059 10581 1 15 . 1 1 68 68 VAL N N 68 124.388 124.388 120.593 3.795 26059 10582 1 15 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.383 -0.803 26059 10583 1 15 . 1 1 68 68 VAL C C 68 176.850 176.850 175.870 0.980 26059 10584 1 15 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.547 1.526 26059 10585 1 15 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.634 -0.030 26059 10586 1 15 . 1 1 68 68 VAL H H 68 8.681 8.681 8.181 0.500 26059 10587 1 15 . 1 1 69 69 CYS N N 69 127.080 127.080 127.332 -0.252 26059 10588 1 15 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.894 0.176 26059 10589 1 15 . 1 1 69 69 CYS CA C 69 58.346 58.346 57.589 0.757 26059 10590 1 15 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.616 0.554 26059 10591 1 15 . 1 1 69 69 CYS H H 69 9.455 9.455 9.027 0.428 26059 10592 1 15 . 1 1 70 70 LYS N N 70 125.480 125.480 123.496 1.984 26059 10593 1 15 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.636 -0.146 26059 10594 1 15 . 1 1 70 70 LYS C C 70 174.300 174.300 176.589 -2.289 26059 10595 1 15 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.215 0.145 26059 10596 1 15 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.789 -0.619 26059 10597 1 15 . 1 1 70 70 LYS H H 70 9.050 9.050 8.814 0.236 26059 10598 1 15 . 1 1 71 71 ASP N N 71 116.940 116.940 121.398 -4.458 26059 10599 1 15 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.742 0.358 26059 10600 1 15 . 1 1 71 71 ASP CA C 71 51.080 51.080 52.499 -1.419 26059 10601 1 15 . 1 1 71 71 ASP CB C 71 43.380 43.380 39.914 3.466 26059 10602 1 15 . 1 1 71 71 ASP H H 71 7.620 7.620 8.025 -0.405 26059 10603 1 15 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.252 -0.992 26059 10604 1 15 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.753 -2.103 26059 10605 1 15 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.555 -0.515 26059 10606 1 15 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.948 0.152 26059 10607 1 15 . 1 1 73 73 PRO C C 73 174.700 174.700 176.412 -1.712 26059 10608 1 15 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.746 -2.056 26059 10609 1 15 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.611 2.429 26059 10610 1 15 . 1 1 74 74 TYR N N 74 125.400 125.400 124.898 0.502 26059 10611 1 15 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.395 0.455 26059 10612 1 15 . 1 1 74 74 TYR C C 74 172.900 172.900 175.404 -2.504 26059 10613 1 15 . 1 1 74 74 TYR CA C 74 55.670 55.670 59.087 -3.417 26059 10614 1 15 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.760 -1.360 26059 10615 1 15 . 1 1 74 74 TYR H H 74 8.960 8.960 8.306 0.654 26059 10616 1 15 . 1 1 75 75 LYS N N 75 121.400 121.400 120.085 1.315 26059 10617 1 15 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.465 0.125 26059 10618 1 15 . 1 1 75 75 LYS C C 75 173.800 173.800 174.884 -1.084 26059 10619 1 15 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.257 0.393 26059 10620 1 15 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.125 -1.235 26059 10621 1 15 . 1 1 75 75 LYS H H 75 7.670 7.670 7.956 -0.286 26059 10622 1 15 . 1 1 76 76 VAL N N 76 119.800 119.800 122.578 -2.778 26059 10623 1 15 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.284 -0.394 26059 10624 1 15 . 1 1 76 76 VAL C C 76 173.900 173.900 174.467 -0.567 26059 10625 1 15 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.396 1.334 26059 10626 1 15 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.000 0.540 26059 10627 1 15 . 1 1 76 76 VAL H H 76 8.180 8.180 8.568 -0.388 26059 10628 1 15 . 1 1 77 77 GLU N N 77 126.190 126.190 126.251 -0.061 26059 10629 1 15 . 1 1 77 77 GLU HA H 77 4.950 4.950 4.982 -0.032 26059 10630 1 15 . 1 1 77 77 GLU C C 77 174.700 174.700 175.030 -0.330 26059 10631 1 15 . 1 1 77 77 GLU CA C 77 54.940 54.940 55.162 -0.222 26059 10632 1 15 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.757 -0.207 26059 10633 1 15 . 1 1 77 77 GLU H H 77 8.270 8.270 8.653 -0.383 26059 10634 1 15 . 1 1 78 78 GLU N N 78 126.180 126.180 124.476 1.704 26059 10635 1 15 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.581 -0.131 26059 10636 1 15 . 1 1 78 78 GLU C C 78 175.400 175.400 173.754 1.646 26059 10637 1 15 . 1 1 78 78 GLU CA C 78 54.000 54.000 53.636 0.363 26059 10638 1 15 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.605 3.495 26059 10639 1 15 . 1 1 78 78 GLU H H 78 7.870 7.870 8.123 -0.253 26059 10640 1 15 . 1 1 79 79 SER N N 79 112.109 112.109 114.760 -2.651 26059 10641 1 15 . 1 1 79 79 SER HA H 79 5.560 5.560 5.562 -0.002 26059 10642 1 15 . 1 1 79 79 SER C C 79 172.490 172.490 173.515 -1.025 26059 10643 1 15 . 1 1 79 79 SER CA C 79 57.754 57.754 56.245 1.509 26059 10644 1 15 . 1 1 79 79 SER CB C 79 65.861 65.861 65.665 0.196 26059 10645 1 15 . 1 1 79 79 SER H H 79 7.714 7.714 8.391 -0.677 26059 10646 1 15 . 1 1 80 80 GLY N N 80 106.048 106.048 110.395 -4.347 26059 10647 1 15 . 1 1 80 80 GLY C C 80 172.630 172.630 172.075 0.555 26059 10648 1 15 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.239 0.461 26059 10649 1 15 . 1 1 80 80 GLY H H 80 8.828 8.828 9.012 -0.184 26059 10650 1 15 . 1 1 81 81 TYR N N 81 115.280 115.280 113.469 1.811 26059 10651 1 15 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.306 0.374 26059 10652 1 15 . 1 1 81 81 TYR C C 81 174.100 174.100 174.200 -0.100 26059 10653 1 15 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.159 -1.659 26059 10654 1 15 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.137 0.863 26059 10655 1 15 . 1 1 81 81 TYR H H 81 8.770 8.770 8.050 0.720 26059 10656 1 15 . 1 1 82 82 ALA N N 82 122.350 122.350 122.410 -0.060 26059 10657 1 15 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.485 -0.045 26059 10658 1 15 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.303 -0.263 26059 10659 1 15 . 1 1 82 82 ALA CB C 82 22.400 22.400 21.126 1.274 26059 10660 1 15 . 1 1 82 82 ALA H H 82 7.160 7.160 7.080 0.080 26059 10661 1 15 . 1 1 83 83 GLY N N 83 107.100 107.100 108.703 -1.603 26059 10662 1 15 . 1 1 83 83 GLY C C 83 172.500 172.500 173.831 -1.331 26059 10663 1 15 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.682 -0.072 26059 10664 1 15 . 1 1 83 83 GLY H H 83 8.220 8.220 8.283 -0.063 26059 10665 1 15 . 1 1 84 84 PHE N N 84 111.660 111.660 115.016 -3.356 26059 10666 1 15 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.732 -0.042 26059 10667 1 15 . 1 1 84 84 PHE C C 84 172.460 172.460 173.461 -1.001 26059 10668 1 15 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.990 0.510 26059 10669 1 15 . 1 1 84 84 PHE CB C 84 38.580 38.580 40.100 -1.520 26059 10670 1 15 . 1 1 84 84 PHE H H 84 7.700 7.700 8.133 -0.433 26059 10671 1 15 . 1 1 85 85 ILE N N 85 117.810 117.810 121.879 -4.069 26059 10672 1 15 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.055 0.255 26059 10673 1 15 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.574 -1.234 26059 10674 1 15 . 1 1 85 85 ILE CB C 85 35.260 35.260 37.010 -1.750 26059 10675 1 15 . 1 1 85 85 ILE H H 85 8.340 8.340 8.439 -0.099 26059 10676 1 15 . 1 1 86 86 LEU N N 86 108.130 108.130 129.169 -21.039 26059 10677 1 15 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.954 0.026 26059 10678 1 15 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.905 2.295 26059 10679 1 15 . 1 1 86 86 LEU CB C 86 45.300 45.300 44.889 0.411 26059 10680 1 15 . 1 1 86 86 LEU H H 86 9.900 9.900 8.738 1.162 26059 10681 1 15 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.643 0.457 26059 10682 1 15 . 1 1 87 87 PRO C C 87 175.340 175.340 175.807 -0.467 26059 10683 1 15 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.081 0.029 26059 10684 1 15 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.470 0.090 26059 10685 1 15 . 1 1 88 88 ILE N N 88 126.000 126.000 126.581 -0.581 26059 10686 1 15 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.573 0.217 26059 10687 1 15 . 1 1 88 88 ILE C C 88 176.100 176.100 174.930 1.170 26059 10688 1 15 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.231 0.329 26059 10689 1 15 . 1 1 88 88 ILE CB C 88 42.000 42.000 40.037 1.963 26059 10690 1 15 . 1 1 88 88 ILE H H 88 9.380 9.380 8.869 0.511 26059 10691 1 15 . 1 1 89 89 GLU N N 89 123.900 123.900 127.760 -3.860 26059 10692 1 15 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.007 0.193 26059 10693 1 15 . 1 1 89 89 GLU C C 89 173.800 173.800 175.322 -1.522 26059 10694 1 15 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.444 -0.474 26059 10695 1 15 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.897 2.483 26059 10696 1 15 . 1 1 89 89 GLU H H 89 9.320 9.320 8.585 0.735 26059 10697 1 15 . 1 1 90 90 VAL N N 90 123.980 123.980 124.359 -0.379 26059 10698 1 15 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.862 0.298 26059 10699 1 15 . 1 1 90 90 VAL C C 90 174.800 174.800 174.323 0.477 26059 10700 1 15 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.824 -0.434 26059 10701 1 15 . 1 1 90 90 VAL CB C 90 32.490 32.490 33.040 -0.550 26059 10702 1 15 . 1 1 90 90 VAL H H 90 8.630 8.630 7.917 0.713 26059 10703 1 15 . 1 1 91 91 TYR N N 91 124.230 124.230 126.069 -1.839 26059 10704 1 15 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.768 -0.108 26059 10705 1 15 . 1 1 91 91 TYR C C 91 176.800 176.800 175.577 1.223 26059 10706 1 15 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.365 -0.665 26059 10707 1 15 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.479 0.761 26059 10708 1 15 . 1 1 91 91 TYR H H 91 8.640 8.640 8.985 -0.344 26059 10709 1 15 . 1 1 92 92 PHE N N 92 121.200 121.200 122.341 -1.141 26059 10710 1 15 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.625 0.035 26059 10711 1 15 . 1 1 92 92 PHE CA C 92 56.510 56.510 54.966 1.544 26059 10712 1 15 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.459 -0.459 26059 10713 1 15 . 1 1 92 92 PHE H H 92 8.750 8.750 9.264 -0.514 26059 10714 1 15 . 1 1 93 93 LYS N N 93 123.450 123.450 122.733 0.717 26059 10715 1 15 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.698 -0.098 26059 10716 1 15 . 1 1 93 93 LYS C C 93 174.200 174.200 174.962 -0.762 26059 10717 1 15 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.132 0.049 26059 10718 1 15 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.830 -0.150 26059 10719 1 15 . 1 1 93 93 LYS H H 93 8.560 8.560 8.706 -0.146 26059 10720 1 15 . 1 1 94 94 ASN N N 94 118.800 118.800 122.046 -3.246 26059 10721 1 15 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.800 -0.360 26059 10722 1 15 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.693 -1.482 26059 10723 1 15 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.804 -2.004 26059 10724 1 15 . 1 1 94 94 ASN H H 94 7.820 7.820 8.471 -0.651 26059 10725 1 15 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.409 -0.079 26059 10726 1 15 . 1 1 95 95 LYS C C 95 175.800 175.800 176.070 -0.270 26059 10727 1 15 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.504 -0.294 26059 10728 1 15 . 1 1 95 95 LYS CB C 95 33.010 33.010 33.461 -0.451 26059 10729 1 15 . 1 1 96 96 GLU N N 96 118.330 118.330 120.489 -2.159 26059 10730 1 15 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.305 0.205 26059 10731 1 15 . 1 1 96 96 GLU C C 96 173.200 173.200 175.864 -2.664 26059 10732 1 15 . 1 1 96 96 GLU CA C 96 54.100 54.100 55.284 -1.184 26059 10733 1 15 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.615 0.855 26059 10734 1 15 . 1 1 96 96 GLU H H 96 7.120 7.120 8.223 -1.103 26059 10735 1 15 . 1 1 97 97 GLU N N 97 115.630 115.630 119.776 -4.146 26059 10736 1 15 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.068 0.362 26059 10737 1 15 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.617 -1.757 26059 10738 1 15 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.753 0.517 26059 10739 1 15 . 1 1 97 97 GLU H H 97 8.060 8.060 8.626 -0.566 26059 10740 1 15 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.247 0.753 26059 10741 1 15 . 1 1 98 98 PRO C C 98 175.900 175.900 176.841 -0.941 26059 10742 1 15 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.061 -1.901 26059 10743 1 15 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.816 2.184 26059 10744 1 15 . 1 1 99 99 ARG N N 99 122.800 122.800 121.096 1.704 26059 10745 1 15 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.518 0.112 26059 10746 1 15 . 1 1 99 99 ARG C C 99 175.800 175.800 175.484 0.316 26059 10747 1 15 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.724 0.476 26059 10748 1 15 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.358 0.052 26059 10749 1 15 . 1 1 99 99 ARG H H 99 8.602 8.602 8.692 -0.090 26059 10750 1 15 . 1 1 100 100 LYS N N 100 113.220 113.220 117.239 -4.019 26059 10751 1 15 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.978 -0.038 26059 10752 1 15 . 1 1 100 100 LYS C C 100 174.100 174.100 174.775 -0.675 26059 10753 1 15 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.856 -0.465 26059 10754 1 15 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.817 -1.097 26059 10755 1 15 . 1 1 100 100 LYS H H 100 7.650 7.650 7.325 0.325 26059 10756 1 15 . 1 1 101 101 VAL N N 101 116.230 116.230 118.454 -2.224 26059 10757 1 15 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.342 -0.072 26059 10758 1 15 . 1 1 101 101 VAL C C 101 171.600 171.600 173.449 -1.849 26059 10759 1 15 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.206 1.054 26059 10760 1 15 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.265 -0.085 26059 10761 1 15 . 1 1 101 101 VAL H H 101 8.120 8.120 8.266 -0.146 26059 10762 1 15 . 1 1 102 102 ARG N N 102 124.980 124.980 123.926 1.054 26059 10763 1 15 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.631 0.529 26059 10764 1 15 . 1 1 102 102 ARG C C 102 174.340 174.340 174.862 -0.522 26059 10765 1 15 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.904 -1.154 26059 10766 1 15 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.486 1.864 26059 10767 1 15 . 1 1 102 102 ARG H H 102 7.930 7.930 8.078 -0.148 26059 10768 1 15 . 1 1 103 103 PHE N N 103 124.590 124.590 125.739 -1.149 26059 10769 1 15 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.699 0.093 26059 10770 1 15 . 1 1 103 103 PHE C C 103 174.280 174.280 174.606 -0.326 26059 10771 1 15 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.554 0.926 26059 10772 1 15 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.000 2.250 26059 10773 1 15 . 1 1 103 103 PHE H H 103 9.390 9.390 9.154 0.236 26059 10774 1 15 . 1 1 104 104 ASP N N 104 124.700 124.700 124.691 0.009 26059 10775 1 15 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.560 0.239 26059 10776 1 15 . 1 1 104 104 ASP C C 104 174.500 174.500 174.659 -0.159 26059 10777 1 15 . 1 1 104 104 ASP CA C 104 54.390 54.390 54.051 0.339 26059 10778 1 15 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.688 -0.458 26059 10779 1 15 . 1 1 104 104 ASP H H 104 9.010 9.010 8.932 0.078 26059 10780 1 15 . 1 1 105 105 TYR N N 105 129.840 129.840 124.178 5.662 26059 10781 1 15 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.694 -0.624 26059 10782 1 15 . 1 1 105 105 TYR C C 105 173.100 173.100 173.097 0.003 26059 10783 1 15 . 1 1 105 105 TYR CA C 105 58.680 58.680 57.103 1.577 26059 10784 1 15 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.553 -0.703 26059 10785 1 15 . 1 1 105 105 TYR H H 105 8.140 8.140 8.167 -0.027 26059 10786 1 15 . 1 1 106 106 ASP N N 106 126.800 126.800 125.986 0.814 26059 10787 1 15 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.391 -0.171 26059 10788 1 15 . 1 1 106 106 ASP C C 106 172.900 172.900 174.164 -1.264 26059 10789 1 15 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.484 0.026 26059 10790 1 15 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.989 -2.489 26059 10791 1 15 . 1 1 106 106 ASP H H 106 7.730 7.730 8.084 -0.354 26059 10792 1 15 . 1 1 107 107 LEU N N 107 132.150 132.150 128.341 3.809 26059 10793 1 15 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.488 -0.648 26059 10794 1 15 . 1 1 107 107 LEU C C 107 172.100 172.100 174.597 -2.497 26059 10795 1 15 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.458 -0.258 26059 10796 1 15 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.930 -1.690 26059 10797 1 15 . 1 1 107 107 LEU H H 107 7.770 7.770 7.744 0.026 26059 10798 1 15 . 1 1 108 108 PHE N N 108 118.960 118.960 121.418 -2.458 26059 10799 1 15 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.892 -0.202 26059 10800 1 15 . 1 1 108 108 PHE C C 108 174.300 174.300 173.709 0.591 26059 10801 1 15 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.529 -0.839 26059 10802 1 15 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.975 -0.685 26059 10803 1 15 . 1 1 108 108 PHE H H 108 6.060 6.060 7.282 -1.222 26059 10804 1 15 . 1 1 109 109 LEU N N 109 118.900 118.900 120.422 -1.522 26059 10805 1 15 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.718 -0.318 26059 10806 1 15 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.394 -1.234 26059 10807 1 15 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.507 -2.427 26059 10808 1 15 . 1 1 109 109 LEU H H 109 8.388 8.388 8.224 0.164 26059 10809 1 15 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.395 0.045 26059 10810 1 15 . 1 1 111 111 LEU C C 111 177.300 177.300 177.504 -0.204 26059 10811 1 15 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.022 -0.801 26059 10812 1 15 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.531 1.339 26059 10813 1 15 . 1 1 112 112 GLU N N 112 120.660 120.660 119.633 1.027 26059 10814 1 15 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.160 0.010 26059 10815 1 15 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.485 -0.025 26059 10816 1 15 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.810 -0.620 26059 10817 1 15 . 1 1 112 112 GLU H H 112 8.780 8.780 8.717 0.063 26059 10818 1 15 . 1 1 113 113 GLY C C 113 173.900 173.900 174.202 -0.302 26059 10819 1 15 . 1 1 113 113 GLY CA C 113 44.950 44.950 46.012 -1.062 26059 10820 1 15 . 1 1 114 114 HIS N N 114 120.890 120.890 121.783 -0.893 26059 10821 1 15 . 1 1 114 114 HIS HA H 114 4.906 4.906 5.027 -0.121 26059 10822 1 15 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.870 0.900 26059 10823 1 15 . 1 1 114 114 HIS CB C 114 30.590 30.590 31.365 -0.775 26059 10824 1 15 . 1 1 114 114 HIS H H 114 7.934 7.934 7.910 0.024 26059 10825 1 15 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.978 -0.178 26059 10826 1 15 . 1 1 115 115 PRO CA C 115 62.090 62.090 60.913 1.177 26059 10827 1 15 . 1 1 115 115 PRO CB C 115 30.680 30.680 31.830 -1.150 26059 10828 1 15 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.523 -0.313 26059 10829 1 15 . 1 1 116 116 PRO C C 116 176.600 176.600 175.625 0.975 26059 10830 1 15 . 1 1 116 116 PRO CB C 116 32.300 32.300 31.822 0.478 26059 10831 1 15 . 1 1 117 117 VAL N N 117 127.480 127.480 125.693 1.787 26059 10832 1 15 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.264 -0.474 26059 10833 1 15 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.944 0.756 26059 10834 1 15 . 1 1 117 117 VAL CB C 117 33.200 33.200 33.408 -0.208 26059 10835 1 15 . 1 1 117 117 VAL H H 117 8.890 8.890 7.850 1.040 26059 10836 1 15 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.048 -0.058 26059 10837 1 15 . 1 1 118 118 ASN C C 118 172.700 172.700 173.648 -0.948 26059 10838 1 15 . 1 1 118 118 ASN CA C 118 53.360 53.360 53.343 0.017 26059 10839 1 15 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.079 -0.879 26059 10840 1 15 . 1 1 119 119 HIS N N 119 124.930 124.930 125.898 -0.968 26059 10841 1 15 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.114 -0.294 26059 10842 1 15 . 1 1 119 119 HIS C C 119 173.500 173.500 173.059 0.441 26059 10843 1 15 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.139 1.831 26059 10844 1 15 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.465 0.805 26059 10845 1 15 . 1 1 119 119 HIS H H 119 8.790 8.790 8.493 0.297 26059 10846 1 15 . 1 1 120 120 LEU N N 120 128.280 128.280 124.342 3.938 26059 10847 1 15 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.647 0.303 26059 10848 1 15 . 1 1 120 120 LEU C C 120 174.030 174.030 175.543 -1.513 26059 10849 1 15 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.559 0.440 26059 10850 1 15 . 1 1 120 120 LEU CB C 120 46.600 46.600 45.137 1.463 26059 10851 1 15 . 1 1 120 120 LEU H H 120 7.460 7.460 8.364 -0.904 26059 10852 1 15 . 1 1 121 121 ARG N N 121 128.060 128.060 121.995 6.065 26059 10853 1 15 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.615 0.025 26059 10854 1 15 . 1 1 121 121 ARG C C 121 173.400 173.400 173.825 -0.425 26059 10855 1 15 . 1 1 121 121 ARG CA C 121 54.360 54.360 55.093 -0.733 26059 10856 1 15 . 1 1 121 121 ARG CB C 121 34.260 34.260 34.407 -0.147 26059 10857 1 15 . 1 1 121 121 ARG H H 121 9.860 9.860 8.392 1.468 26059 10858 1 15 . 1 1 122 122 CYS N N 122 125.290 125.290 123.463 1.827 26059 10859 1 15 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.384 -0.364 26059 10860 1 15 . 1 1 122 122 CYS C C 122 174.600 174.600 174.093 0.507 26059 10861 1 15 . 1 1 122 122 CYS CA C 122 58.290 58.290 56.939 1.351 26059 10862 1 15 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.632 -1.602 26059 10863 1 15 . 1 1 122 122 CYS H H 122 8.835 8.835 8.656 0.179 26059 10864 1 15 . 1 1 123 123 GLU N N 123 125.920 125.920 125.017 0.903 26059 10865 1 15 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.499 0.181 26059 10866 1 15 . 1 1 123 123 GLU C C 123 174.500 174.500 175.022 -0.522 26059 10867 1 15 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.620 -0.200 26059 10868 1 15 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.189 0.394 26059 10869 1 15 . 1 1 123 123 GLU H H 123 8.970 8.970 8.925 0.045 26059 10870 1 15 . 1 1 124 124 LYS N N 124 121.837 121.837 125.619 -3.782 26059 10871 1 15 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.845 0.115 26059 10872 1 15 . 1 1 124 124 LYS C C 124 175.700 175.700 176.056 -0.356 26059 10873 1 15 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.493 -0.136 26059 10874 1 15 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.615 0.573 26059 10875 1 15 . 1 1 124 124 LYS H H 124 8.652 8.652 8.548 0.104 26059 10876 1 15 . 1 1 125 125 LEU N N 125 127.000 127.000 129.522 -2.522 26059 10877 1 15 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.503 0.147 26059 10878 1 15 . 1 1 125 125 LEU C C 125 175.110 175.110 175.272 -0.162 26059 10879 1 15 . 1 1 125 125 LEU CA C 125 53.854 53.854 53.842 0.012 26059 10880 1 15 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.905 1.362 26059 10881 1 15 . 1 1 125 125 LEU H H 125 9.175 9.175 9.128 0.047 26059 10882 1 15 . 1 1 126 126 THR N N 126 117.779 117.779 120.652 -2.873 26059 10883 1 15 . 1 1 126 126 THR HA H 126 4.650 4.650 4.577 0.073 26059 10884 1 15 . 1 1 126 126 THR C C 126 173.200 173.200 173.619 -0.419 26059 10885 1 15 . 1 1 126 126 THR CA C 126 62.036 62.036 62.163 -0.127 26059 10886 1 15 . 1 1 126 126 THR CB C 126 70.284 70.284 69.517 0.767 26059 10887 1 15 . 1 1 126 126 THR H H 126 8.331 8.331 8.397 -0.066 26059 10888 1 15 . 1 1 127 127 PHE N N 127 126.576 126.576 127.206 -0.630 26059 10889 1 15 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.736 -0.146 26059 10890 1 15 . 1 1 127 127 PHE C C 127 174.860 174.860 174.248 0.612 26059 10891 1 15 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.631 1.233 26059 10892 1 15 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.082 -1.082 26059 10893 1 15 . 1 1 127 127 PHE H H 127 9.051 9.051 9.147 -0.096 26059 10894 1 15 . 1 1 128 128 ASN N N 128 123.040 123.040 122.060 0.980 26059 10895 1 15 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.734 -0.114 26059 10896 1 15 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.379 1.101 26059 10897 1 15 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.638 0.822 26059 10898 1 15 . 1 1 128 128 ASN H H 128 8.880 8.880 8.858 0.022 26059 10899 1 15 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.559 0.201 26059 10900 1 15 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.752 -0.852 26059 10901 1 15 . 1 1 129 129 ASN CB C 129 38.730 38.730 37.199 1.531 26059 10902 1 15 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.502 0.288 26059 10903 1 15 . 1 1 130 130 PRO C C 130 177.470 177.470 176.292 1.178 26059 10904 1 15 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.567 0.007 26059 10905 1 15 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.289 0.021 26059 10906 1 15 . 1 1 131 131 THR N N 131 113.400 113.400 111.226 2.174 26059 10907 1 15 . 1 1 131 131 THR HA H 131 4.300 4.300 4.339 -0.039 26059 10908 1 15 . 1 1 131 131 THR C C 131 175.200 175.200 175.995 -0.795 26059 10909 1 15 . 1 1 131 131 THR CA C 131 62.200 62.200 61.831 0.369 26059 10910 1 15 . 1 1 131 131 THR CB C 131 70.600 70.600 70.704 -0.104 26059 10911 1 15 . 1 1 131 131 THR H H 131 8.950 8.950 8.046 0.904 26059 10912 1 15 . 1 1 132 132 GLU N N 132 122.199 122.199 125.252 -3.053 26059 10913 1 15 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.902 0.108 26059 10914 1 15 . 1 1 132 132 GLU C C 132 178.700 178.700 178.016 0.684 26059 10915 1 15 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.679 -0.385 26059 10916 1 15 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.609 -0.448 26059 10917 1 15 . 1 1 132 132 GLU H H 132 8.932 8.932 9.105 -0.173 26059 10918 1 15 . 1 1 133 133 ASP N N 133 116.324 116.324 117.885 -1.561 26059 10919 1 15 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.394 -0.064 26059 10920 1 15 . 1 1 133 133 ASP C C 133 177.800 177.800 178.298 -0.498 26059 10921 1 15 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.731 0.629 26059 10922 1 15 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.766 2.057 26059 10923 1 15 . 1 1 133 133 ASP H H 133 8.490 8.490 8.766 -0.276 26059 10924 1 15 . 1 1 134 134 PHE N N 134 119.914 119.914 122.360 -2.446 26059 10925 1 15 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.196 0.414 26059 10926 1 15 . 1 1 134 134 PHE C C 134 177.300 177.300 177.018 0.282 26059 10927 1 15 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.433 -0.895 26059 10928 1 15 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.338 -0.138 26059 10929 1 15 . 1 1 134 134 PHE H H 134 7.787 7.787 7.418 0.369 26059 10930 1 15 . 1 1 135 135 ARG N N 135 119.794 119.794 120.544 -0.750 26059 10931 1 15 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.774 -0.424 26059 10932 1 15 . 1 1 135 135 ARG C C 135 177.370 177.370 178.128 -0.758 26059 10933 1 15 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.045 0.331 26059 10934 1 15 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.045 0.351 26059 10935 1 15 . 1 1 135 135 ARG H H 135 9.087 9.087 8.381 0.706 26059 10936 1 15 . 1 1 136 136 ARG N N 136 114.554 114.554 118.768 -4.214 26059 10937 1 15 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.982 -0.162 26059 10938 1 15 . 1 1 136 136 ARG C C 136 178.950 178.950 178.595 0.355 26059 10939 1 15 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.549 -0.249 26059 10940 1 15 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.017 0.200 26059 10941 1 15 . 1 1 136 136 ARG H H 136 7.747 7.747 8.443 -0.696 26059 10942 1 15 . 1 1 137 137 LYS N N 137 118.298 118.298 119.106 -0.808 26059 10943 1 15 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.014 -0.114 26059 10944 1 15 . 1 1 137 137 LYS C C 137 177.980 177.980 178.847 -0.867 26059 10945 1 15 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.425 0.971 26059 10946 1 15 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.263 0.184 26059 10947 1 15 . 1 1 137 137 LYS H H 137 7.154 7.154 7.457 -0.303 26059 10948 1 15 . 1 1 138 138 LEU N N 138 117.159 117.159 119.119 -1.960 26059 10949 1 15 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.802 -0.382 26059 10950 1 15 . 1 1 138 138 LEU C C 138 179.100 179.100 178.449 0.651 26059 10951 1 15 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.195 0.036 26059 10952 1 15 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.619 0.709 26059 10953 1 15 . 1 1 138 138 LEU H H 138 7.709 7.709 7.762 -0.053 26059 10954 1 15 . 1 1 139 139 LEU N N 139 115.158 115.158 116.400 -1.242 26059 10955 1 15 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.144 0.006 26059 10956 1 15 . 1 1 139 139 LEU C C 139 177.600 177.600 178.540 -0.940 26059 10957 1 15 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.529 -1.000 26059 10958 1 15 . 1 1 139 139 LEU CB C 139 41.744 41.744 42.035 -0.291 26059 10959 1 15 . 1 1 139 139 LEU H H 139 7.507 7.507 8.027 -0.520 26059 10960 1 15 . 1 1 140 140 LYS N N 140 120.256 120.256 119.527 0.729 26059 10961 1 15 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.039 0.071 26059 10962 1 15 . 1 1 140 140 LYS C C 140 175.800 175.800 177.216 -1.416 26059 10963 1 15 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.329 -0.277 26059 10964 1 15 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.725 -0.079 26059 10965 1 15 . 1 1 140 140 LYS H H 140 7.304 7.304 7.726 -0.422 26059 10966 1 16 . 1 1 4 4 MET C C 4 175.800 175.800 175.862 -0.062 26059 10967 1 16 . 1 1 4 4 MET CA C 4 55.350 55.350 55.473 -0.123 26059 10968 1 16 . 1 1 4 4 MET CB C 4 32.880 32.880 32.851 0.029 26059 10969 1 16 . 1 1 5 5 ALA N N 5 125.230 125.230 127.778 -2.548 26059 10970 1 16 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.249 0.101 26059 10971 1 16 . 1 1 5 5 ALA CA C 5 52.430 52.430 52.400 0.030 26059 10972 1 16 . 1 1 5 5 ALA CB C 5 19.370 19.370 18.744 0.626 26059 10973 1 16 . 1 1 5 5 ALA H H 5 8.320 8.320 8.651 -0.331 26059 10974 1 16 . 1 1 6 6 SER HA H 6 4.490 4.490 4.581 -0.091 26059 10975 1 16 . 1 1 6 6 SER CA C 6 58.200 58.200 57.406 0.794 26059 10976 1 16 . 1 1 6 6 SER CB C 6 63.700 63.700 65.263 -1.563 26059 10977 1 16 . 1 1 7 7 SER HA H 7 4.530 4.530 4.560 -0.030 26059 10978 1 16 . 1 1 7 7 SER CA C 7 58.200 58.200 58.920 -0.720 26059 10979 1 16 . 1 1 7 7 SER CB C 7 63.700 63.700 62.908 0.792 26059 10980 1 16 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.633 -0.023 26059 10981 1 16 . 1 1 8 8 CYS C C 8 173.500 173.500 172.716 0.784 26059 10982 1 16 . 1 1 8 8 CYS CA C 8 58.340 58.340 57.805 0.535 26059 10983 1 16 . 1 1 8 8 CYS CB C 8 28.490 28.490 28.310 0.180 26059 10984 1 16 . 1 1 9 9 ALA N N 9 124.700 124.700 131.252 -6.552 26059 10985 1 16 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.293 -0.503 26059 10986 1 16 . 1 1 9 9 ALA C C 9 177.400 177.400 176.107 1.293 26059 10987 1 16 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.310 1.760 26059 10988 1 16 . 1 1 9 9 ALA CB C 9 20.629 20.629 21.034 -0.405 26059 10989 1 16 . 1 1 9 9 ALA H H 9 7.960 7.960 8.385 -0.425 26059 10990 1 16 . 1 1 10 10 VAL N N 10 120.124 120.124 123.012 -2.888 26059 10991 1 16 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.391 -0.101 26059 10992 1 16 . 1 1 10 10 VAL C C 10 173.900 173.900 174.859 -0.959 26059 10993 1 16 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.037 0.513 26059 10994 1 16 . 1 1 10 10 VAL CB C 10 34.900 34.900 34.013 0.887 26059 10995 1 16 . 1 1 10 10 VAL H H 10 8.424 8.424 8.610 -0.186 26059 10996 1 16 . 1 1 11 11 GLN N N 11 125.818 125.818 123.881 1.937 26059 10997 1 16 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.276 0.284 26059 10998 1 16 . 1 1 11 11 GLN C C 11 175.400 175.400 175.227 0.173 26059 10999 1 16 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.463 -0.340 26059 11000 1 16 . 1 1 11 11 GLN CB C 11 32.029 32.029 31.284 0.745 26059 11001 1 16 . 1 1 11 11 GLN H H 11 8.636 8.636 8.400 0.236 26059 11002 1 16 . 1 1 12 12 VAL N N 12 119.106 119.106 117.660 1.446 26059 11003 1 16 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.359 0.271 26059 11004 1 16 . 1 1 12 12 VAL C C 12 173.800 173.800 174.386 -0.586 26059 11005 1 16 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.407 0.393 26059 11006 1 16 . 1 1 12 12 VAL CB C 12 35.711 35.711 34.022 1.689 26059 11007 1 16 . 1 1 12 12 VAL H H 12 8.827 8.827 8.546 0.281 26059 11008 1 16 . 1 1 13 13 LYS N N 13 121.700 121.700 121.680 0.020 26059 11009 1 16 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.204 -0.004 26059 11010 1 16 . 1 1 13 13 LYS C C 13 175.030 175.030 175.343 -0.313 26059 11011 1 16 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.355 0.075 26059 11012 1 16 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.115 0.805 26059 11013 1 16 . 1 1 13 13 LYS H H 13 8.234 8.234 8.376 -0.141 26059 11014 1 16 . 1 1 14 14 LEU N N 14 119.100 119.100 123.828 -4.728 26059 11015 1 16 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.379 -0.429 26059 11016 1 16 . 1 1 14 14 LEU C C 14 175.110 175.110 175.652 -0.542 26059 11017 1 16 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.129 0.228 26059 11018 1 16 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.752 1.169 26059 11019 1 16 . 1 1 14 14 LEU H H 14 8.840 8.840 9.118 -0.278 26059 11020 1 16 . 1 1 15 15 GLU N N 15 120.978 120.978 123.465 -2.487 26059 11021 1 16 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.266 -0.276 26059 11022 1 16 . 1 1 15 15 GLU C C 15 173.800 173.800 174.905 -1.105 26059 11023 1 16 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.404 1.024 26059 11024 1 16 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.433 -0.607 26059 11025 1 16 . 1 1 15 15 GLU H H 15 9.181 9.181 9.121 0.060 26059 11026 1 16 . 1 1 16 16 LEU N N 16 124.438 124.438 127.480 -3.042 26059 11027 1 16 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.233 -0.123 26059 11028 1 16 . 1 1 16 16 LEU C C 16 174.700 174.700 176.104 -1.404 26059 11029 1 16 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.895 0.181 26059 11030 1 16 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.109 3.783 26059 11031 1 16 . 1 1 16 16 LEU H H 16 8.891 8.891 8.484 0.407 26059 11032 1 16 . 1 1 17 17 GLY N N 17 108.067 108.067 111.062 -2.995 26059 11033 1 16 . 1 1 17 17 GLY C C 17 170.350 170.350 171.729 -1.379 26059 11034 1 16 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.858 2.127 26059 11035 1 16 . 1 1 17 17 GLY H H 17 7.227 7.227 8.929 -1.702 26059 11036 1 16 . 1 1 18 18 HIS N N 18 111.200 111.200 116.310 -5.110 26059 11037 1 16 . 1 1 18 18 HIS HA H 18 5.620 5.620 4.932 0.688 26059 11038 1 16 . 1 1 18 18 HIS C C 18 172.400 172.400 172.541 -0.141 26059 11039 1 16 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.912 0.028 26059 11040 1 16 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.422 1.738 26059 11041 1 16 . 1 1 18 18 HIS H H 18 8.150 8.150 8.586 -0.436 26059 11042 1 16 . 1 1 19 19 ARG N N 19 117.800 117.800 120.080 -2.280 26059 11043 1 16 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.310 -0.210 26059 11044 1 16 . 1 1 19 19 ARG C C 19 175.800 175.800 174.489 1.311 26059 11045 1 16 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.021 -0.521 26059 11046 1 16 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.104 0.546 26059 11047 1 16 . 1 1 19 19 ARG H H 19 9.010 9.010 8.516 0.494 26059 11048 1 16 . 1 1 20 20 ALA N N 20 120.390 120.390 125.302 -4.912 26059 11049 1 16 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.114 0.426 26059 11050 1 16 . 1 1 20 20 ALA C C 20 175.800 175.800 175.233 0.567 26059 11051 1 16 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.613 0.977 26059 11052 1 16 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.177 1.573 26059 11053 1 16 . 1 1 20 20 ALA H H 20 8.070 8.070 8.544 -0.474 26059 11054 1 16 . 1 1 21 21 GLN N N 21 121.790 121.790 124.245 -2.455 26059 11055 1 16 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.034 0.196 26059 11056 1 16 . 1 1 21 21 GLN CA C 21 54.330 54.330 54.284 0.046 26059 11057 1 16 . 1 1 21 21 GLN CB C 21 32.900 32.900 33.131 -0.231 26059 11058 1 16 . 1 1 21 21 GLN H H 21 9.240 9.240 9.003 0.237 26059 11059 1 16 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.694 -1.064 26059 11060 1 16 . 1 1 22 22 VAL C C 22 176.500 176.500 175.015 1.485 26059 11061 1 16 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.247 2.783 26059 11062 1 16 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.681 -3.081 26059 11063 1 16 . 1 1 23 23 ARG N N 23 127.840 127.840 125.910 1.930 26059 11064 1 16 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.661 -0.531 26059 11065 1 16 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.939 1.261 26059 11066 1 16 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.156 0.994 26059 11067 1 16 . 1 1 23 23 ARG H H 23 8.720 8.720 8.869 -0.149 26059 11068 1 16 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.136 -0.096 26059 11069 1 16 . 1 1 24 24 LYS C C 24 176.960 176.960 176.307 0.653 26059 11070 1 16 . 1 1 24 24 LYS CA C 24 58.800 58.800 58.186 0.614 26059 11071 1 16 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.688 -0.628 26059 11072 1 16 . 1 1 25 25 LYS N N 25 115.870 115.870 119.445 -3.575 26059 11073 1 16 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.711 0.119 26059 11074 1 16 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.498 -0.538 26059 11075 1 16 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.018 2.062 26059 11076 1 16 . 1 1 25 25 LYS H H 25 7.720 7.720 7.755 -0.035 26059 11077 1 16 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.523 0.307 26059 11078 1 16 . 1 1 26 26 PRO C C 26 177.400 177.400 176.866 0.534 26059 11079 1 16 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.285 -0.635 26059 11080 1 16 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.300 0.090 26059 11081 1 16 . 1 1 27 27 THR N N 27 111.270 111.270 114.498 -3.228 26059 11082 1 16 . 1 1 27 27 THR HA H 27 4.530 4.530 4.292 0.238 26059 11083 1 16 . 1 1 27 27 THR C C 27 177.300 177.300 177.061 0.239 26059 11084 1 16 . 1 1 27 27 THR CA C 27 61.300 61.300 61.304 -0.004 26059 11085 1 16 . 1 1 27 27 THR CB C 27 71.460 71.460 69.978 1.482 26059 11086 1 16 . 1 1 27 27 THR H H 27 8.380 8.380 8.392 -0.012 26059 11087 1 16 . 1 1 28 28 VAL N N 28 121.170 121.170 118.834 2.336 26059 11088 1 16 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.941 -0.058 26059 11089 1 16 . 1 1 28 28 VAL C C 28 177.030 177.030 176.125 0.905 26059 11090 1 16 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.773 0.427 26059 11091 1 16 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.490 -0.090 26059 11092 1 16 . 1 1 28 28 VAL H H 28 8.910 8.910 8.509 0.401 26059 11093 1 16 . 1 1 29 29 GLU N N 29 116.800 116.800 120.553 -3.753 26059 11094 1 16 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.057 -0.137 26059 11095 1 16 . 1 1 29 29 GLU C C 29 176.200 176.200 176.541 -0.341 26059 11096 1 16 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.475 1.775 26059 11097 1 16 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.247 -0.077 26059 11098 1 16 . 1 1 29 29 GLU H H 29 7.990 7.990 8.032 -0.042 26059 11099 1 16 . 1 1 30 30 GLY N N 30 105.500 105.500 107.642 -2.142 26059 11100 1 16 . 1 1 30 30 GLY C C 30 174.900 174.900 173.716 1.184 26059 11101 1 16 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.309 -0.849 26059 11102 1 16 . 1 1 30 30 GLY H H 30 7.950 7.950 7.547 0.403 26059 11103 1 16 . 1 1 31 31 PHE N N 31 119.300 119.300 118.371 0.929 26059 11104 1 16 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.955 -0.195 26059 11105 1 16 . 1 1 31 31 PHE C C 31 176.400 176.400 176.147 0.253 26059 11106 1 16 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.646 1.254 26059 11107 1 16 . 1 1 31 31 PHE CB C 31 35.500 35.500 40.194 -4.694 26059 11108 1 16 . 1 1 31 31 PHE H H 31 7.520 7.520 7.454 0.066 26059 11109 1 16 . 1 1 32 32 THR N N 32 112.300 112.300 116.183 -3.883 26059 11110 1 16 . 1 1 32 32 THR HA H 32 4.330 4.330 4.379 -0.049 26059 11111 1 16 . 1 1 32 32 THR C C 32 175.200 175.200 174.456 0.744 26059 11112 1 16 . 1 1 32 32 THR CA C 32 62.780 62.780 63.298 -0.518 26059 11113 1 16 . 1 1 32 32 THR CB C 32 70.350 70.350 69.577 0.773 26059 11114 1 16 . 1 1 32 32 THR H H 32 7.770 7.770 8.872 -1.102 26059 11115 1 16 . 1 1 33 33 HIS N N 33 121.900 121.900 120.893 1.007 26059 11116 1 16 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.542 -0.042 26059 11117 1 16 . 1 1 33 33 HIS C C 33 173.880 173.880 173.773 0.107 26059 11118 1 16 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.732 1.048 26059 11119 1 16 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.365 2.275 26059 11120 1 16 . 1 1 33 33 HIS H H 33 9.110 9.110 8.703 0.407 26059 11121 1 16 . 1 1 34 34 ASP N N 34 120.300 120.300 122.528 -2.228 26059 11122 1 16 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.493 -0.093 26059 11123 1 16 . 1 1 34 34 ASP C C 34 175.100 175.100 174.927 0.173 26059 11124 1 16 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.775 -0.465 26059 11125 1 16 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.886 -0.886 26059 11126 1 16 . 1 1 34 34 ASP H H 34 8.810 8.810 9.130 -0.320 26059 11127 1 16 . 1 1 35 35 TRP N N 35 119.800 119.800 122.088 -2.288 26059 11128 1 16 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.733 -0.003 26059 11129 1 16 . 1 1 35 35 TRP C C 35 174.900 174.900 173.469 1.431 26059 11130 1 16 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.398 0.502 26059 11131 1 16 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.902 1.768 26059 11132 1 16 . 1 1 35 35 TRP H H 35 9.250 9.250 8.881 0.369 26059 11133 1 16 . 1 1 36 36 MET N N 36 120.980 120.980 123.590 -2.610 26059 11134 1 16 . 1 1 36 36 MET HA H 36 5.750 5.750 5.898 -0.148 26059 11135 1 16 . 1 1 36 36 MET C C 36 173.700 173.700 174.625 -0.925 26059 11136 1 16 . 1 1 36 36 MET CA C 36 54.830 54.830 53.789 1.041 26059 11137 1 16 . 1 1 36 36 MET CB C 36 35.220 35.220 36.128 -0.908 26059 11138 1 16 . 1 1 36 36 MET H H 36 9.080 9.080 8.896 0.184 26059 11139 1 16 . 1 1 37 37 VAL N N 37 126.220 126.220 121.897 4.323 26059 11140 1 16 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.068 0.242 26059 11141 1 16 . 1 1 37 37 VAL C C 37 172.300 172.300 174.420 -2.120 26059 11142 1 16 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.605 -1.065 26059 11143 1 16 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.356 1.714 26059 11144 1 16 . 1 1 37 37 VAL H H 37 9.080 9.080 8.863 0.217 26059 11145 1 16 . 1 1 38 38 PHE N N 38 120.640 120.640 117.985 2.655 26059 11146 1 16 . 1 1 38 38 PHE HA H 38 5.970 5.970 5.830 0.140 26059 11147 1 16 . 1 1 38 38 PHE C C 38 172.960 172.960 173.539 -0.579 26059 11148 1 16 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.526 0.604 26059 11149 1 16 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.398 0.602 26059 11150 1 16 . 1 1 38 38 PHE H H 38 8.320 8.320 8.698 -0.378 26059 11151 1 16 . 1 1 39 39 VAL N N 39 116.500 116.500 117.588 -1.088 26059 11152 1 16 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.873 -0.863 26059 11153 1 16 . 1 1 39 39 VAL C C 39 174.700 174.700 174.961 -0.261 26059 11154 1 16 . 1 1 39 39 VAL CA C 39 61.640 61.640 59.935 1.705 26059 11155 1 16 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.213 0.187 26059 11156 1 16 . 1 1 39 39 VAL H H 39 8.580 8.580 8.766 -0.186 26059 11157 1 16 . 1 1 40 40 ARG N N 40 124.100 124.100 122.685 1.415 26059 11158 1 16 . 1 1 40 40 ARG HA H 40 5.080 5.080 4.883 0.197 26059 11159 1 16 . 1 1 40 40 ARG C C 40 173.800 173.800 176.033 -2.233 26059 11160 1 16 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.043 1.257 26059 11161 1 16 . 1 1 40 40 ARG CB C 40 33.580 33.580 33.727 -0.147 26059 11162 1 16 . 1 1 40 40 ARG H H 40 9.880 9.880 8.645 1.235 26059 11163 1 16 . 1 1 41 41 GLY N N 41 107.640 107.640 108.138 -0.498 26059 11164 1 16 . 1 1 41 41 GLY CA C 41 43.970 43.970 43.145 0.825 26059 11165 1 16 . 1 1 41 41 GLY H H 41 8.910 8.910 8.017 0.893 26059 11166 1 16 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.387 0.103 26059 11167 1 16 . 1 1 42 42 PRO C C 42 177.300 177.300 176.092 1.208 26059 11168 1 16 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.076 -0.636 26059 11169 1 16 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.550 0.560 26059 11170 1 16 . 1 1 43 43 GLU N N 43 121.050 121.050 121.091 -0.041 26059 11171 1 16 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.754 0.036 26059 11172 1 16 . 1 1 43 43 GLU C C 43 176.110 176.110 175.297 0.813 26059 11173 1 16 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.453 0.397 26059 11174 1 16 . 1 1 43 43 GLU CB C 43 27.850 27.850 26.867 0.983 26059 11175 1 16 . 1 1 43 43 GLU H H 43 9.060 9.060 8.935 0.125 26059 11176 1 16 . 1 1 44 44 HIS N N 44 114.100 114.100 111.160 2.940 26059 11177 1 16 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.091 0.260 26059 11178 1 16 . 1 1 44 44 HIS C C 44 175.170 175.170 174.389 0.781 26059 11179 1 16 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.288 0.362 26059 11180 1 16 . 1 1 44 44 HIS CB C 44 28.370 28.370 28.500 -0.130 26059 11181 1 16 . 1 1 44 44 HIS H H 44 8.420 8.420 8.196 0.224 26059 11182 1 16 . 1 1 45 45 SER N N 45 115.540 115.540 115.770 -0.230 26059 11183 1 16 . 1 1 45 45 SER HA H 45 4.560 4.560 4.397 0.163 26059 11184 1 16 . 1 1 45 45 SER C C 45 173.700 173.700 174.310 -0.610 26059 11185 1 16 . 1 1 45 45 SER CA C 45 58.710 58.710 59.275 -0.565 26059 11186 1 16 . 1 1 45 45 SER CB C 45 64.500 64.500 63.899 0.601 26059 11187 1 16 . 1 1 45 45 SER H H 45 7.870 7.870 7.600 0.270 26059 11188 1 16 . 1 1 46 46 ASN N N 46 123.900 123.900 122.791 1.109 26059 11189 1 16 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.590 0.530 26059 11190 1 16 . 1 1 46 46 ASN C C 46 176.300 176.300 175.723 0.577 26059 11191 1 16 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.957 -1.267 26059 11192 1 16 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.440 -0.710 26059 11193 1 16 . 1 1 46 46 ASN H H 46 9.480 9.480 8.670 0.810 26059 11194 1 16 . 1 1 47 47 ILE N N 47 115.240 115.240 118.725 -3.485 26059 11195 1 16 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.121 -0.181 26059 11196 1 16 . 1 1 47 47 ILE C C 47 176.000 176.000 176.571 -0.571 26059 11197 1 16 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.268 1.932 26059 11198 1 16 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.360 -0.660 26059 11199 1 16 . 1 1 47 47 ILE H H 47 8.170 8.170 8.487 -0.317 26059 11200 1 16 . 1 1 48 48 GLN N N 48 123.200 123.200 120.652 2.548 26059 11201 1 16 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.214 0.066 26059 11202 1 16 . 1 1 48 48 GLN C C 48 175.670 175.670 177.177 -1.507 26059 11203 1 16 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.497 -0.597 26059 11204 1 16 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.635 -0.645 26059 11205 1 16 . 1 1 48 48 GLN H H 48 8.850 8.850 7.982 0.868 26059 11206 1 16 . 1 1 49 49 HIS N N 49 115.400 115.400 117.435 -2.035 26059 11207 1 16 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.371 0.199 26059 11208 1 16 . 1 1 49 49 HIS C C 49 176.380 176.380 176.815 -0.435 26059 11209 1 16 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.197 -0.447 26059 11210 1 16 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.205 1.415 26059 11211 1 16 . 1 1 49 49 HIS H H 49 7.400 7.400 7.897 -0.497 26059 11212 1 16 . 1 1 50 50 PHE N N 50 109.800 109.800 112.209 -2.409 26059 11213 1 16 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.877 0.353 26059 11214 1 16 . 1 1 50 50 PHE C C 50 173.800 173.800 174.667 -0.867 26059 11215 1 16 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.189 -0.529 26059 11216 1 16 . 1 1 50 50 PHE CB C 50 41.000 41.000 40.207 0.793 26059 11217 1 16 . 1 1 50 50 PHE H H 50 7.570 7.570 7.589 -0.019 26059 11218 1 16 . 1 1 51 51 VAL N N 51 127.810 127.810 121.525 6.285 26059 11219 1 16 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.612 -0.242 26059 11220 1 16 . 1 1 51 51 VAL C C 51 174.500 174.500 175.725 -1.225 26059 11221 1 16 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.899 0.101 26059 11222 1 16 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.565 0.715 26059 11223 1 16 . 1 1 51 51 VAL H H 51 7.810 7.810 8.200 -0.390 26059 11224 1 16 . 1 1 52 52 GLU N N 52 130.700 130.700 129.209 1.491 26059 11225 1 16 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.427 -0.447 26059 11226 1 16 . 1 1 52 52 GLU C C 52 175.400 175.400 175.546 -0.146 26059 11227 1 16 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.419 0.581 26059 11228 1 16 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.773 -0.192 26059 11229 1 16 . 1 1 52 52 GLU H H 52 9.380 9.380 8.748 0.632 26059 11230 1 16 . 1 1 53 53 LYS N N 53 109.200 109.200 118.457 -9.257 26059 11231 1 16 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.615 0.185 26059 11232 1 16 . 1 1 53 53 LYS C C 53 172.300 172.300 174.060 -1.760 26059 11233 1 16 . 1 1 53 53 LYS CA C 53 54.840 54.840 55.520 -0.680 26059 11234 1 16 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.123 -0.873 26059 11235 1 16 . 1 1 53 53 LYS H H 53 7.190 7.190 7.429 -0.239 26059 11236 1 16 . 1 1 54 54 VAL N N 54 120.380 120.380 123.379 -2.999 26059 11237 1 16 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.704 0.066 26059 11238 1 16 . 1 1 54 54 VAL C C 54 173.600 173.600 173.967 -0.367 26059 11239 1 16 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.177 0.863 26059 11240 1 16 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.276 -0.576 26059 11241 1 16 . 1 1 54 54 VAL H H 54 8.450 8.450 8.668 -0.218 26059 11242 1 16 . 1 1 55 55 VAL N N 55 126.920 126.920 121.354 5.566 26059 11243 1 16 . 1 1 55 55 VAL HA H 55 4.700 4.700 4.915 -0.215 26059 11244 1 16 . 1 1 55 55 VAL C C 55 173.800 173.800 173.353 0.447 26059 11245 1 16 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.807 1.063 26059 11246 1 16 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.749 -1.649 26059 11247 1 16 . 1 1 55 55 VAL H H 55 9.260 9.260 8.508 0.752 26059 11248 1 16 . 1 1 56 56 PHE N N 56 126.130 126.130 127.193 -1.063 26059 11249 1 16 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.865 -0.143 26059 11250 1 16 . 1 1 56 56 PHE C C 56 174.000 174.000 174.821 -0.821 26059 11251 1 16 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.194 0.386 26059 11252 1 16 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.713 0.177 26059 11253 1 16 . 1 1 56 56 PHE H H 56 9.290 9.290 8.793 0.497 26059 11254 1 16 . 1 1 57 57 HIS N N 57 124.180 124.180 125.349 -1.169 26059 11255 1 16 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.917 -0.117 26059 11256 1 16 . 1 1 57 57 HIS C C 57 174.700 174.700 175.169 -0.469 26059 11257 1 16 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.504 -1.183 26059 11258 1 16 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.080 2.020 26059 11259 1 16 . 1 1 57 57 HIS H H 57 8.690 8.690 8.334 0.356 26059 11260 1 16 . 1 1 58 58 LEU N N 58 122.050 122.050 124.337 -2.287 26059 11261 1 16 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.455 -0.145 26059 11262 1 16 . 1 1 58 58 LEU C C 58 174.400 174.400 177.030 -2.630 26059 11263 1 16 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.713 0.697 26059 11264 1 16 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.521 -1.361 26059 11265 1 16 . 1 1 58 58 LEU H H 58 9.050 9.050 8.712 0.338 26059 11266 1 16 . 1 1 59 59 HIS N N 59 118.510 118.510 117.896 0.614 26059 11267 1 16 . 1 1 59 59 HIS C C 59 175.300 175.300 176.518 -1.218 26059 11268 1 16 . 1 1 59 59 HIS CA C 59 59.110 59.110 56.045 3.064 26059 11269 1 16 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.255 -0.325 26059 11270 1 16 . 1 1 59 59 HIS H H 59 5.160 5.160 8.183 -3.023 26059 11271 1 16 . 1 1 60 60 GLU N N 60 122.190 122.190 126.236 -4.046 26059 11272 1 16 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.002 -0.042 26059 11273 1 16 . 1 1 60 60 GLU C C 60 175.130 175.130 176.744 -1.614 26059 11274 1 16 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.219 -0.209 26059 11275 1 16 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.565 0.255 26059 11276 1 16 . 1 1 60 60 GLU H H 60 7.960 7.960 8.384 -0.424 26059 11277 1 16 . 1 1 61 61 SER N N 61 116.940 116.940 113.011 3.929 26059 11278 1 16 . 1 1 61 61 SER HA H 61 4.200 4.200 4.338 -0.138 26059 11279 1 16 . 1 1 61 61 SER CA C 61 60.010 60.010 58.473 1.537 26059 11280 1 16 . 1 1 61 61 SER CB C 61 63.140 63.140 63.488 -0.348 26059 11281 1 16 . 1 1 61 61 SER H H 61 8.540 8.540 7.712 0.828 26059 11282 1 16 . 1 1 62 62 PHE N N 62 123.700 123.700 123.327 0.373 26059 11283 1 16 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.757 -0.167 26059 11284 1 16 . 1 1 62 62 PHE CA C 62 57.400 57.400 56.289 1.111 26059 11285 1 16 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.270 -0.870 26059 11286 1 16 . 1 1 62 62 PHE H H 62 8.640 8.640 8.095 0.545 26059 11287 1 16 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.521 -0.111 26059 11288 1 16 . 1 1 63 63 PRO C C 63 176.400 176.400 176.435 -0.035 26059 11289 1 16 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.402 -0.802 26059 11290 1 16 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.004 -0.144 26059 11291 1 16 . 1 1 64 64 ARG N N 64 116.840 116.840 121.538 -4.698 26059 11292 1 16 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.070 0.030 26059 11293 1 16 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.044 -0.434 26059 11294 1 16 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.185 0.645 26059 11295 1 16 . 1 1 64 64 ARG H H 64 8.890 8.890 8.873 0.017 26059 11296 1 16 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.315 -0.325 26059 11297 1 16 . 1 1 65 65 PRO C C 65 175.800 175.800 177.033 -1.233 26059 11298 1 16 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.454 1.356 26059 11299 1 16 . 1 1 65 65 PRO CB C 65 31.880 31.880 31.990 -0.110 26059 11300 1 16 . 1 1 66 66 LYS N N 66 119.035 119.035 119.246 -0.211 26059 11301 1 16 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.506 0.104 26059 11302 1 16 . 1 1 66 66 LYS C C 66 175.400 175.400 175.825 -0.425 26059 11303 1 16 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.658 -0.205 26059 11304 1 16 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.382 -0.652 26059 11305 1 16 . 1 1 66 66 LYS H H 66 7.630 7.630 7.901 -0.271 26059 11306 1 16 . 1 1 67 67 ARG N N 67 127.394 127.394 128.934 -1.540 26059 11307 1 16 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.664 0.076 26059 11308 1 16 . 1 1 67 67 ARG C C 67 174.500 174.500 175.224 -0.724 26059 11309 1 16 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.527 0.273 26059 11310 1 16 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.101 0.613 26059 11311 1 16 . 1 1 67 67 ARG H H 67 8.855 8.855 8.676 0.179 26059 11312 1 16 . 1 1 68 68 VAL N N 68 124.388 124.388 121.129 3.259 26059 11313 1 16 . 1 1 68 68 VAL HA H 68 4.580 4.580 4.809 -0.229 26059 11314 1 16 . 1 1 68 68 VAL C C 68 176.850 176.850 176.015 0.835 26059 11315 1 16 . 1 1 68 68 VAL CA C 68 62.073 62.073 61.545 0.528 26059 11316 1 16 . 1 1 68 68 VAL CB C 68 33.604 33.604 32.240 1.364 26059 11317 1 16 . 1 1 68 68 VAL H H 68 8.681 8.681 7.988 0.693 26059 11318 1 16 . 1 1 69 69 CYS N N 69 127.080 127.080 127.647 -0.567 26059 11319 1 16 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.830 0.240 26059 11320 1 16 . 1 1 69 69 CYS CA C 69 58.346 58.346 58.286 0.060 26059 11321 1 16 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.932 0.238 26059 11322 1 16 . 1 1 69 69 CYS H H 69 9.455 9.455 9.219 0.236 26059 11323 1 16 . 1 1 70 70 LYS N N 70 125.480 125.480 124.408 1.072 26059 11324 1 16 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.606 -0.116 26059 11325 1 16 . 1 1 70 70 LYS C C 70 174.300 174.300 176.375 -2.075 26059 11326 1 16 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.382 -0.022 26059 11327 1 16 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.658 -0.488 26059 11328 1 16 . 1 1 70 70 LYS H H 70 9.050 9.050 8.632 0.418 26059 11329 1 16 . 1 1 71 71 ASP N N 71 116.940 116.940 121.198 -4.258 26059 11330 1 16 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.826 0.274 26059 11331 1 16 . 1 1 71 71 ASP CA C 71 51.080 51.080 51.958 -0.878 26059 11332 1 16 . 1 1 71 71 ASP CB C 71 43.380 43.380 41.700 1.680 26059 11333 1 16 . 1 1 71 71 ASP H H 71 7.620 7.620 8.007 -0.387 26059 11334 1 16 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.171 -0.911 26059 11335 1 16 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.751 -2.101 26059 11336 1 16 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.712 -0.672 26059 11337 1 16 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.916 0.184 26059 11338 1 16 . 1 1 73 73 PRO C C 73 174.700 174.700 176.227 -1.527 26059 11339 1 16 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.943 -2.253 26059 11340 1 16 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.384 2.656 26059 11341 1 16 . 1 1 74 74 TYR N N 74 125.400 125.400 123.935 1.465 26059 11342 1 16 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.388 0.462 26059 11343 1 16 . 1 1 74 74 TYR C C 74 172.900 172.900 176.098 -3.198 26059 11344 1 16 . 1 1 74 74 TYR CA C 74 55.670 55.670 59.365 -3.695 26059 11345 1 16 . 1 1 74 74 TYR CB C 74 35.400 35.400 37.524 -2.124 26059 11346 1 16 . 1 1 74 74 TYR H H 74 8.960 8.960 8.325 0.635 26059 11347 1 16 . 1 1 75 75 LYS N N 75 121.400 121.400 120.696 0.704 26059 11348 1 16 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.497 0.093 26059 11349 1 16 . 1 1 75 75 LYS C C 75 173.800 173.800 174.533 -0.733 26059 11350 1 16 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.425 0.225 26059 11351 1 16 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.376 -1.486 26059 11352 1 16 . 1 1 75 75 LYS H H 75 7.670 7.670 8.020 -0.350 26059 11353 1 16 . 1 1 76 76 VAL N N 76 119.800 119.800 121.386 -1.586 26059 11354 1 16 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.275 -0.385 26059 11355 1 16 . 1 1 76 76 VAL C C 76 173.900 173.900 174.247 -0.347 26059 11356 1 16 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.507 1.223 26059 11357 1 16 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.651 -0.111 26059 11358 1 16 . 1 1 76 76 VAL H H 76 8.180 8.180 8.553 -0.373 26059 11359 1 16 . 1 1 77 77 GLU N N 77 126.190 126.190 126.154 0.036 26059 11360 1 16 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.069 -0.119 26059 11361 1 16 . 1 1 77 77 GLU C C 77 174.700 174.700 175.334 -0.634 26059 11362 1 16 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.937 0.003 26059 11363 1 16 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.854 -0.304 26059 11364 1 16 . 1 1 77 77 GLU H H 77 8.270 8.270 8.677 -0.407 26059 11365 1 16 . 1 1 78 78 GLU N N 78 126.180 126.180 123.446 2.734 26059 11366 1 16 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.580 -0.130 26059 11367 1 16 . 1 1 78 78 GLU C C 78 175.400 175.400 173.627 1.773 26059 11368 1 16 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.124 -0.124 26059 11369 1 16 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.820 3.280 26059 11370 1 16 . 1 1 78 78 GLU H H 78 7.870 7.870 7.984 -0.114 26059 11371 1 16 . 1 1 79 79 SER N N 79 112.109 112.109 114.653 -2.544 26059 11372 1 16 . 1 1 79 79 SER HA H 79 5.560 5.560 5.520 0.040 26059 11373 1 16 . 1 1 79 79 SER C C 79 172.490 172.490 173.739 -1.249 26059 11374 1 16 . 1 1 79 79 SER CA C 79 57.754 57.754 56.142 1.612 26059 11375 1 16 . 1 1 79 79 SER CB C 79 65.861 65.861 65.629 0.232 26059 11376 1 16 . 1 1 79 79 SER H H 79 7.714 7.714 8.454 -0.740 26059 11377 1 16 . 1 1 80 80 GLY N N 80 106.048 106.048 110.311 -4.263 26059 11378 1 16 . 1 1 80 80 GLY C C 80 172.630 172.630 172.041 0.589 26059 11379 1 16 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.412 0.288 26059 11380 1 16 . 1 1 80 80 GLY H H 80 8.828 8.828 8.978 -0.150 26059 11381 1 16 . 1 1 81 81 TYR N N 81 115.280 115.280 115.968 -0.688 26059 11382 1 16 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.363 0.317 26059 11383 1 16 . 1 1 81 81 TYR C C 81 174.100 174.100 174.122 -0.022 26059 11384 1 16 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.467 -1.967 26059 11385 1 16 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.795 0.205 26059 11386 1 16 . 1 1 81 81 TYR H H 81 8.770 8.770 8.021 0.749 26059 11387 1 16 . 1 1 82 82 ALA N N 82 122.350 122.350 123.498 -1.148 26059 11388 1 16 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.526 -0.086 26059 11389 1 16 . 1 1 82 82 ALA CA C 82 51.040 51.040 50.936 0.104 26059 11390 1 16 . 1 1 82 82 ALA CB C 82 22.400 22.400 20.954 1.446 26059 11391 1 16 . 1 1 82 82 ALA H H 82 7.160 7.160 7.127 0.033 26059 11392 1 16 . 1 1 83 83 GLY N N 83 107.100 107.100 109.241 -2.141 26059 11393 1 16 . 1 1 83 83 GLY C C 83 172.500 172.500 173.507 -1.007 26059 11394 1 16 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.690 -0.080 26059 11395 1 16 . 1 1 83 83 GLY H H 83 8.220 8.220 8.307 -0.087 26059 11396 1 16 . 1 1 84 84 PHE N N 84 111.660 111.660 116.618 -4.958 26059 11397 1 16 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.569 0.121 26059 11398 1 16 . 1 1 84 84 PHE C C 84 172.460 172.460 173.179 -0.719 26059 11399 1 16 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.731 0.769 26059 11400 1 16 . 1 1 84 84 PHE CB C 84 38.580 38.580 40.035 -1.455 26059 11401 1 16 . 1 1 84 84 PHE H H 84 7.700 7.700 7.908 -0.208 26059 11402 1 16 . 1 1 85 85 ILE N N 85 117.810 117.810 121.392 -3.582 26059 11403 1 16 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.051 0.259 26059 11404 1 16 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.577 -1.237 26059 11405 1 16 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.520 -1.260 26059 11406 1 16 . 1 1 85 85 ILE H H 85 8.340 8.340 8.296 0.044 26059 11407 1 16 . 1 1 86 86 LEU N N 86 108.130 108.130 129.313 -21.183 26059 11408 1 16 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.979 0.001 26059 11409 1 16 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.966 2.234 26059 11410 1 16 . 1 1 86 86 LEU CB C 86 45.300 45.300 44.880 0.420 26059 11411 1 16 . 1 1 86 86 LEU H H 86 9.900 9.900 8.676 1.224 26059 11412 1 16 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.615 0.485 26059 11413 1 16 . 1 1 87 87 PRO C C 87 175.340 175.340 176.000 -0.660 26059 11414 1 16 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.185 -0.075 26059 11415 1 16 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.023 0.537 26059 11416 1 16 . 1 1 88 88 ILE N N 88 126.000 126.000 127.254 -1.254 26059 11417 1 16 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.424 0.366 26059 11418 1 16 . 1 1 88 88 ILE C C 88 176.100 176.100 174.990 1.110 26059 11419 1 16 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.646 -0.086 26059 11420 1 16 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.300 2.700 26059 11421 1 16 . 1 1 88 88 ILE H H 88 9.380 9.380 8.916 0.464 26059 11422 1 16 . 1 1 89 89 GLU N N 89 123.900 123.900 128.221 -4.321 26059 11423 1 16 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.070 0.130 26059 11424 1 16 . 1 1 89 89 GLU C C 89 173.800 173.800 175.286 -1.486 26059 11425 1 16 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.471 -0.501 26059 11426 1 16 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.930 2.450 26059 11427 1 16 . 1 1 89 89 GLU H H 89 9.320 9.320 8.665 0.655 26059 11428 1 16 . 1 1 90 90 VAL N N 90 123.980 123.980 124.828 -0.848 26059 11429 1 16 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.896 0.264 26059 11430 1 16 . 1 1 90 90 VAL C C 90 174.800 174.800 174.301 0.499 26059 11431 1 16 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.919 -0.529 26059 11432 1 16 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.736 -0.246 26059 11433 1 16 . 1 1 90 90 VAL H H 90 8.630 8.630 7.892 0.738 26059 11434 1 16 . 1 1 91 91 TYR N N 91 124.230 124.230 125.489 -1.259 26059 11435 1 16 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.514 0.146 26059 11436 1 16 . 1 1 91 91 TYR C C 91 176.800 176.800 175.638 1.162 26059 11437 1 16 . 1 1 91 91 TYR CA C 91 56.700 56.700 56.679 0.021 26059 11438 1 16 . 1 1 91 91 TYR CB C 91 40.240 40.240 40.297 -0.057 26059 11439 1 16 . 1 1 91 91 TYR H H 91 8.640 8.640 8.668 -0.028 26059 11440 1 16 . 1 1 92 92 PHE N N 92 121.200 121.200 118.901 2.299 26059 11441 1 16 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.380 0.280 26059 11442 1 16 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.540 0.970 26059 11443 1 16 . 1 1 92 92 PHE CB C 92 42.000 42.000 43.375 -1.375 26059 11444 1 16 . 1 1 92 92 PHE H H 92 8.750 8.750 8.637 0.113 26059 11445 1 16 . 1 1 93 93 LYS N N 93 123.450 123.450 123.080 0.370 26059 11446 1 16 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.655 -0.055 26059 11447 1 16 . 1 1 93 93 LYS C C 93 174.200 174.200 175.160 -0.960 26059 11448 1 16 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.730 -0.549 26059 11449 1 16 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.572 0.108 26059 11450 1 16 . 1 1 93 93 LYS H H 93 8.560 8.560 8.971 -0.411 26059 11451 1 16 . 1 1 94 94 ASN N N 94 118.800 118.800 123.020 -4.220 26059 11452 1 16 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.818 -0.378 26059 11453 1 16 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.511 -1.301 26059 11454 1 16 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.359 -1.559 26059 11455 1 16 . 1 1 94 94 ASN H H 94 7.820 7.820 8.054 -0.234 26059 11456 1 16 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.585 -0.255 26059 11457 1 16 . 1 1 95 95 LYS C C 95 175.800 175.800 175.516 0.284 26059 11458 1 16 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.253 -0.043 26059 11459 1 16 . 1 1 95 95 LYS CB C 95 33.010 33.010 31.760 1.250 26059 11460 1 16 . 1 1 96 96 GLU N N 96 118.330 118.330 120.475 -2.145 26059 11461 1 16 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.351 0.159 26059 11462 1 16 . 1 1 96 96 GLU C C 96 173.200 173.200 175.693 -2.493 26059 11463 1 16 . 1 1 96 96 GLU CA C 96 54.100 54.100 55.191 -1.091 26059 11464 1 16 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.622 0.848 26059 11465 1 16 . 1 1 96 96 GLU H H 96 7.120 7.120 7.595 -0.475 26059 11466 1 16 . 1 1 97 97 GLU N N 97 115.630 115.630 119.862 -4.232 26059 11467 1 16 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.163 0.267 26059 11468 1 16 . 1 1 97 97 GLU CA C 97 54.860 54.860 55.866 -1.006 26059 11469 1 16 . 1 1 97 97 GLU CB C 97 29.270 29.270 29.302 -0.032 26059 11470 1 16 . 1 1 97 97 GLU H H 97 8.060 8.060 8.402 -0.342 26059 11471 1 16 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.248 0.752 26059 11472 1 16 . 1 1 98 98 PRO C C 98 175.900 175.900 176.580 -0.680 26059 11473 1 16 . 1 1 98 98 PRO CA C 98 62.160 62.160 63.985 -1.825 26059 11474 1 16 . 1 1 98 98 PRO CB C 98 34.000 34.000 32.097 1.903 26059 11475 1 16 . 1 1 99 99 ARG N N 99 122.800 122.800 120.247 2.553 26059 11476 1 16 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.220 0.410 26059 11477 1 16 . 1 1 99 99 ARG C C 99 175.800 175.800 176.381 -0.581 26059 11478 1 16 . 1 1 99 99 ARG CA C 99 56.200 56.200 57.136 -0.936 26059 11479 1 16 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.836 -0.426 26059 11480 1 16 . 1 1 99 99 ARG H H 99 8.602 8.602 8.813 -0.211 26059 11481 1 16 . 1 1 100 100 LYS N N 100 113.220 113.220 115.103 -1.883 26059 11482 1 16 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.571 0.369 26059 11483 1 16 . 1 1 100 100 LYS C C 100 174.100 174.100 174.207 -0.107 26059 11484 1 16 . 1 1 100 100 LYS CA C 100 53.391 53.391 54.361 -0.970 26059 11485 1 16 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.578 -0.858 26059 11486 1 16 . 1 1 100 100 LYS H H 100 7.650 7.650 7.221 0.429 26059 11487 1 16 . 1 1 101 101 VAL N N 101 116.230 116.230 115.351 0.879 26059 11488 1 16 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.389 -0.119 26059 11489 1 16 . 1 1 101 101 VAL C C 101 171.600 171.600 173.165 -1.565 26059 11490 1 16 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.433 0.827 26059 11491 1 16 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.696 -0.516 26059 11492 1 16 . 1 1 101 101 VAL H H 101 8.120 8.120 8.120 0.000 26059 11493 1 16 . 1 1 102 102 ARG N N 102 124.980 124.980 124.137 0.843 26059 11494 1 16 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.764 0.396 26059 11495 1 16 . 1 1 102 102 ARG C C 102 174.340 174.340 174.831 -0.491 26059 11496 1 16 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.840 -1.090 26059 11497 1 16 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.928 1.422 26059 11498 1 16 . 1 1 102 102 ARG H H 102 7.930 7.930 8.063 -0.133 26059 11499 1 16 . 1 1 103 103 PHE N N 103 124.590 124.590 126.129 -1.539 26059 11500 1 16 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.742 0.050 26059 11501 1 16 . 1 1 103 103 PHE C C 103 174.280 174.280 174.470 -0.190 26059 11502 1 16 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.699 0.781 26059 11503 1 16 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.680 1.570 26059 11504 1 16 . 1 1 103 103 PHE H H 103 9.390 9.390 9.207 0.183 26059 11505 1 16 . 1 1 104 104 ASP N N 104 124.700 124.700 124.457 0.243 26059 11506 1 16 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.600 0.199 26059 11507 1 16 . 1 1 104 104 ASP C C 104 174.500 174.500 174.761 -0.261 26059 11508 1 16 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.812 0.578 26059 11509 1 16 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.414 -0.184 26059 11510 1 16 . 1 1 104 104 ASP H H 104 9.010 9.010 8.994 0.016 26059 11511 1 16 . 1 1 105 105 TYR N N 105 129.840 129.840 124.371 5.469 26059 11512 1 16 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.678 -0.608 26059 11513 1 16 . 1 1 105 105 TYR C C 105 173.100 173.100 172.938 0.162 26059 11514 1 16 . 1 1 105 105 TYR CA C 105 58.680 58.680 57.056 1.624 26059 11515 1 16 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.620 -0.770 26059 11516 1 16 . 1 1 105 105 TYR H H 105 8.140 8.140 8.003 0.137 26059 11517 1 16 . 1 1 106 106 ASP N N 106 126.800 126.800 126.890 -0.090 26059 11518 1 16 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.364 -0.144 26059 11519 1 16 . 1 1 106 106 ASP C C 106 172.900 172.900 174.714 -1.814 26059 11520 1 16 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.260 0.250 26059 11521 1 16 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.111 -1.611 26059 11522 1 16 . 1 1 106 106 ASP H H 106 7.730 7.730 8.212 -0.482 26059 11523 1 16 . 1 1 107 107 LEU N N 107 132.150 132.150 128.566 3.584 26059 11524 1 16 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.554 -0.714 26059 11525 1 16 . 1 1 107 107 LEU C C 107 172.100 172.100 174.931 -2.831 26059 11526 1 16 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.835 -0.635 26059 11527 1 16 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.410 -1.170 26059 11528 1 16 . 1 1 107 107 LEU H H 107 7.770 7.770 7.576 0.194 26059 11529 1 16 . 1 1 108 108 PHE N N 108 118.960 118.960 122.174 -3.214 26059 11530 1 16 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.798 -0.108 26059 11531 1 16 . 1 1 108 108 PHE C C 108 174.300 174.300 173.674 0.626 26059 11532 1 16 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.359 -0.669 26059 11533 1 16 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.597 -0.307 26059 11534 1 16 . 1 1 108 108 PHE H H 108 6.060 6.060 7.547 -1.487 26059 11535 1 16 . 1 1 109 109 LEU N N 109 118.900 118.900 121.902 -3.002 26059 11536 1 16 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.501 -0.101 26059 11537 1 16 . 1 1 109 109 LEU CA C 109 52.160 52.160 52.723 -0.563 26059 11538 1 16 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.182 -2.102 26059 11539 1 16 . 1 1 109 109 LEU H H 109 8.388 8.388 8.166 0.222 26059 11540 1 16 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.650 -0.210 26059 11541 1 16 . 1 1 111 111 LEU C C 111 177.300 177.300 177.704 -0.404 26059 11542 1 16 . 1 1 111 111 LEU CA C 111 54.220 54.220 54.469 -0.249 26059 11543 1 16 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.776 1.094 26059 11544 1 16 . 1 1 112 112 GLU N N 112 120.660 120.660 122.044 -1.384 26059 11545 1 16 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.044 0.126 26059 11546 1 16 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.141 0.319 26059 11547 1 16 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.151 0.039 26059 11548 1 16 . 1 1 112 112 GLU H H 112 8.780 8.780 8.838 -0.058 26059 11549 1 16 . 1 1 113 113 GLY C C 113 173.900 173.900 173.488 0.412 26059 11550 1 16 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.609 0.341 26059 11551 1 16 . 1 1 114 114 HIS N N 114 120.890 120.890 122.034 -1.144 26059 11552 1 16 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.849 0.057 26059 11553 1 16 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.512 1.258 26059 11554 1 16 . 1 1 114 114 HIS CB C 114 30.590 30.590 32.214 -1.624 26059 11555 1 16 . 1 1 114 114 HIS H H 114 7.934 7.934 8.166 -0.232 26059 11556 1 16 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.337 0.463 26059 11557 1 16 . 1 1 115 115 PRO CA C 115 62.090 62.090 62.153 -0.063 26059 11558 1 16 . 1 1 115 115 PRO CB C 115 30.680 30.680 31.104 -0.423 26059 11559 1 16 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.886 -0.676 26059 11560 1 16 . 1 1 116 116 PRO C C 116 176.600 176.600 176.807 -0.207 26059 11561 1 16 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.342 -0.042 26059 11562 1 16 . 1 1 117 117 VAL N N 117 127.480 127.480 120.829 6.651 26059 11563 1 16 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.400 -0.610 26059 11564 1 16 . 1 1 117 117 VAL CA C 117 62.700 62.700 60.953 1.747 26059 11565 1 16 . 1 1 117 117 VAL CB C 117 33.200 33.200 34.902 -1.702 26059 11566 1 16 . 1 1 117 117 VAL H H 117 8.890 8.890 8.423 0.467 26059 11567 1 16 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.122 -0.132 26059 11568 1 16 . 1 1 118 118 ASN C C 118 172.700 172.700 173.873 -1.173 26059 11569 1 16 . 1 1 118 118 ASN CA C 118 53.360 53.360 52.931 0.429 26059 11570 1 16 . 1 1 118 118 ASN CB C 118 39.200 39.200 39.882 -0.682 26059 11571 1 16 . 1 1 119 119 HIS N N 119 124.930 124.930 126.105 -1.175 26059 11572 1 16 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.128 -0.308 26059 11573 1 16 . 1 1 119 119 HIS C C 119 173.500 173.500 173.183 0.317 26059 11574 1 16 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.212 1.758 26059 11575 1 16 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.348 0.922 26059 11576 1 16 . 1 1 119 119 HIS H H 119 8.790 8.790 8.352 0.438 26059 11577 1 16 . 1 1 120 120 LEU N N 120 128.280 128.280 124.284 3.996 26059 11578 1 16 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.632 0.318 26059 11579 1 16 . 1 1 120 120 LEU C C 120 174.030 174.030 175.565 -1.535 26059 11580 1 16 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.497 0.503 26059 11581 1 16 . 1 1 120 120 LEU CB C 120 46.600 46.600 45.014 1.586 26059 11582 1 16 . 1 1 120 120 LEU H H 120 7.460 7.460 8.312 -0.852 26059 11583 1 16 . 1 1 121 121 ARG N N 121 128.060 128.060 122.507 5.553 26059 11584 1 16 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.638 0.001 26059 11585 1 16 . 1 1 121 121 ARG C C 121 173.400 173.400 173.843 -0.443 26059 11586 1 16 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.964 -0.604 26059 11587 1 16 . 1 1 121 121 ARG CB C 121 34.260 34.260 34.409 -0.149 26059 11588 1 16 . 1 1 121 121 ARG H H 121 9.860 9.860 8.595 1.265 26059 11589 1 16 . 1 1 122 122 CYS N N 122 125.290 125.290 124.618 0.672 26059 11590 1 16 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.229 -0.209 26059 11591 1 16 . 1 1 122 122 CYS C C 122 174.600 174.600 173.633 0.967 26059 11592 1 16 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.158 1.132 26059 11593 1 16 . 1 1 122 122 CYS CB C 122 28.030 28.030 30.206 -2.176 26059 11594 1 16 . 1 1 122 122 CYS H H 122 8.835 8.835 8.654 0.181 26059 11595 1 16 . 1 1 123 123 GLU N N 123 125.920 125.920 127.557 -1.637 26059 11596 1 16 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.525 0.155 26059 11597 1 16 . 1 1 123 123 GLU C C 123 174.500 174.500 174.839 -0.339 26059 11598 1 16 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.679 -0.259 26059 11599 1 16 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.669 -0.086 26059 11600 1 16 . 1 1 123 123 GLU H H 123 8.970 8.970 8.976 -0.006 26059 11601 1 16 . 1 1 124 124 LYS N N 124 121.837 121.837 126.200 -4.363 26059 11602 1 16 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.823 0.137 26059 11603 1 16 . 1 1 124 124 LYS C C 124 175.700 175.700 176.107 -0.407 26059 11604 1 16 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.639 -0.283 26059 11605 1 16 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.356 0.833 26059 11606 1 16 . 1 1 124 124 LYS H H 124 8.652 8.652 8.534 0.118 26059 11607 1 16 . 1 1 125 125 LEU N N 125 127.000 127.000 129.159 -2.159 26059 11608 1 16 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.485 0.165 26059 11609 1 16 . 1 1 125 125 LEU C C 125 175.110 175.110 175.473 -0.363 26059 11610 1 16 . 1 1 125 125 LEU CA C 125 53.854 53.854 54.298 -0.444 26059 11611 1 16 . 1 1 125 125 LEU CB C 125 44.267 44.267 43.117 1.150 26059 11612 1 16 . 1 1 125 125 LEU H H 125 9.175 9.175 9.113 0.062 26059 11613 1 16 . 1 1 126 126 THR N N 126 117.779 117.779 118.900 -1.121 26059 11614 1 16 . 1 1 126 126 THR HA H 126 4.650 4.650 4.615 0.035 26059 11615 1 16 . 1 1 126 126 THR C C 126 173.200 173.200 173.513 -0.313 26059 11616 1 16 . 1 1 126 126 THR CA C 126 62.036 62.036 61.612 0.424 26059 11617 1 16 . 1 1 126 126 THR CB C 126 70.284 70.284 70.088 0.196 26059 11618 1 16 . 1 1 126 126 THR H H 126 8.331 8.331 8.269 0.062 26059 11619 1 16 . 1 1 127 127 PHE N N 127 126.576 126.576 127.469 -0.893 26059 11620 1 16 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.716 -0.126 26059 11621 1 16 . 1 1 127 127 PHE C C 127 174.860 174.860 174.193 0.667 26059 11622 1 16 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.881 0.983 26059 11623 1 16 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.461 -1.461 26059 11624 1 16 . 1 1 127 127 PHE H H 127 9.051 9.051 9.107 -0.056 26059 11625 1 16 . 1 1 128 128 ASN N N 128 123.040 123.040 122.872 0.168 26059 11626 1 16 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.715 -0.095 26059 11627 1 16 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.479 1.001 26059 11628 1 16 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.898 0.562 26059 11629 1 16 . 1 1 128 128 ASN H H 128 8.880 8.880 8.818 0.062 26059 11630 1 16 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.573 0.187 26059 11631 1 16 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.569 -0.669 26059 11632 1 16 . 1 1 129 129 ASN CB C 129 38.730 38.730 36.740 1.990 26059 11633 1 16 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.561 0.229 26059 11634 1 16 . 1 1 130 130 PRO C C 130 177.470 177.470 176.851 0.619 26059 11635 1 16 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.753 -0.179 26059 11636 1 16 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.506 -0.196 26059 11637 1 16 . 1 1 131 131 THR N N 131 113.400 113.400 111.233 2.167 26059 11638 1 16 . 1 1 131 131 THR HA H 131 4.300 4.300 4.297 0.003 26059 11639 1 16 . 1 1 131 131 THR C C 131 175.200 175.200 175.901 -0.701 26059 11640 1 16 . 1 1 131 131 THR CA C 131 62.200 62.200 61.400 0.800 26059 11641 1 16 . 1 1 131 131 THR CB C 131 70.600 70.600 69.712 0.888 26059 11642 1 16 . 1 1 131 131 THR H H 131 8.950 8.950 8.092 0.858 26059 11643 1 16 . 1 1 132 132 GLU N N 132 122.199 122.199 124.743 -2.544 26059 11644 1 16 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.876 0.134 26059 11645 1 16 . 1 1 132 132 GLU C C 132 178.700 178.700 178.029 0.671 26059 11646 1 16 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.571 -0.277 26059 11647 1 16 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.571 -0.410 26059 11648 1 16 . 1 1 132 132 GLU H H 132 8.932 8.932 9.067 -0.135 26059 11649 1 16 . 1 1 133 133 ASP N N 133 116.324 116.324 117.554 -1.230 26059 11650 1 16 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.389 -0.059 26059 11651 1 16 . 1 1 133 133 ASP C C 133 177.800 177.800 178.348 -0.548 26059 11652 1 16 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.786 0.574 26059 11653 1 16 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.899 1.924 26059 11654 1 16 . 1 1 133 133 ASP H H 133 8.490 8.490 8.865 -0.375 26059 11655 1 16 . 1 1 134 134 PHE N N 134 119.914 119.914 122.263 -2.349 26059 11656 1 16 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.245 0.365 26059 11657 1 16 . 1 1 134 134 PHE C C 134 177.300 177.300 177.084 0.216 26059 11658 1 16 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.260 -0.722 26059 11659 1 16 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.454 -0.254 26059 11660 1 16 . 1 1 134 134 PHE H H 134 7.787 7.787 7.753 0.034 26059 11661 1 16 . 1 1 135 135 ARG N N 135 119.794 119.794 120.616 -0.822 26059 11662 1 16 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.776 -0.426 26059 11663 1 16 . 1 1 135 135 ARG C C 135 177.370 177.370 178.094 -0.724 26059 11664 1 16 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.049 0.327 26059 11665 1 16 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.028 0.368 26059 11666 1 16 . 1 1 135 135 ARG H H 135 9.087 9.087 8.462 0.625 26059 11667 1 16 . 1 1 136 136 ARG N N 136 114.554 114.554 118.794 -4.240 26059 11668 1 16 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.962 -0.142 26059 11669 1 16 . 1 1 136 136 ARG C C 136 178.950 178.950 178.609 0.341 26059 11670 1 16 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.600 -0.300 26059 11671 1 16 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.027 0.190 26059 11672 1 16 . 1 1 136 136 ARG H H 136 7.747 7.747 8.548 -0.801 26059 11673 1 16 . 1 1 137 137 LYS N N 137 118.298 118.298 118.728 -0.430 26059 11674 1 16 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.016 -0.116 26059 11675 1 16 . 1 1 137 137 LYS C C 137 177.980 177.980 178.895 -0.915 26059 11676 1 16 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.385 1.010 26059 11677 1 16 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.276 0.171 26059 11678 1 16 . 1 1 137 137 LYS H H 137 7.154 7.154 7.399 -0.245 26059 11679 1 16 . 1 1 138 138 LEU N N 138 117.159 117.159 119.213 -2.054 26059 11680 1 16 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.789 -0.369 26059 11681 1 16 . 1 1 138 138 LEU C C 138 179.100 179.100 178.576 0.524 26059 11682 1 16 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.251 -0.020 26059 11683 1 16 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.590 0.738 26059 11684 1 16 . 1 1 138 138 LEU H H 138 7.709 7.709 7.790 -0.081 26059 11685 1 16 . 1 1 139 139 LEU N N 139 115.158 115.158 116.412 -1.254 26059 11686 1 16 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.140 0.010 26059 11687 1 16 . 1 1 139 139 LEU C C 139 177.600 177.600 178.548 -0.948 26059 11688 1 16 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.561 -1.032 26059 11689 1 16 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.983 -0.239 26059 11690 1 16 . 1 1 139 139 LEU H H 139 7.507 7.507 8.141 -0.634 26059 11691 1 16 . 1 1 140 140 LYS N N 140 120.256 120.256 119.168 1.088 26059 11692 1 16 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.070 0.040 26059 11693 1 16 . 1 1 140 140 LYS C C 140 175.800 175.800 177.028 -1.228 26059 11694 1 16 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.153 -0.101 26059 11695 1 16 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.818 -0.172 26059 11696 1 16 . 1 1 140 140 LYS H H 140 7.304 7.304 7.517 -0.213 26059 11697 1 17 . 1 1 4 4 MET C C 4 175.800 175.800 175.820 -0.020 26059 11698 1 17 . 1 1 4 4 MET CA C 4 55.350 55.350 56.471 -1.121 26059 11699 1 17 . 1 1 4 4 MET CB C 4 32.880 32.880 33.359 -0.479 26059 11700 1 17 . 1 1 5 5 ALA N N 5 125.230 125.230 121.602 3.628 26059 11701 1 17 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.584 -0.234 26059 11702 1 17 . 1 1 5 5 ALA CA C 5 52.430 52.430 50.960 1.470 26059 11703 1 17 . 1 1 5 5 ALA CB C 5 19.370 19.370 20.615 -1.245 26059 11704 1 17 . 1 1 5 5 ALA H H 5 8.320 8.320 7.838 0.482 26059 11705 1 17 . 1 1 6 6 SER HA H 6 4.490 4.490 4.459 0.031 26059 11706 1 17 . 1 1 6 6 SER CA C 6 58.200 58.200 58.145 0.055 26059 11707 1 17 . 1 1 6 6 SER CB C 6 63.700 63.700 63.016 0.684 26059 11708 1 17 . 1 1 7 7 SER HA H 7 4.530 4.530 4.538 -0.008 26059 11709 1 17 . 1 1 7 7 SER CA C 7 58.200 58.200 59.134 -0.934 26059 11710 1 17 . 1 1 7 7 SER CB C 7 63.700 63.700 63.332 0.368 26059 11711 1 17 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.657 -0.047 26059 11712 1 17 . 1 1 8 8 CYS C C 8 173.500 173.500 172.835 0.665 26059 11713 1 17 . 1 1 8 8 CYS CA C 8 58.340 58.340 57.917 0.423 26059 11714 1 17 . 1 1 8 8 CYS CB C 8 28.490 28.490 30.228 -1.738 26059 11715 1 17 . 1 1 9 9 ALA N N 9 124.700 124.700 130.837 -6.137 26059 11716 1 17 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.197 -0.407 26059 11717 1 17 . 1 1 9 9 ALA C C 9 177.400 177.400 176.137 1.263 26059 11718 1 17 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.390 1.680 26059 11719 1 17 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.796 -0.167 26059 11720 1 17 . 1 1 9 9 ALA H H 9 7.960 7.960 8.303 -0.343 26059 11721 1 17 . 1 1 10 10 VAL N N 10 120.124 120.124 123.117 -2.993 26059 11722 1 17 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.304 -0.014 26059 11723 1 17 . 1 1 10 10 VAL C C 10 173.900 173.900 174.902 -1.002 26059 11724 1 17 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.286 0.264 26059 11725 1 17 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.324 1.576 26059 11726 1 17 . 1 1 10 10 VAL H H 10 8.424 8.424 8.400 0.024 26059 11727 1 17 . 1 1 11 11 GLN N N 11 125.818 125.818 124.694 1.124 26059 11728 1 17 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.360 0.200 26059 11729 1 17 . 1 1 11 11 GLN C C 11 175.400 175.400 175.418 -0.018 26059 11730 1 17 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.147 -0.023 26059 11731 1 17 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.510 1.519 26059 11732 1 17 . 1 1 11 11 GLN H H 11 8.636 8.636 8.407 0.229 26059 11733 1 17 . 1 1 12 12 VAL N N 12 119.106 119.106 118.780 0.326 26059 11734 1 17 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.332 0.298 26059 11735 1 17 . 1 1 12 12 VAL C C 12 173.800 173.800 174.669 -0.869 26059 11736 1 17 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.759 0.041 26059 11737 1 17 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.578 2.133 26059 11738 1 17 . 1 1 12 12 VAL H H 12 8.827 8.827 8.537 0.290 26059 11739 1 17 . 1 1 13 13 LYS N N 13 121.700 121.700 121.852 -0.152 26059 11740 1 17 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.254 -0.054 26059 11741 1 17 . 1 1 13 13 LYS C C 13 175.030 175.030 175.437 -0.407 26059 11742 1 17 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.387 0.043 26059 11743 1 17 . 1 1 13 13 LYS CB C 13 35.920 35.920 34.973 0.947 26059 11744 1 17 . 1 1 13 13 LYS H H 13 8.234 8.234 8.411 -0.177 26059 11745 1 17 . 1 1 14 14 LEU N N 14 119.100 119.100 124.029 -4.929 26059 11746 1 17 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.258 -0.308 26059 11747 1 17 . 1 1 14 14 LEU C C 14 175.110 175.110 175.320 -0.210 26059 11748 1 17 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.279 0.078 26059 11749 1 17 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.865 1.056 26059 11750 1 17 . 1 1 14 14 LEU H H 14 8.840 8.840 9.224 -0.384 26059 11751 1 17 . 1 1 15 15 GLU N N 15 120.978 120.978 123.037 -2.059 26059 11752 1 17 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.331 -0.341 26059 11753 1 17 . 1 1 15 15 GLU C C 15 173.800 173.800 175.216 -1.416 26059 11754 1 17 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.215 1.213 26059 11755 1 17 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.847 -1.021 26059 11756 1 17 . 1 1 15 15 GLU H H 15 9.181 9.181 9.150 0.031 26059 11757 1 17 . 1 1 16 16 LEU N N 16 124.438 124.438 127.489 -3.051 26059 11758 1 17 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.206 -0.096 26059 11759 1 17 . 1 1 16 16 LEU C C 16 174.700 174.700 175.813 -1.113 26059 11760 1 17 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.772 0.304 26059 11761 1 17 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.302 3.590 26059 11762 1 17 . 1 1 16 16 LEU H H 16 8.891 8.891 8.767 0.124 26059 11763 1 17 . 1 1 17 17 GLY N N 17 108.067 108.067 110.155 -2.088 26059 11764 1 17 . 1 1 17 17 GLY C C 17 170.350 170.350 171.608 -1.258 26059 11765 1 17 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.531 2.454 26059 11766 1 17 . 1 1 17 17 GLY H H 17 7.227 7.227 9.142 -1.915 26059 11767 1 17 . 1 1 18 18 HIS N N 18 111.200 111.200 116.684 -5.484 26059 11768 1 17 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.053 0.567 26059 11769 1 17 . 1 1 18 18 HIS C C 18 172.400 172.400 172.524 -0.124 26059 11770 1 17 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.892 0.048 26059 11771 1 17 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.452 1.708 26059 11772 1 17 . 1 1 18 18 HIS H H 18 8.150 8.150 8.278 -0.128 26059 11773 1 17 . 1 1 19 19 ARG N N 19 117.800 117.800 120.663 -2.863 26059 11774 1 17 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.491 -0.391 26059 11775 1 17 . 1 1 19 19 ARG C C 19 175.800 175.800 174.540 1.260 26059 11776 1 17 . 1 1 19 19 ARG CA C 19 53.500 53.500 53.828 -0.328 26059 11777 1 17 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.536 0.114 26059 11778 1 17 . 1 1 19 19 ARG H H 19 9.010 9.010 8.569 0.441 26059 11779 1 17 . 1 1 20 20 ALA N N 20 120.390 120.390 125.286 -4.896 26059 11780 1 17 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.240 0.300 26059 11781 1 17 . 1 1 20 20 ALA C C 20 175.800 175.800 175.246 0.554 26059 11782 1 17 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.899 0.691 26059 11783 1 17 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.591 1.159 26059 11784 1 17 . 1 1 20 20 ALA H H 20 8.070 8.070 8.425 -0.355 26059 11785 1 17 . 1 1 21 21 GLN N N 21 121.790 121.790 124.029 -2.239 26059 11786 1 17 . 1 1 21 21 GLN HA H 21 5.230 5.230 4.908 0.322 26059 11787 1 17 . 1 1 21 21 GLN CA C 21 54.330 54.330 54.194 0.136 26059 11788 1 17 . 1 1 21 21 GLN CB C 21 32.900 32.900 33.027 -0.127 26059 11789 1 17 . 1 1 21 21 GLN H H 21 9.240 9.240 8.846 0.394 26059 11790 1 17 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.380 -0.750 26059 11791 1 17 . 1 1 22 22 VAL C C 22 176.500 176.500 175.025 1.475 26059 11792 1 17 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.505 2.525 26059 11793 1 17 . 1 1 22 22 VAL CB C 22 31.600 31.600 33.925 -2.325 26059 11794 1 17 . 1 1 23 23 ARG N N 23 127.840 127.840 126.513 1.327 26059 11795 1 17 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.651 -0.521 26059 11796 1 17 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.976 1.224 26059 11797 1 17 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.187 0.963 26059 11798 1 17 . 1 1 23 23 ARG H H 23 8.720 8.720 8.519 0.201 26059 11799 1 17 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.191 -0.151 26059 11800 1 17 . 1 1 24 24 LYS C C 24 176.960 176.960 176.645 0.315 26059 11801 1 17 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.944 0.856 26059 11802 1 17 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.500 -0.440 26059 11803 1 17 . 1 1 25 25 LYS N N 25 115.870 115.870 120.299 -4.429 26059 11804 1 17 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.732 0.098 26059 11805 1 17 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.545 -0.585 26059 11806 1 17 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.556 1.524 26059 11807 1 17 . 1 1 25 25 LYS H H 25 7.720 7.720 7.732 -0.012 26059 11808 1 17 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.523 0.307 26059 11809 1 17 . 1 1 26 26 PRO C C 26 177.400 177.400 176.867 0.533 26059 11810 1 17 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.233 -0.583 26059 11811 1 17 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.203 0.187 26059 11812 1 17 . 1 1 27 27 THR N N 27 111.270 111.270 114.916 -3.646 26059 11813 1 17 . 1 1 27 27 THR HA H 27 4.530 4.530 4.232 0.298 26059 11814 1 17 . 1 1 27 27 THR C C 27 177.300 177.300 177.042 0.258 26059 11815 1 17 . 1 1 27 27 THR CA C 27 61.300 61.300 61.679 -0.379 26059 11816 1 17 . 1 1 27 27 THR CB C 27 71.460 71.460 69.855 1.605 26059 11817 1 17 . 1 1 27 27 THR H H 27 8.380 8.380 8.300 0.080 26059 11818 1 17 . 1 1 28 28 VAL N N 28 121.170 121.170 119.194 1.976 26059 11819 1 17 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.907 -0.024 26059 11820 1 17 . 1 1 28 28 VAL C C 28 177.030 177.030 175.985 1.045 26059 11821 1 17 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.580 0.620 26059 11822 1 17 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.430 -0.030 26059 11823 1 17 . 1 1 28 28 VAL H H 28 8.910 8.910 8.340 0.570 26059 11824 1 17 . 1 1 29 29 GLU N N 29 116.800 116.800 118.603 -1.803 26059 11825 1 17 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.224 -0.304 26059 11826 1 17 . 1 1 29 29 GLU C C 29 176.200 176.200 176.170 0.030 26059 11827 1 17 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.178 2.072 26059 11828 1 17 . 1 1 29 29 GLU CB C 29 28.170 28.170 29.428 -1.258 26059 11829 1 17 . 1 1 29 29 GLU H H 29 7.990 7.990 7.871 0.119 26059 11830 1 17 . 1 1 30 30 GLY N N 30 105.500 105.500 108.216 -2.716 26059 11831 1 17 . 1 1 30 30 GLY C C 30 174.900 174.900 174.145 0.755 26059 11832 1 17 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.504 -1.044 26059 11833 1 17 . 1 1 30 30 GLY H H 30 7.950 7.950 7.831 0.119 26059 11834 1 17 . 1 1 31 31 PHE N N 31 119.300 119.300 118.884 0.416 26059 11835 1 17 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.873 -0.113 26059 11836 1 17 . 1 1 31 31 PHE C C 31 176.400 176.400 176.229 0.171 26059 11837 1 17 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.560 1.340 26059 11838 1 17 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.480 -3.980 26059 11839 1 17 . 1 1 31 31 PHE H H 31 7.520 7.520 7.520 0.000 26059 11840 1 17 . 1 1 32 32 THR N N 32 112.300 112.300 116.945 -4.645 26059 11841 1 17 . 1 1 32 32 THR HA H 32 4.330 4.330 4.336 -0.006 26059 11842 1 17 . 1 1 32 32 THR C C 32 175.200 175.200 174.410 0.790 26059 11843 1 17 . 1 1 32 32 THR CA C 32 62.780 62.780 63.530 -0.750 26059 11844 1 17 . 1 1 32 32 THR CB C 32 70.350 70.350 69.530 0.820 26059 11845 1 17 . 1 1 32 32 THR H H 32 7.770 7.770 8.836 -1.066 26059 11846 1 17 . 1 1 33 33 HIS N N 33 121.900 121.900 120.317 1.583 26059 11847 1 17 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.406 0.094 26059 11848 1 17 . 1 1 33 33 HIS C C 33 173.880 173.880 173.606 0.274 26059 11849 1 17 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.732 1.048 26059 11850 1 17 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.203 2.437 26059 11851 1 17 . 1 1 33 33 HIS H H 33 9.110 9.110 8.726 0.384 26059 11852 1 17 . 1 1 34 34 ASP N N 34 120.300 120.300 122.512 -2.212 26059 11853 1 17 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.418 -0.018 26059 11854 1 17 . 1 1 34 34 ASP C C 34 175.100 175.100 175.277 -0.177 26059 11855 1 17 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.853 -0.543 26059 11856 1 17 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.168 -0.168 26059 11857 1 17 . 1 1 34 34 ASP H H 34 8.810 8.810 9.148 -0.338 26059 11858 1 17 . 1 1 35 35 TRP N N 35 119.800 119.800 121.983 -2.183 26059 11859 1 17 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.754 -0.024 26059 11860 1 17 . 1 1 35 35 TRP C C 35 174.900 174.900 173.651 1.249 26059 11861 1 17 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.260 0.640 26059 11862 1 17 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.943 1.727 26059 11863 1 17 . 1 1 35 35 TRP H H 35 9.250 9.250 8.958 0.292 26059 11864 1 17 . 1 1 36 36 MET N N 36 120.980 120.980 123.761 -2.781 26059 11865 1 17 . 1 1 36 36 MET HA H 36 5.750 5.750 5.864 -0.114 26059 11866 1 17 . 1 1 36 36 MET C C 36 173.700 173.700 174.671 -0.971 26059 11867 1 17 . 1 1 36 36 MET CA C 36 54.830 54.830 53.872 0.958 26059 11868 1 17 . 1 1 36 36 MET CB C 36 35.220 35.220 35.912 -0.692 26059 11869 1 17 . 1 1 36 36 MET H H 36 9.080 9.080 9.286 -0.206 26059 11870 1 17 . 1 1 37 37 VAL N N 37 126.220 126.220 122.594 3.626 26059 11871 1 17 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.135 0.175 26059 11872 1 17 . 1 1 37 37 VAL C C 37 172.300 172.300 174.462 -2.162 26059 11873 1 17 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.760 -1.220 26059 11874 1 17 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.061 2.009 26059 11875 1 17 . 1 1 37 37 VAL H H 37 9.080 9.080 8.900 0.180 26059 11876 1 17 . 1 1 38 38 PHE N N 38 120.640 120.640 119.182 1.458 26059 11877 1 17 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.097 -0.127 26059 11878 1 17 . 1 1 38 38 PHE C C 38 172.960 172.960 173.512 -0.552 26059 11879 1 17 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.342 0.789 26059 11880 1 17 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.600 0.400 26059 11881 1 17 . 1 1 38 38 PHE H H 38 8.320 8.320 8.974 -0.654 26059 11882 1 17 . 1 1 39 39 VAL N N 39 116.500 116.500 117.064 -0.564 26059 11883 1 17 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.757 -0.747 26059 11884 1 17 . 1 1 39 39 VAL C C 39 174.700 174.700 174.877 -0.177 26059 11885 1 17 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.045 1.595 26059 11886 1 17 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.421 -0.021 26059 11887 1 17 . 1 1 39 39 VAL H H 39 8.580 8.580 8.995 -0.415 26059 11888 1 17 . 1 1 40 40 ARG N N 40 124.100 124.100 123.472 0.628 26059 11889 1 17 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.160 -0.080 26059 11890 1 17 . 1 1 40 40 ARG C C 40 173.800 173.800 175.438 -1.638 26059 11891 1 17 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.780 0.520 26059 11892 1 17 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.837 -1.257 26059 11893 1 17 . 1 1 40 40 ARG H H 40 9.880 9.880 9.097 0.783 26059 11894 1 17 . 1 1 41 41 GLY N N 41 107.640 107.640 107.995 -0.355 26059 11895 1 17 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.828 1.142 26059 11896 1 17 . 1 1 41 41 GLY H H 41 8.910 8.910 8.163 0.747 26059 11897 1 17 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.432 0.058 26059 11898 1 17 . 1 1 42 42 PRO C C 42 177.300 177.300 175.979 1.321 26059 11899 1 17 . 1 1 42 42 PRO CA C 42 62.440 62.440 62.992 -0.552 26059 11900 1 17 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.506 0.604 26059 11901 1 17 . 1 1 43 43 GLU N N 43 121.050 121.050 123.527 -2.477 26059 11902 1 17 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.921 -0.131 26059 11903 1 17 . 1 1 43 43 GLU C C 43 176.110 176.110 175.944 0.166 26059 11904 1 17 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.452 0.398 26059 11905 1 17 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.165 0.686 26059 11906 1 17 . 1 1 43 43 GLU H H 43 9.060 9.060 9.040 0.020 26059 11907 1 17 . 1 1 44 44 HIS N N 44 114.100 114.100 111.525 2.575 26059 11908 1 17 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.128 0.223 26059 11909 1 17 . 1 1 44 44 HIS C C 44 175.170 175.170 174.560 0.610 26059 11910 1 17 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.813 -0.163 26059 11911 1 17 . 1 1 44 44 HIS CB C 44 28.370 28.370 28.786 -0.416 26059 11912 1 17 . 1 1 44 44 HIS H H 44 8.420 8.420 8.598 -0.178 26059 11913 1 17 . 1 1 45 45 SER N N 45 115.540 115.540 116.685 -1.145 26059 11914 1 17 . 1 1 45 45 SER HA H 45 4.560 4.560 4.421 0.139 26059 11915 1 17 . 1 1 45 45 SER C C 45 173.700 173.700 174.259 -0.559 26059 11916 1 17 . 1 1 45 45 SER CA C 45 58.710 58.710 59.541 -0.831 26059 11917 1 17 . 1 1 45 45 SER CB C 45 64.500 64.500 63.929 0.571 26059 11918 1 17 . 1 1 45 45 SER H H 45 7.870 7.870 7.502 0.368 26059 11919 1 17 . 1 1 46 46 ASN N N 46 123.900 123.900 124.065 -0.165 26059 11920 1 17 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.701 0.419 26059 11921 1 17 . 1 1 46 46 ASN C C 46 176.300 176.300 175.722 0.578 26059 11922 1 17 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.762 -1.072 26059 11923 1 17 . 1 1 46 46 ASN CB C 46 38.730 38.730 38.886 -0.156 26059 11924 1 17 . 1 1 46 46 ASN H H 46 9.480 9.480 8.843 0.637 26059 11925 1 17 . 1 1 47 47 ILE N N 47 115.240 115.240 119.013 -3.773 26059 11926 1 17 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.031 -0.091 26059 11927 1 17 . 1 1 47 47 ILE C C 47 176.000 176.000 176.788 -0.788 26059 11928 1 17 . 1 1 47 47 ILE CA C 47 63.200 63.200 62.186 1.014 26059 11929 1 17 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.536 -0.836 26059 11930 1 17 . 1 1 47 47 ILE H H 47 8.170 8.170 8.423 -0.253 26059 11931 1 17 . 1 1 48 48 GLN N N 48 123.200 123.200 120.548 2.652 26059 11932 1 17 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.230 0.050 26059 11933 1 17 . 1 1 48 48 GLN C C 48 175.670 175.670 177.167 -1.497 26059 11934 1 17 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.424 -0.524 26059 11935 1 17 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.562 -0.572 26059 11936 1 17 . 1 1 48 48 GLN H H 48 8.850 8.850 8.568 0.282 26059 11937 1 17 . 1 1 49 49 HIS N N 49 115.400 115.400 117.509 -2.109 26059 11938 1 17 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.415 0.155 26059 11939 1 17 . 1 1 49 49 HIS C C 49 176.380 176.380 176.822 -0.442 26059 11940 1 17 . 1 1 49 49 HIS CA C 49 58.750 58.750 58.878 -0.128 26059 11941 1 17 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.395 1.225 26059 11942 1 17 . 1 1 49 49 HIS H H 49 7.400 7.400 7.885 -0.485 26059 11943 1 17 . 1 1 50 50 PHE N N 50 109.800 109.800 112.627 -2.827 26059 11944 1 17 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.875 0.355 26059 11945 1 17 . 1 1 50 50 PHE C C 50 173.800 173.800 174.632 -0.832 26059 11946 1 17 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.205 -0.545 26059 11947 1 17 . 1 1 50 50 PHE CB C 50 41.000 41.000 40.224 0.776 26059 11948 1 17 . 1 1 50 50 PHE H H 50 7.570 7.570 7.591 -0.021 26059 11949 1 17 . 1 1 51 51 VAL N N 51 127.810 127.810 121.296 6.514 26059 11950 1 17 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.724 -0.354 26059 11951 1 17 . 1 1 51 51 VAL C C 51 174.500 174.500 175.382 -0.882 26059 11952 1 17 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.853 0.147 26059 11953 1 17 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.714 0.566 26059 11954 1 17 . 1 1 51 51 VAL H H 51 7.810 7.810 8.127 -0.317 26059 11955 1 17 . 1 1 52 52 GLU N N 52 130.700 130.700 128.983 1.717 26059 11956 1 17 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.546 -0.566 26059 11957 1 17 . 1 1 52 52 GLU C C 52 175.400 175.400 175.609 -0.209 26059 11958 1 17 . 1 1 52 52 GLU CA C 52 58.000 58.000 56.997 1.003 26059 11959 1 17 . 1 1 52 52 GLU CB C 52 31.580 31.580 32.105 -0.525 26059 11960 1 17 . 1 1 52 52 GLU H H 52 9.380 9.380 9.318 0.062 26059 11961 1 17 . 1 1 53 53 LYS N N 53 109.200 109.200 116.601 -7.401 26059 11962 1 17 . 1 1 53 53 LYS HA H 53 4.800 4.800 5.193 -0.393 26059 11963 1 17 . 1 1 53 53 LYS C C 53 172.300 172.300 175.338 -3.038 26059 11964 1 17 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.708 0.132 26059 11965 1 17 . 1 1 53 53 LYS CB C 53 34.250 34.250 36.744 -2.494 26059 11966 1 17 . 1 1 53 53 LYS H H 53 7.190 7.190 7.418 -0.228 26059 11967 1 17 . 1 1 54 54 VAL N N 54 120.380 120.380 118.414 1.966 26059 11968 1 17 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.903 -0.133 26059 11969 1 17 . 1 1 54 54 VAL C C 54 173.600 173.600 173.986 -0.386 26059 11970 1 17 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.210 0.830 26059 11971 1 17 . 1 1 54 54 VAL CB C 54 34.700 34.700 36.047 -1.347 26059 11972 1 17 . 1 1 54 54 VAL H H 54 8.450 8.450 8.550 -0.100 26059 11973 1 17 . 1 1 55 55 VAL N N 55 126.920 126.920 121.933 4.987 26059 11974 1 17 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.272 -0.572 26059 11975 1 17 . 1 1 55 55 VAL C C 55 173.800 173.800 173.476 0.324 26059 11976 1 17 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.452 1.418 26059 11977 1 17 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.876 -1.776 26059 11978 1 17 . 1 1 55 55 VAL H H 55 9.260 9.260 8.634 0.626 26059 11979 1 17 . 1 1 56 56 PHE N N 56 126.130 126.130 127.366 -1.236 26059 11980 1 17 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.853 -0.131 26059 11981 1 17 . 1 1 56 56 PHE C C 56 174.000 174.000 175.008 -1.008 26059 11982 1 17 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.049 0.531 26059 11983 1 17 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.257 0.633 26059 11984 1 17 . 1 1 56 56 PHE H H 56 9.290 9.290 9.036 0.254 26059 11985 1 17 . 1 1 57 57 HIS N N 57 124.180 124.180 125.182 -1.002 26059 11986 1 17 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.886 -0.086 26059 11987 1 17 . 1 1 57 57 HIS C C 57 174.700 174.700 175.214 -0.514 26059 11988 1 17 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.731 -1.411 26059 11989 1 17 . 1 1 57 57 HIS CB C 57 30.100 30.100 27.906 2.194 26059 11990 1 17 . 1 1 57 57 HIS H H 57 8.690 8.690 8.268 0.422 26059 11991 1 17 . 1 1 58 58 LEU N N 58 122.050 122.050 124.028 -1.978 26059 11992 1 17 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.528 -0.218 26059 11993 1 17 . 1 1 58 58 LEU C C 58 174.400 174.400 176.996 -2.596 26059 11994 1 17 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.300 1.110 26059 11995 1 17 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.824 -1.664 26059 11996 1 17 . 1 1 58 58 LEU H H 58 9.050 9.050 8.719 0.331 26059 11997 1 17 . 1 1 59 59 HIS N N 59 118.510 118.510 117.889 0.621 26059 11998 1 17 . 1 1 59 59 HIS C C 59 175.300 175.300 176.858 -1.558 26059 11999 1 17 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.594 3.516 26059 12000 1 17 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.057 -0.127 26059 12001 1 17 . 1 1 59 59 HIS H H 59 5.160 5.160 7.967 -2.807 26059 12002 1 17 . 1 1 60 60 GLU N N 60 122.190 122.190 124.727 -2.537 26059 12003 1 17 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.142 -0.182 26059 12004 1 17 . 1 1 60 60 GLU C C 60 175.130 175.130 177.488 -2.358 26059 12005 1 17 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.076 -0.066 26059 12006 1 17 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.869 -0.049 26059 12007 1 17 . 1 1 60 60 GLU H H 60 7.960 7.960 8.674 -0.714 26059 12008 1 17 . 1 1 61 61 SER N N 61 116.940 116.940 113.261 3.679 26059 12009 1 17 . 1 1 61 61 SER HA H 61 4.200 4.200 4.384 -0.184 26059 12010 1 17 . 1 1 61 61 SER CA C 61 60.010 60.010 59.231 0.779 26059 12011 1 17 . 1 1 61 61 SER CB C 61 63.140 63.140 63.501 -0.361 26059 12012 1 17 . 1 1 61 61 SER H H 61 8.540 8.540 8.299 0.241 26059 12013 1 17 . 1 1 62 62 PHE N N 62 123.700 123.700 122.395 1.305 26059 12014 1 17 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.789 -0.199 26059 12015 1 17 . 1 1 62 62 PHE CA C 62 57.400 57.400 55.803 1.597 26059 12016 1 17 . 1 1 62 62 PHE CB C 62 38.400 38.400 38.894 -0.494 26059 12017 1 17 . 1 1 62 62 PHE H H 62 8.640 8.640 8.044 0.596 26059 12018 1 17 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.495 -0.085 26059 12019 1 17 . 1 1 63 63 PRO C C 63 176.400 176.400 176.363 0.037 26059 12020 1 17 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.399 -0.799 26059 12021 1 17 . 1 1 63 63 PRO CB C 63 31.860 31.860 31.841 0.019 26059 12022 1 17 . 1 1 64 64 ARG N N 64 116.840 116.840 121.576 -4.736 26059 12023 1 17 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.101 -0.001 26059 12024 1 17 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.019 -0.409 26059 12025 1 17 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.798 0.032 26059 12026 1 17 . 1 1 64 64 ARG H H 64 8.890 8.890 8.800 0.090 26059 12027 1 17 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.323 -0.333 26059 12028 1 17 . 1 1 65 65 PRO C C 65 175.800 175.800 176.801 -1.001 26059 12029 1 17 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.697 1.113 26059 12030 1 17 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.203 -0.323 26059 12031 1 17 . 1 1 66 66 LYS N N 66 119.035 119.035 119.644 -0.609 26059 12032 1 17 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.448 0.162 26059 12033 1 17 . 1 1 66 66 LYS C C 66 175.400 175.400 175.670 -0.270 26059 12034 1 17 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.483 -0.030 26059 12035 1 17 . 1 1 66 66 LYS CB C 66 31.730 31.730 33.037 -1.307 26059 12036 1 17 . 1 1 66 66 LYS H H 66 7.630 7.630 7.942 -0.312 26059 12037 1 17 . 1 1 67 67 ARG N N 67 127.394 127.394 128.199 -0.805 26059 12038 1 17 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.709 0.031 26059 12039 1 17 . 1 1 67 67 ARG C C 67 174.500 174.500 175.094 -0.594 26059 12040 1 17 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.965 -0.165 26059 12041 1 17 . 1 1 67 67 ARG CB C 67 29.714 29.714 30.477 -0.763 26059 12042 1 17 . 1 1 67 67 ARG H H 67 8.855 8.855 8.274 0.581 26059 12043 1 17 . 1 1 68 68 VAL N N 68 124.388 124.388 120.761 3.627 26059 12044 1 17 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.320 -0.740 26059 12045 1 17 . 1 1 68 68 VAL C C 68 176.850 176.850 176.235 0.615 26059 12046 1 17 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.922 1.151 26059 12047 1 17 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.084 0.520 26059 12048 1 17 . 1 1 68 68 VAL H H 68 8.681 8.681 8.380 0.301 26059 12049 1 17 . 1 1 69 69 CYS N N 69 127.080 127.080 127.759 -0.679 26059 12050 1 17 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.875 0.195 26059 12051 1 17 . 1 1 69 69 CYS CA C 69 58.346 58.346 57.476 0.870 26059 12052 1 17 . 1 1 69 69 CYS CB C 69 30.170 30.170 28.617 1.553 26059 12053 1 17 . 1 1 69 69 CYS H H 69 9.455 9.455 9.222 0.233 26059 12054 1 17 . 1 1 70 70 LYS N N 70 125.480 125.480 124.203 1.277 26059 12055 1 17 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.592 -0.102 26059 12056 1 17 . 1 1 70 70 LYS C C 70 174.300 174.300 176.611 -2.311 26059 12057 1 17 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.834 -0.474 26059 12058 1 17 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.452 -0.282 26059 12059 1 17 . 1 1 70 70 LYS H H 70 9.050 9.050 8.688 0.362 26059 12060 1 17 . 1 1 71 71 ASP N N 71 116.940 116.940 122.205 -5.265 26059 12061 1 17 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.809 0.291 26059 12062 1 17 . 1 1 71 71 ASP CA C 71 51.080 51.080 53.779 -2.700 26059 12063 1 17 . 1 1 71 71 ASP CB C 71 43.380 43.380 40.557 2.823 26059 12064 1 17 . 1 1 71 71 ASP H H 71 7.620 7.620 8.113 -0.493 26059 12065 1 17 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.193 -0.933 26059 12066 1 17 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.863 -2.213 26059 12067 1 17 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.938 -0.898 26059 12068 1 17 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.933 0.167 26059 12069 1 17 . 1 1 73 73 PRO C C 73 174.700 174.700 176.276 -1.576 26059 12070 1 17 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.854 -2.164 26059 12071 1 17 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.369 2.671 26059 12072 1 17 . 1 1 74 74 TYR N N 74 125.400 125.400 125.202 0.198 26059 12073 1 17 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.375 0.475 26059 12074 1 17 . 1 1 74 74 TYR C C 74 172.900 172.900 175.356 -2.456 26059 12075 1 17 . 1 1 74 74 TYR CA C 74 55.670 55.670 59.170 -3.500 26059 12076 1 17 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.861 -1.461 26059 12077 1 17 . 1 1 74 74 TYR H H 74 8.960 8.960 8.221 0.739 26059 12078 1 17 . 1 1 75 75 LYS N N 75 121.400 121.400 119.674 1.726 26059 12079 1 17 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.592 -0.002 26059 12080 1 17 . 1 1 75 75 LYS C C 75 173.800 173.800 174.878 -1.078 26059 12081 1 17 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.055 0.595 26059 12082 1 17 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.241 -1.351 26059 12083 1 17 . 1 1 75 75 LYS H H 75 7.670 7.670 7.938 -0.268 26059 12084 1 17 . 1 1 76 76 VAL N N 76 119.800 119.800 122.177 -2.377 26059 12085 1 17 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.295 -0.405 26059 12086 1 17 . 1 1 76 76 VAL C C 76 173.900 173.900 174.413 -0.513 26059 12087 1 17 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.482 1.248 26059 12088 1 17 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.291 0.249 26059 12089 1 17 . 1 1 76 76 VAL H H 76 8.180 8.180 8.608 -0.428 26059 12090 1 17 . 1 1 77 77 GLU N N 77 126.190 126.190 126.291 -0.101 26059 12091 1 17 . 1 1 77 77 GLU HA H 77 4.950 4.950 4.982 -0.032 26059 12092 1 17 . 1 1 77 77 GLU C C 77 174.700 174.700 175.411 -0.711 26059 12093 1 17 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.959 -0.019 26059 12094 1 17 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.318 0.232 26059 12095 1 17 . 1 1 77 77 GLU H H 77 8.270 8.270 8.738 -0.468 26059 12096 1 17 . 1 1 78 78 GLU N N 78 126.180 126.180 123.555 2.625 26059 12097 1 17 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.607 -0.157 26059 12098 1 17 . 1 1 78 78 GLU C C 78 175.400 175.400 173.614 1.786 26059 12099 1 17 . 1 1 78 78 GLU CA C 78 54.000 54.000 54.269 -0.269 26059 12100 1 17 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.874 3.226 26059 12101 1 17 . 1 1 78 78 GLU H H 78 7.870 7.870 8.189 -0.319 26059 12102 1 17 . 1 1 79 79 SER N N 79 112.109 112.109 114.808 -2.699 26059 12103 1 17 . 1 1 79 79 SER HA H 79 5.560 5.560 5.576 -0.016 26059 12104 1 17 . 1 1 79 79 SER C C 79 172.490 172.490 173.422 -0.932 26059 12105 1 17 . 1 1 79 79 SER CA C 79 57.754 57.754 55.999 1.755 26059 12106 1 17 . 1 1 79 79 SER CB C 79 65.861 65.861 65.695 0.166 26059 12107 1 17 . 1 1 79 79 SER H H 79 7.714 7.714 8.371 -0.657 26059 12108 1 17 . 1 1 80 80 GLY N N 80 106.048 106.048 110.411 -4.363 26059 12109 1 17 . 1 1 80 80 GLY C C 80 172.630 172.630 172.021 0.609 26059 12110 1 17 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.136 0.564 26059 12111 1 17 . 1 1 80 80 GLY H H 80 8.828 8.828 8.767 0.061 26059 12112 1 17 . 1 1 81 81 TYR N N 81 115.280 115.280 116.164 -0.884 26059 12113 1 17 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.425 0.255 26059 12114 1 17 . 1 1 81 81 TYR C C 81 174.100 174.100 174.424 -0.324 26059 12115 1 17 . 1 1 81 81 TYR CA C 81 55.500 55.500 56.550 -1.050 26059 12116 1 17 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.249 0.750 26059 12117 1 17 . 1 1 81 81 TYR H H 81 8.770 8.770 8.076 0.694 26059 12118 1 17 . 1 1 82 82 ALA N N 82 122.350 122.350 122.490 -0.140 26059 12119 1 17 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.442 -0.002 26059 12120 1 17 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.782 -0.743 26059 12121 1 17 . 1 1 82 82 ALA CB C 82 22.400 22.400 20.536 1.864 26059 12122 1 17 . 1 1 82 82 ALA H H 82 7.160 7.160 7.462 -0.302 26059 12123 1 17 . 1 1 83 83 GLY N N 83 107.100 107.100 109.456 -2.356 26059 12124 1 17 . 1 1 83 83 GLY C C 83 172.500 172.500 173.238 -0.738 26059 12125 1 17 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.492 0.118 26059 12126 1 17 . 1 1 83 83 GLY H H 83 8.220 8.220 8.366 -0.146 26059 12127 1 17 . 1 1 84 84 PHE N N 84 111.660 111.660 116.454 -4.794 26059 12128 1 17 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.604 0.086 26059 12129 1 17 . 1 1 84 84 PHE C C 84 172.460 172.460 173.592 -1.132 26059 12130 1 17 . 1 1 84 84 PHE CA C 84 56.500 56.500 56.106 0.394 26059 12131 1 17 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.861 -1.281 26059 12132 1 17 . 1 1 84 84 PHE H H 84 7.700 7.700 8.241 -0.541 26059 12133 1 17 . 1 1 85 85 ILE N N 85 117.810 117.810 121.933 -4.123 26059 12134 1 17 . 1 1 85 85 ILE HA H 85 4.310 4.310 4.037 0.273 26059 12135 1 17 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.610 -1.270 26059 12136 1 17 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.978 -1.718 26059 12137 1 17 . 1 1 85 85 ILE H H 85 8.340 8.340 8.365 -0.025 26059 12138 1 17 . 1 1 86 86 LEU N N 86 108.130 108.130 129.250 -21.120 26059 12139 1 17 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.853 0.127 26059 12140 1 17 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.721 2.479 26059 12141 1 17 . 1 1 86 86 LEU CB C 86 45.300 45.300 44.265 1.035 26059 12142 1 17 . 1 1 86 86 LEU H H 86 9.900 9.900 8.689 1.211 26059 12143 1 17 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.788 0.312 26059 12144 1 17 . 1 1 87 87 PRO C C 87 175.340 175.340 175.989 -0.649 26059 12145 1 17 . 1 1 87 87 PRO CA C 87 63.110 63.110 62.960 0.150 26059 12146 1 17 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.341 0.219 26059 12147 1 17 . 1 1 88 88 ILE N N 88 126.000 126.000 126.907 -0.907 26059 12148 1 17 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.602 0.188 26059 12149 1 17 . 1 1 88 88 ILE C C 88 176.100 176.100 174.858 1.242 26059 12150 1 17 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.160 0.401 26059 12151 1 17 . 1 1 88 88 ILE CB C 88 42.000 42.000 40.043 1.957 26059 12152 1 17 . 1 1 88 88 ILE H H 88 9.380 9.380 9.153 0.227 26059 12153 1 17 . 1 1 89 89 GLU N N 89 123.900 123.900 127.937 -4.037 26059 12154 1 17 . 1 1 89 89 GLU HA H 89 5.200 5.200 4.975 0.225 26059 12155 1 17 . 1 1 89 89 GLU C C 89 173.800 173.800 175.326 -1.526 26059 12156 1 17 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.428 -0.458 26059 12157 1 17 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.698 2.682 26059 12158 1 17 . 1 1 89 89 GLU H H 89 9.320 9.320 8.662 0.658 26059 12159 1 17 . 1 1 90 90 VAL N N 90 123.980 123.980 124.953 -0.973 26059 12160 1 17 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.806 0.354 26059 12161 1 17 . 1 1 90 90 VAL C C 90 174.800 174.800 174.503 0.297 26059 12162 1 17 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.868 -0.478 26059 12163 1 17 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.373 0.117 26059 12164 1 17 . 1 1 90 90 VAL H H 90 8.630 8.630 7.925 0.705 26059 12165 1 17 . 1 1 91 91 TYR N N 91 124.230 124.230 126.761 -2.531 26059 12166 1 17 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.601 0.059 26059 12167 1 17 . 1 1 91 91 TYR C C 91 176.800 176.800 175.563 1.237 26059 12168 1 17 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.519 -0.819 26059 12169 1 17 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.526 0.714 26059 12170 1 17 . 1 1 91 91 TYR H H 91 8.640 8.640 8.971 -0.331 26059 12171 1 17 . 1 1 92 92 PHE N N 92 121.200 121.200 122.189 -0.989 26059 12172 1 17 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.362 0.298 26059 12173 1 17 . 1 1 92 92 PHE CA C 92 56.510 56.510 54.943 1.567 26059 12174 1 17 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.386 -0.386 26059 12175 1 17 . 1 1 92 92 PHE H H 92 8.750 8.750 9.080 -0.330 26059 12176 1 17 . 1 1 93 93 LYS N N 93 123.450 123.450 123.464 -0.014 26059 12177 1 17 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.504 0.096 26059 12178 1 17 . 1 1 93 93 LYS C C 93 174.200 174.200 175.135 -0.935 26059 12179 1 17 . 1 1 93 93 LYS CA C 93 55.180 55.180 56.137 -0.957 26059 12180 1 17 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.858 -0.178 26059 12181 1 17 . 1 1 93 93 LYS H H 93 8.560 8.560 9.060 -0.500 26059 12182 1 17 . 1 1 94 94 ASN N N 94 118.800 118.800 122.667 -3.867 26059 12183 1 17 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.871 -0.431 26059 12184 1 17 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.944 -1.734 26059 12185 1 17 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.361 -1.561 26059 12186 1 17 . 1 1 94 94 ASN H H 94 7.820 7.820 8.060 -0.240 26059 12187 1 17 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.413 -0.083 26059 12188 1 17 . 1 1 95 95 LYS C C 95 175.800 175.800 176.288 -0.488 26059 12189 1 17 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.747 -0.537 26059 12190 1 17 . 1 1 95 95 LYS CB C 95 33.010 33.010 33.075 -0.065 26059 12191 1 17 . 1 1 96 96 GLU N N 96 118.330 118.330 119.200 -0.870 26059 12192 1 17 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.264 0.246 26059 12193 1 17 . 1 1 96 96 GLU C C 96 173.200 173.200 175.717 -2.517 26059 12194 1 17 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.982 -0.882 26059 12195 1 17 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.942 0.528 26059 12196 1 17 . 1 1 96 96 GLU H H 96 7.120 7.120 7.464 -0.344 26059 12197 1 17 . 1 1 97 97 GLU N N 97 115.630 115.630 119.652 -4.022 26059 12198 1 17 . 1 1 97 97 GLU HA H 97 4.430 4.430 3.976 0.454 26059 12199 1 17 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.589 -1.729 26059 12200 1 17 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.322 0.948 26059 12201 1 17 . 1 1 97 97 GLU H H 97 8.060 8.060 8.511 -0.451 26059 12202 1 17 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.200 0.800 26059 12203 1 17 . 1 1 98 98 PRO C C 98 175.900 175.900 176.735 -0.835 26059 12204 1 17 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.137 -1.977 26059 12205 1 17 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.834 2.166 26059 12206 1 17 . 1 1 99 99 ARG N N 99 122.800 122.800 120.159 2.641 26059 12207 1 17 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.480 0.150 26059 12208 1 17 . 1 1 99 99 ARG C C 99 175.800 175.800 175.628 0.172 26059 12209 1 17 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.805 0.395 26059 12210 1 17 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.576 -0.166 26059 12211 1 17 . 1 1 99 99 ARG H H 99 8.602 8.602 8.623 -0.021 26059 12212 1 17 . 1 1 100 100 LYS N N 100 113.220 113.220 116.160 -2.940 26059 12213 1 17 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.787 0.153 26059 12214 1 17 . 1 1 100 100 LYS C C 100 174.100 174.100 174.425 -0.325 26059 12215 1 17 . 1 1 100 100 LYS CA C 100 53.391 53.391 54.357 -0.966 26059 12216 1 17 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.675 -0.955 26059 12217 1 17 . 1 1 100 100 LYS H H 100 7.650 7.650 7.319 0.331 26059 12218 1 17 . 1 1 101 101 VAL N N 101 116.230 116.230 117.357 -1.127 26059 12219 1 17 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.377 -0.107 26059 12220 1 17 . 1 1 101 101 VAL C C 101 171.600 171.600 173.401 -1.801 26059 12221 1 17 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.248 1.012 26059 12222 1 17 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.529 -0.349 26059 12223 1 17 . 1 1 101 101 VAL H H 101 8.120 8.120 8.179 -0.059 26059 12224 1 17 . 1 1 102 102 ARG N N 102 124.980 124.980 123.708 1.272 26059 12225 1 17 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.668 0.492 26059 12226 1 17 . 1 1 102 102 ARG C C 102 174.340 174.340 174.810 -0.470 26059 12227 1 17 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.764 -1.014 26059 12228 1 17 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.578 1.772 26059 12229 1 17 . 1 1 102 102 ARG H H 102 7.930 7.930 8.057 -0.127 26059 12230 1 17 . 1 1 103 103 PHE N N 103 124.590 124.590 126.151 -1.561 26059 12231 1 17 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.704 0.088 26059 12232 1 17 . 1 1 103 103 PHE C C 103 174.280 174.280 175.179 -0.899 26059 12233 1 17 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.691 0.789 26059 12234 1 17 . 1 1 103 103 PHE CB C 103 42.250 42.250 41.059 1.191 26059 12235 1 17 . 1 1 103 103 PHE H H 103 9.390 9.390 9.085 0.305 26059 12236 1 17 . 1 1 104 104 ASP N N 104 124.700 124.700 122.812 1.888 26059 12237 1 17 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.672 0.127 26059 12238 1 17 . 1 1 104 104 ASP C C 104 174.500 174.500 174.552 -0.052 26059 12239 1 17 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.472 0.918 26059 12240 1 17 . 1 1 104 104 ASP CB C 104 40.230 40.230 41.510 -1.280 26059 12241 1 17 . 1 1 104 104 ASP H H 104 9.010 9.010 8.896 0.114 26059 12242 1 17 . 1 1 105 105 TYR N N 105 129.840 129.840 123.774 6.066 26059 12243 1 17 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.728 -0.658 26059 12244 1 17 . 1 1 105 105 TYR C C 105 173.100 173.100 173.066 0.034 26059 12245 1 17 . 1 1 105 105 TYR CA C 105 58.680 58.680 57.017 1.663 26059 12246 1 17 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.376 -0.526 26059 12247 1 17 . 1 1 105 105 TYR H H 105 8.140 8.140 8.159 -0.019 26059 12248 1 17 . 1 1 106 106 ASP N N 106 126.800 126.800 128.092 -1.292 26059 12249 1 17 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.419 -0.199 26059 12250 1 17 . 1 1 106 106 ASP C C 106 172.900 172.900 174.202 -1.302 26059 12251 1 17 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.818 -0.308 26059 12252 1 17 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.632 -2.132 26059 12253 1 17 . 1 1 106 106 ASP H H 106 7.730 7.730 8.416 -0.686 26059 12254 1 17 . 1 1 107 107 LEU N N 107 132.150 132.150 128.002 4.148 26059 12255 1 17 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.440 -0.600 26059 12256 1 17 . 1 1 107 107 LEU C C 107 172.100 172.100 174.548 -2.448 26059 12257 1 17 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.975 -0.775 26059 12258 1 17 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.844 -1.604 26059 12259 1 17 . 1 1 107 107 LEU H H 107 7.770 7.770 7.479 0.291 26059 12260 1 17 . 1 1 108 108 PHE N N 108 118.960 118.960 121.012 -2.052 26059 12261 1 17 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.878 -0.188 26059 12262 1 17 . 1 1 108 108 PHE C C 108 174.300 174.300 173.465 0.835 26059 12263 1 17 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.254 -0.564 26059 12264 1 17 . 1 1 108 108 PHE CB C 108 40.290 40.290 41.251 -0.961 26059 12265 1 17 . 1 1 108 108 PHE H H 108 6.060 6.060 7.138 -1.078 26059 12266 1 17 . 1 1 109 109 LEU N N 109 118.900 118.900 119.332 -0.432 26059 12267 1 17 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.586 -0.186 26059 12268 1 17 . 1 1 109 109 LEU CA C 109 52.160 52.160 52.914 -0.754 26059 12269 1 17 . 1 1 109 109 LEU CB C 109 43.080 43.080 44.600 -1.520 26059 12270 1 17 . 1 1 109 109 LEU H H 109 8.388 8.388 8.198 0.190 26059 12271 1 17 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.259 0.181 26059 12272 1 17 . 1 1 111 111 LEU C C 111 177.300 177.300 177.115 0.185 26059 12273 1 17 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.709 -1.488 26059 12274 1 17 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.427 1.443 26059 12275 1 17 . 1 1 112 112 GLU N N 112 120.660 120.660 122.402 -1.742 26059 12276 1 17 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.080 0.090 26059 12277 1 17 . 1 1 112 112 GLU CA C 112 58.460 58.460 57.708 0.752 26059 12278 1 17 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.342 -0.152 26059 12279 1 17 . 1 1 112 112 GLU H H 112 8.780 8.780 8.775 0.005 26059 12280 1 17 . 1 1 113 113 GLY C C 113 173.900 173.900 173.801 0.099 26059 12281 1 17 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.865 0.085 26059 12282 1 17 . 1 1 114 114 HIS N N 114 120.890 120.890 119.252 1.638 26059 12283 1 17 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.902 0.004 26059 12284 1 17 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.618 1.152 26059 12285 1 17 . 1 1 114 114 HIS CB C 114 30.590 30.590 32.539 -1.950 26059 12286 1 17 . 1 1 114 114 HIS H H 114 7.934 7.934 7.991 -0.057 26059 12287 1 17 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.395 0.405 26059 12288 1 17 . 1 1 115 115 PRO CA C 115 62.090 62.090 62.999 -0.909 26059 12289 1 17 . 1 1 115 115 PRO CB C 115 30.680 30.680 31.040 -0.359 26059 12290 1 17 . 1 1 116 116 PRO HA H 116 4.210 4.210 5.046 -0.836 26059 12291 1 17 . 1 1 116 116 PRO C C 116 176.600 176.600 175.937 0.663 26059 12292 1 17 . 1 1 116 116 PRO CB C 116 32.300 32.300 33.753 -1.453 26059 12293 1 17 . 1 1 117 117 VAL N N 117 127.480 127.480 120.699 6.781 26059 12294 1 17 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.022 -0.232 26059 12295 1 17 . 1 1 117 117 VAL CA C 117 62.700 62.700 60.895 1.805 26059 12296 1 17 . 1 1 117 117 VAL CB C 117 33.200 33.200 31.075 2.125 26059 12297 1 17 . 1 1 117 117 VAL H H 117 8.890 8.890 8.268 0.622 26059 12298 1 17 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.118 -0.128 26059 12299 1 17 . 1 1 118 118 ASN C C 118 172.700 172.700 173.992 -1.292 26059 12300 1 17 . 1 1 118 118 ASN CA C 118 53.360 53.360 52.401 0.959 26059 12301 1 17 . 1 1 118 118 ASN CB C 118 39.200 39.200 39.738 -0.538 26059 12302 1 17 . 1 1 119 119 HIS N N 119 124.930 124.930 126.467 -1.537 26059 12303 1 17 . 1 1 119 119 HIS HA H 119 4.820 4.820 4.958 -0.138 26059 12304 1 17 . 1 1 119 119 HIS C C 119 173.500 173.500 173.391 0.109 26059 12305 1 17 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.026 1.944 26059 12306 1 17 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.153 1.117 26059 12307 1 17 . 1 1 119 119 HIS H H 119 8.790 8.790 8.277 0.513 26059 12308 1 17 . 1 1 120 120 LEU N N 120 128.280 128.280 125.889 2.391 26059 12309 1 17 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.498 0.452 26059 12310 1 17 . 1 1 120 120 LEU C C 120 174.030 174.030 175.907 -1.877 26059 12311 1 17 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.692 0.308 26059 12312 1 17 . 1 1 120 120 LEU CB C 120 46.600 46.600 44.063 2.537 26059 12313 1 17 . 1 1 120 120 LEU H H 120 7.460 7.460 8.437 -0.977 26059 12314 1 17 . 1 1 121 121 ARG N N 121 128.060 128.060 122.188 5.872 26059 12315 1 17 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.519 0.121 26059 12316 1 17 . 1 1 121 121 ARG C C 121 173.400 173.400 173.393 0.007 26059 12317 1 17 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.972 -0.612 26059 12318 1 17 . 1 1 121 121 ARG CB C 121 34.260 34.260 33.299 0.961 26059 12319 1 17 . 1 1 121 121 ARG H H 121 9.860 9.860 8.631 1.229 26059 12320 1 17 . 1 1 122 122 CYS N N 122 125.290 125.290 124.599 0.691 26059 12321 1 17 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.225 -0.205 26059 12322 1 17 . 1 1 122 122 CYS C C 122 174.600 174.600 173.655 0.945 26059 12323 1 17 . 1 1 122 122 CYS CA C 122 58.290 58.290 56.934 1.356 26059 12324 1 17 . 1 1 122 122 CYS CB C 122 28.030 28.030 30.325 -2.295 26059 12325 1 17 . 1 1 122 122 CYS H H 122 8.835 8.835 8.707 0.128 26059 12326 1 17 . 1 1 123 123 GLU N N 123 125.920 125.920 126.806 -0.886 26059 12327 1 17 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.524 0.156 26059 12328 1 17 . 1 1 123 123 GLU C C 123 174.500 174.500 174.577 -0.077 26059 12329 1 17 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.698 -0.278 26059 12330 1 17 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.837 -0.254 26059 12331 1 17 . 1 1 123 123 GLU H H 123 8.970 8.970 9.003 -0.033 26059 12332 1 17 . 1 1 124 124 LYS N N 124 121.837 121.837 125.100 -3.263 26059 12333 1 17 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.978 -0.018 26059 12334 1 17 . 1 1 124 124 LYS C C 124 175.700 175.700 176.045 -0.345 26059 12335 1 17 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.203 0.154 26059 12336 1 17 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.902 0.287 26059 12337 1 17 . 1 1 124 124 LYS H H 124 8.652 8.652 8.503 0.149 26059 12338 1 17 . 1 1 125 125 LEU N N 125 127.000 127.000 129.656 -2.656 26059 12339 1 17 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.494 0.156 26059 12340 1 17 . 1 1 125 125 LEU C C 125 175.110 175.110 175.300 -0.190 26059 12341 1 17 . 1 1 125 125 LEU CA C 125 53.854 53.854 54.013 -0.159 26059 12342 1 17 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.713 1.554 26059 12343 1 17 . 1 1 125 125 LEU H H 125 9.175 9.175 9.205 -0.030 26059 12344 1 17 . 1 1 126 126 THR N N 126 117.779 117.779 120.783 -3.004 26059 12345 1 17 . 1 1 126 126 THR HA H 126 4.650 4.650 4.585 0.065 26059 12346 1 17 . 1 1 126 126 THR C C 126 173.200 173.200 173.570 -0.370 26059 12347 1 17 . 1 1 126 126 THR CA C 126 62.036 62.036 61.872 0.164 26059 12348 1 17 . 1 1 126 126 THR CB C 126 70.284 70.284 69.468 0.816 26059 12349 1 17 . 1 1 126 126 THR H H 126 8.331 8.331 8.408 -0.077 26059 12350 1 17 . 1 1 127 127 PHE N N 127 126.576 126.576 128.000 -1.424 26059 12351 1 17 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.764 -0.174 26059 12352 1 17 . 1 1 127 127 PHE C C 127 174.860 174.860 174.366 0.494 26059 12353 1 17 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.525 1.339 26059 12354 1 17 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.239 -1.239 26059 12355 1 17 . 1 1 127 127 PHE H H 127 9.051 9.051 9.022 0.029 26059 12356 1 17 . 1 1 128 128 ASN N N 128 123.040 123.040 122.667 0.373 26059 12357 1 17 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.713 -0.093 26059 12358 1 17 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.503 0.977 26059 12359 1 17 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.924 0.536 26059 12360 1 17 . 1 1 128 128 ASN H H 128 8.880 8.880 8.834 0.046 26059 12361 1 17 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.628 0.132 26059 12362 1 17 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.612 -0.712 26059 12363 1 17 . 1 1 129 129 ASN CB C 129 38.730 38.730 36.696 2.034 26059 12364 1 17 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.652 0.138 26059 12365 1 17 . 1 1 130 130 PRO C C 130 177.470 177.470 177.055 0.415 26059 12366 1 17 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.455 0.119 26059 12367 1 17 . 1 1 130 130 PRO CB C 130 32.310 32.310 33.197 -0.887 26059 12368 1 17 . 1 1 131 131 THR N N 131 113.400 113.400 112.176 1.224 26059 12369 1 17 . 1 1 131 131 THR HA H 131 4.300 4.300 4.279 0.021 26059 12370 1 17 . 1 1 131 131 THR C C 131 175.200 175.200 176.030 -0.830 26059 12371 1 17 . 1 1 131 131 THR CA C 131 62.200 62.200 61.266 0.934 26059 12372 1 17 . 1 1 131 131 THR CB C 131 70.600 70.600 69.833 0.767 26059 12373 1 17 . 1 1 131 131 THR H H 131 8.950 8.950 8.417 0.533 26059 12374 1 17 . 1 1 132 132 GLU N N 132 122.199 122.199 124.687 -2.488 26059 12375 1 17 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.862 0.148 26059 12376 1 17 . 1 1 132 132 GLU C C 132 178.700 178.700 178.481 0.219 26059 12377 1 17 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.662 -0.368 26059 12378 1 17 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.705 -0.544 26059 12379 1 17 . 1 1 132 132 GLU H H 132 8.932 8.932 9.022 -0.090 26059 12380 1 17 . 1 1 133 133 ASP N N 133 116.324 116.324 117.716 -1.392 26059 12381 1 17 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.439 -0.109 26059 12382 1 17 . 1 1 133 133 ASP C C 133 177.800 177.800 178.189 -0.389 26059 12383 1 17 . 1 1 133 133 ASP CA C 133 57.360 57.360 57.092 0.268 26059 12384 1 17 . 1 1 133 133 ASP CB C 133 41.823 41.823 40.515 1.308 26059 12385 1 17 . 1 1 133 133 ASP H H 133 8.490 8.490 8.729 -0.239 26059 12386 1 17 . 1 1 134 134 PHE N N 134 119.914 119.914 120.016 -0.102 26059 12387 1 17 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.209 0.401 26059 12388 1 17 . 1 1 134 134 PHE C C 134 177.300 177.300 176.990 0.310 26059 12389 1 17 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.480 -0.942 26059 12390 1 17 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.313 -0.113 26059 12391 1 17 . 1 1 134 134 PHE H H 134 7.787 7.787 7.744 0.043 26059 12392 1 17 . 1 1 135 135 ARG N N 135 119.794 119.794 120.755 -0.961 26059 12393 1 17 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.756 -0.406 26059 12394 1 17 . 1 1 135 135 ARG C C 135 177.370 177.370 178.084 -0.714 26059 12395 1 17 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.034 0.342 26059 12396 1 17 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.048 0.348 26059 12397 1 17 . 1 1 135 135 ARG H H 135 9.087 9.087 8.543 0.544 26059 12398 1 17 . 1 1 136 136 ARG N N 136 114.554 114.554 118.779 -4.225 26059 12399 1 17 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.950 -0.130 26059 12400 1 17 . 1 1 136 136 ARG C C 136 178.950 178.950 178.512 0.438 26059 12401 1 17 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.673 -0.374 26059 12402 1 17 . 1 1 136 136 ARG CB C 136 30.217 30.217 29.988 0.229 26059 12403 1 17 . 1 1 136 136 ARG H H 136 7.747 7.747 8.528 -0.781 26059 12404 1 17 . 1 1 137 137 LYS N N 137 118.298 118.298 118.697 -0.399 26059 12405 1 17 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.046 -0.146 26059 12406 1 17 . 1 1 137 137 LYS C C 137 177.980 177.980 178.934 -0.954 26059 12407 1 17 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.444 0.951 26059 12408 1 17 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.307 0.140 26059 12409 1 17 . 1 1 137 137 LYS H H 137 7.154 7.154 7.401 -0.247 26059 12410 1 17 . 1 1 138 138 LEU N N 138 117.159 117.159 119.117 -1.958 26059 12411 1 17 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.725 -0.305 26059 12412 1 17 . 1 1 138 138 LEU C C 138 179.100 179.100 178.583 0.517 26059 12413 1 17 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.159 0.072 26059 12414 1 17 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.508 0.820 26059 12415 1 17 . 1 1 138 138 LEU H H 138 7.709 7.709 7.759 -0.050 26059 12416 1 17 . 1 1 139 139 LEU N N 139 115.158 115.158 117.068 -1.910 26059 12417 1 17 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.096 0.054 26059 12418 1 17 . 1 1 139 139 LEU C C 139 177.600 177.600 178.717 -1.117 26059 12419 1 17 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.794 -1.265 26059 12420 1 17 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.981 -0.237 26059 12421 1 17 . 1 1 139 139 LEU H H 139 7.507 7.507 8.116 -0.609 26059 12422 1 17 . 1 1 140 140 LYS N N 140 120.256 120.256 119.445 0.811 26059 12423 1 17 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.022 0.088 26059 12424 1 17 . 1 1 140 140 LYS C C 140 175.800 175.800 177.293 -1.493 26059 12425 1 17 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.666 -0.614 26059 12426 1 17 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.739 -0.093 26059 12427 1 17 . 1 1 140 140 LYS H H 140 7.304 7.304 7.724 -0.420 26059 12428 1 18 . 1 1 4 4 MET C C 4 175.800 175.800 176.479 -0.679 26059 12429 1 18 . 1 1 4 4 MET CA C 4 55.350 55.350 55.745 -0.395 26059 12430 1 18 . 1 1 4 4 MET CB C 4 32.880 32.880 32.435 0.445 26059 12431 1 18 . 1 1 5 5 ALA N N 5 125.230 125.230 122.600 2.630 26059 12432 1 18 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.050 0.300 26059 12433 1 18 . 1 1 5 5 ALA CA C 5 52.430 52.430 51.947 0.483 26059 12434 1 18 . 1 1 5 5 ALA CB C 5 19.370 19.370 18.005 1.365 26059 12435 1 18 . 1 1 5 5 ALA H H 5 8.320 8.320 8.155 0.165 26059 12436 1 18 . 1 1 6 6 SER HA H 6 4.490 4.490 4.354 0.136 26059 12437 1 18 . 1 1 6 6 SER CA C 6 58.200 58.200 58.263 -0.063 26059 12438 1 18 . 1 1 6 6 SER CB C 6 63.700 63.700 63.665 0.035 26059 12439 1 18 . 1 1 7 7 SER HA H 7 4.530 4.530 4.428 0.102 26059 12440 1 18 . 1 1 7 7 SER CA C 7 58.200 58.200 59.476 -1.276 26059 12441 1 18 . 1 1 7 7 SER CB C 7 63.700 63.700 62.471 1.228 26059 12442 1 18 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.578 0.032 26059 12443 1 18 . 1 1 8 8 CYS C C 8 173.500 173.500 172.647 0.853 26059 12444 1 18 . 1 1 8 8 CYS CA C 8 58.340 58.340 58.612 -0.272 26059 12445 1 18 . 1 1 8 8 CYS CB C 8 28.490 28.490 29.532 -1.042 26059 12446 1 18 . 1 1 9 9 ALA N N 9 124.700 124.700 130.964 -6.264 26059 12447 1 18 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.099 -0.309 26059 12448 1 18 . 1 1 9 9 ALA C C 9 177.400 177.400 176.465 0.935 26059 12449 1 18 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.608 1.462 26059 12450 1 18 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.978 -0.349 26059 12451 1 18 . 1 1 9 9 ALA H H 9 7.960 7.960 8.168 -0.208 26059 12452 1 18 . 1 1 10 10 VAL N N 10 120.124 120.124 123.754 -3.630 26059 12453 1 18 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.339 -0.049 26059 12454 1 18 . 1 1 10 10 VAL C C 10 173.900 173.900 174.925 -1.025 26059 12455 1 18 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.205 0.345 26059 12456 1 18 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.342 1.558 26059 12457 1 18 . 1 1 10 10 VAL H H 10 8.424 8.424 8.590 -0.166 26059 12458 1 18 . 1 1 11 11 GLN N N 11 125.818 125.818 125.327 0.491 26059 12459 1 18 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.294 0.266 26059 12460 1 18 . 1 1 11 11 GLN C C 11 175.400 175.400 175.512 -0.112 26059 12461 1 18 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.401 -0.278 26059 12462 1 18 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.429 1.600 26059 12463 1 18 . 1 1 11 11 GLN H H 11 8.636 8.636 8.467 0.169 26059 12464 1 18 . 1 1 12 12 VAL N N 12 119.106 119.106 119.035 0.071 26059 12465 1 18 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.334 0.296 26059 12466 1 18 . 1 1 12 12 VAL C C 12 173.800 173.800 174.567 -0.767 26059 12467 1 18 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.728 0.072 26059 12468 1 18 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.523 2.188 26059 12469 1 18 . 1 1 12 12 VAL H H 12 8.827 8.827 8.669 0.158 26059 12470 1 18 . 1 1 13 13 LYS N N 13 121.700 121.700 120.734 0.966 26059 12471 1 18 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.408 -0.208 26059 12472 1 18 . 1 1 13 13 LYS C C 13 175.030 175.030 175.643 -0.613 26059 12473 1 18 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.432 -0.002 26059 12474 1 18 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.762 0.158 26059 12475 1 18 . 1 1 13 13 LYS H H 13 8.234 8.234 8.441 -0.207 26059 12476 1 18 . 1 1 14 14 LEU N N 14 119.100 119.100 122.160 -3.060 26059 12477 1 18 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.326 -0.376 26059 12478 1 18 . 1 1 14 14 LEU C C 14 175.110 175.110 175.106 0.004 26059 12479 1 18 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.237 0.120 26059 12480 1 18 . 1 1 14 14 LEU CB C 14 46.921 46.921 47.015 -0.094 26059 12481 1 18 . 1 1 14 14 LEU H H 14 8.840 8.840 9.023 -0.183 26059 12482 1 18 . 1 1 15 15 GLU N N 15 120.978 120.978 122.340 -1.362 26059 12483 1 18 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.226 -0.236 26059 12484 1 18 . 1 1 15 15 GLU C C 15 173.800 173.800 174.850 -1.050 26059 12485 1 18 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.383 1.045 26059 12486 1 18 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.558 -0.732 26059 12487 1 18 . 1 1 15 15 GLU H H 15 9.181 9.181 9.087 0.094 26059 12488 1 18 . 1 1 16 16 LEU N N 16 124.438 124.438 127.754 -3.316 26059 12489 1 18 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.193 -0.083 26059 12490 1 18 . 1 1 16 16 LEU C C 16 174.700 174.700 175.934 -1.234 26059 12491 1 18 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.824 0.252 26059 12492 1 18 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.120 3.772 26059 12493 1 18 . 1 1 16 16 LEU H H 16 8.891 8.891 8.162 0.729 26059 12494 1 18 . 1 1 17 17 GLY N N 17 108.067 108.067 110.700 -2.633 26059 12495 1 18 . 1 1 17 17 GLY C C 17 170.350 170.350 171.464 -1.114 26059 12496 1 18 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.555 2.429 26059 12497 1 18 . 1 1 17 17 GLY H H 17 7.227 7.227 8.707 -1.480 26059 12498 1 18 . 1 1 18 18 HIS N N 18 111.200 111.200 116.586 -5.386 26059 12499 1 18 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.169 0.451 26059 12500 1 18 . 1 1 18 18 HIS C C 18 172.400 172.400 172.606 -0.206 26059 12501 1 18 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.885 0.056 26059 12502 1 18 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.673 1.487 26059 12503 1 18 . 1 1 18 18 HIS H H 18 8.150 8.150 8.543 -0.393 26059 12504 1 18 . 1 1 19 19 ARG N N 19 117.800 117.800 120.059 -2.259 26059 12505 1 18 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.392 -0.292 26059 12506 1 18 . 1 1 19 19 ARG C C 19 175.800 175.800 174.712 1.088 26059 12507 1 18 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.096 -0.596 26059 12508 1 18 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.716 -0.066 26059 12509 1 18 . 1 1 19 19 ARG H H 19 9.010 9.010 8.739 0.271 26059 12510 1 18 . 1 1 20 20 ALA N N 20 120.390 120.390 123.228 -2.838 26059 12511 1 18 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.339 0.201 26059 12512 1 18 . 1 1 20 20 ALA C C 20 175.800 175.800 175.048 0.752 26059 12513 1 18 . 1 1 20 20 ALA CA C 20 51.590 51.590 51.385 0.205 26059 12514 1 18 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.677 1.073 26059 12515 1 18 . 1 1 20 20 ALA H H 20 8.070 8.070 8.762 -0.692 26059 12516 1 18 . 1 1 21 21 GLN N N 21 121.790 121.790 122.318 -0.528 26059 12517 1 18 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.326 -0.096 26059 12518 1 18 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.546 0.784 26059 12519 1 18 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.858 0.042 26059 12520 1 18 . 1 1 21 21 GLN H H 21 9.240 9.240 8.399 0.841 26059 12521 1 18 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.287 -0.657 26059 12522 1 18 . 1 1 22 22 VAL C C 22 176.500 176.500 175.364 1.136 26059 12523 1 18 . 1 1 22 22 VAL CA C 22 63.030 63.030 59.913 3.117 26059 12524 1 18 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.045 -2.445 26059 12525 1 18 . 1 1 23 23 ARG N N 23 127.840 127.840 123.922 3.918 26059 12526 1 18 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.615 -0.485 26059 12527 1 18 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.892 1.308 26059 12528 1 18 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.258 0.892 26059 12529 1 18 . 1 1 23 23 ARG H H 23 8.720 8.720 8.859 -0.139 26059 12530 1 18 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.134 -0.094 26059 12531 1 18 . 1 1 24 24 LYS C C 24 176.960 176.960 176.562 0.398 26059 12532 1 18 . 1 1 24 24 LYS CA C 24 58.800 58.800 58.152 0.648 26059 12533 1 18 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.483 -0.423 26059 12534 1 18 . 1 1 25 25 LYS N N 25 115.870 115.870 119.578 -3.708 26059 12535 1 18 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.723 0.107 26059 12536 1 18 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.482 -0.522 26059 12537 1 18 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.593 1.488 26059 12538 1 18 . 1 1 25 25 LYS H H 25 7.720 7.720 7.550 0.170 26059 12539 1 18 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.475 0.355 26059 12540 1 18 . 1 1 26 26 PRO C C 26 177.400 177.400 176.897 0.503 26059 12541 1 18 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.231 -0.581 26059 12542 1 18 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.218 0.173 26059 12543 1 18 . 1 1 27 27 THR N N 27 111.270 111.270 114.929 -3.659 26059 12544 1 18 . 1 1 27 27 THR HA H 27 4.530 4.530 4.251 0.279 26059 12545 1 18 . 1 1 27 27 THR C C 27 177.300 177.300 177.054 0.246 26059 12546 1 18 . 1 1 27 27 THR CA C 27 61.300 61.300 61.510 -0.210 26059 12547 1 18 . 1 1 27 27 THR CB C 27 71.460 71.460 69.932 1.528 26059 12548 1 18 . 1 1 27 27 THR H H 27 8.380 8.380 8.347 0.033 26059 12549 1 18 . 1 1 28 28 VAL N N 28 121.170 121.170 118.678 2.492 26059 12550 1 18 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.958 -0.075 26059 12551 1 18 . 1 1 28 28 VAL C C 28 177.030 177.030 176.076 0.954 26059 12552 1 18 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.651 0.549 26059 12553 1 18 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.494 -0.094 26059 12554 1 18 . 1 1 28 28 VAL H H 28 8.910 8.910 8.503 0.407 26059 12555 1 18 . 1 1 29 29 GLU N N 29 116.800 116.800 120.436 -3.636 26059 12556 1 18 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.033 -0.113 26059 12557 1 18 . 1 1 29 29 GLU C C 29 176.200 176.200 176.535 -0.335 26059 12558 1 18 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.684 1.566 26059 12559 1 18 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.424 -0.254 26059 12560 1 18 . 1 1 29 29 GLU H H 29 7.990 7.990 8.033 -0.043 26059 12561 1 18 . 1 1 30 30 GLY N N 30 105.500 105.500 107.668 -2.168 26059 12562 1 18 . 1 1 30 30 GLY C C 30 174.900 174.900 173.708 1.192 26059 12563 1 18 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.265 -0.805 26059 12564 1 18 . 1 1 30 30 GLY H H 30 7.950 7.950 7.554 0.396 26059 12565 1 18 . 1 1 31 31 PHE N N 31 119.300 119.300 118.235 1.065 26059 12566 1 18 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.943 -0.183 26059 12567 1 18 . 1 1 31 31 PHE C C 31 176.400 176.400 176.187 0.213 26059 12568 1 18 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.664 1.236 26059 12569 1 18 . 1 1 31 31 PHE CB C 31 35.500 35.500 40.325 -4.825 26059 12570 1 18 . 1 1 31 31 PHE H H 31 7.520 7.520 7.408 0.112 26059 12571 1 18 . 1 1 32 32 THR N N 32 112.300 112.300 115.865 -3.565 26059 12572 1 18 . 1 1 32 32 THR HA H 32 4.330 4.330 4.340 -0.010 26059 12573 1 18 . 1 1 32 32 THR C C 32 175.200 175.200 174.523 0.677 26059 12574 1 18 . 1 1 32 32 THR CA C 32 62.780 62.780 63.436 -0.656 26059 12575 1 18 . 1 1 32 32 THR CB C 32 70.350 70.350 69.599 0.751 26059 12576 1 18 . 1 1 32 32 THR H H 32 7.770 7.770 8.832 -1.062 26059 12577 1 18 . 1 1 33 33 HIS N N 33 121.900 121.900 120.675 1.225 26059 12578 1 18 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.359 0.141 26059 12579 1 18 . 1 1 33 33 HIS C C 33 173.880 173.880 173.911 -0.031 26059 12580 1 18 . 1 1 33 33 HIS CA C 33 56.780 56.780 56.031 0.749 26059 12581 1 18 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.026 2.614 26059 12582 1 18 . 1 1 33 33 HIS H H 33 9.110 9.110 8.706 0.404 26059 12583 1 18 . 1 1 34 34 ASP N N 34 120.300 120.300 122.544 -2.244 26059 12584 1 18 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.521 -0.121 26059 12585 1 18 . 1 1 34 34 ASP C C 34 175.100 175.100 175.396 -0.296 26059 12586 1 18 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.479 -0.169 26059 12587 1 18 . 1 1 34 34 ASP CB C 34 43.000 43.000 42.667 0.333 26059 12588 1 18 . 1 1 34 34 ASP H H 34 8.810 8.810 8.590 0.220 26059 12589 1 18 . 1 1 35 35 TRP N N 35 119.800 119.800 121.975 -2.175 26059 12590 1 18 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.535 0.195 26059 12591 1 18 . 1 1 35 35 TRP C C 35 174.900 174.900 173.595 1.305 26059 12592 1 18 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.438 0.462 26059 12593 1 18 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.733 1.937 26059 12594 1 18 . 1 1 35 35 TRP H H 35 9.250 9.250 8.936 0.314 26059 12595 1 18 . 1 1 36 36 MET N N 36 120.980 120.980 123.948 -2.968 26059 12596 1 18 . 1 1 36 36 MET HA H 36 5.750 5.750 5.892 -0.142 26059 12597 1 18 . 1 1 36 36 MET C C 36 173.700 173.700 174.814 -1.114 26059 12598 1 18 . 1 1 36 36 MET CA C 36 54.830 54.830 53.842 0.988 26059 12599 1 18 . 1 1 36 36 MET CB C 36 35.220 35.220 35.948 -0.728 26059 12600 1 18 . 1 1 36 36 MET H H 36 9.080 9.080 8.624 0.456 26059 12601 1 18 . 1 1 37 37 VAL N N 37 126.220 126.220 121.988 4.232 26059 12602 1 18 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.159 0.151 26059 12603 1 18 . 1 1 37 37 VAL C C 37 172.300 172.300 174.467 -2.167 26059 12604 1 18 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.576 -1.036 26059 12605 1 18 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.417 1.653 26059 12606 1 18 . 1 1 37 37 VAL H H 37 9.080 9.080 9.050 0.030 26059 12607 1 18 . 1 1 38 38 PHE N N 38 120.640 120.640 118.382 2.258 26059 12608 1 18 . 1 1 38 38 PHE HA H 38 5.970 5.970 5.957 0.013 26059 12609 1 18 . 1 1 38 38 PHE C C 38 172.960 172.960 173.462 -0.502 26059 12610 1 18 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.669 0.461 26059 12611 1 18 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.511 0.489 26059 12612 1 18 . 1 1 38 38 PHE H H 38 8.320 8.320 8.728 -0.408 26059 12613 1 18 . 1 1 39 39 VAL N N 39 116.500 116.500 117.441 -0.941 26059 12614 1 18 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.882 -0.872 26059 12615 1 18 . 1 1 39 39 VAL C C 39 174.700 174.700 174.882 -0.182 26059 12616 1 18 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.011 1.629 26059 12617 1 18 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.287 0.113 26059 12618 1 18 . 1 1 39 39 VAL H H 39 8.580 8.580 9.007 -0.427 26059 12619 1 18 . 1 1 40 40 ARG N N 40 124.100 124.100 122.899 1.201 26059 12620 1 18 . 1 1 40 40 ARG HA H 40 5.080 5.080 4.855 0.225 26059 12621 1 18 . 1 1 40 40 ARG C C 40 173.800 173.800 175.350 -1.550 26059 12622 1 18 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.370 0.930 26059 12623 1 18 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.265 -0.685 26059 12624 1 18 . 1 1 40 40 ARG H H 40 9.880 9.880 8.729 1.151 26059 12625 1 18 . 1 1 41 41 GLY N N 41 107.640 107.640 107.833 -0.193 26059 12626 1 18 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.582 1.388 26059 12627 1 18 . 1 1 41 41 GLY H H 41 8.910 8.910 8.084 0.826 26059 12628 1 18 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.315 0.175 26059 12629 1 18 . 1 1 42 42 PRO C C 42 177.300 177.300 176.246 1.054 26059 12630 1 18 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.543 -1.103 26059 12631 1 18 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.535 0.575 26059 12632 1 18 . 1 1 43 43 GLU N N 43 121.050 121.050 124.450 -3.400 26059 12633 1 18 . 1 1 43 43 GLU HA H 43 3.790 3.790 4.019 -0.229 26059 12634 1 18 . 1 1 43 43 GLU C C 43 176.110 176.110 175.956 0.154 26059 12635 1 18 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.633 0.217 26059 12636 1 18 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.197 0.653 26059 12637 1 18 . 1 1 43 43 GLU H H 43 9.060 9.060 9.047 0.013 26059 12638 1 18 . 1 1 44 44 HIS N N 44 114.100 114.100 113.040 1.060 26059 12639 1 18 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.120 0.231 26059 12640 1 18 . 1 1 44 44 HIS C C 44 175.170 175.170 174.029 1.141 26059 12641 1 18 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.641 0.009 26059 12642 1 18 . 1 1 44 44 HIS CB C 44 28.370 28.370 29.544 -1.175 26059 12643 1 18 . 1 1 44 44 HIS H H 44 8.420 8.420 8.804 -0.384 26059 12644 1 18 . 1 1 45 45 SER N N 45 115.540 115.540 117.462 -1.922 26059 12645 1 18 . 1 1 45 45 SER HA H 45 4.560 4.560 4.306 0.254 26059 12646 1 18 . 1 1 45 45 SER C C 45 173.700 173.700 173.743 -0.043 26059 12647 1 18 . 1 1 45 45 SER CA C 45 58.710 58.710 59.661 -0.951 26059 12648 1 18 . 1 1 45 45 SER CB C 45 64.500 64.500 63.678 0.822 26059 12649 1 18 . 1 1 45 45 SER H H 45 7.870 7.870 7.614 0.256 26059 12650 1 18 . 1 1 46 46 ASN N N 46 123.900 123.900 122.986 0.914 26059 12651 1 18 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.570 0.550 26059 12652 1 18 . 1 1 46 46 ASN C C 46 176.300 176.300 175.957 0.343 26059 12653 1 18 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.332 -0.642 26059 12654 1 18 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.396 -0.666 26059 12655 1 18 . 1 1 46 46 ASN H H 46 9.480 9.480 8.595 0.885 26059 12656 1 18 . 1 1 47 47 ILE N N 47 115.240 115.240 120.116 -4.876 26059 12657 1 18 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.026 -0.086 26059 12658 1 18 . 1 1 47 47 ILE C C 47 176.000 176.000 176.841 -0.841 26059 12659 1 18 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.961 1.239 26059 12660 1 18 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.767 -1.067 26059 12661 1 18 . 1 1 47 47 ILE H H 47 8.170 8.170 8.489 -0.319 26059 12662 1 18 . 1 1 48 48 GLN N N 48 123.200 123.200 120.702 2.498 26059 12663 1 18 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.097 0.183 26059 12664 1 18 . 1 1 48 48 GLN C C 48 175.670 175.670 176.758 -1.088 26059 12665 1 18 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.945 -1.045 26059 12666 1 18 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.484 -0.494 26059 12667 1 18 . 1 1 48 48 GLN H H 48 8.850 8.850 8.550 0.300 26059 12668 1 18 . 1 1 49 49 HIS N N 49 115.400 115.400 116.579 -1.179 26059 12669 1 18 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.343 0.227 26059 12670 1 18 . 1 1 49 49 HIS C C 49 176.380 176.380 176.797 -0.417 26059 12671 1 18 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.258 -0.508 26059 12672 1 18 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.326 1.294 26059 12673 1 18 . 1 1 49 49 HIS H H 49 7.400 7.400 7.961 -0.561 26059 12674 1 18 . 1 1 50 50 PHE N N 50 109.800 109.800 112.716 -2.916 26059 12675 1 18 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.778 0.452 26059 12676 1 18 . 1 1 50 50 PHE C C 50 173.800 173.800 175.160 -1.360 26059 12677 1 18 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.336 -0.676 26059 12678 1 18 . 1 1 50 50 PHE CB C 50 41.000 41.000 39.583 1.417 26059 12679 1 18 . 1 1 50 50 PHE H H 50 7.570 7.570 7.419 0.151 26059 12680 1 18 . 1 1 51 51 VAL N N 51 127.810 127.810 121.047 6.763 26059 12681 1 18 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.757 -0.387 26059 12682 1 18 . 1 1 51 51 VAL C C 51 174.500 174.500 175.230 -0.730 26059 12683 1 18 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.521 0.479 26059 12684 1 18 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.656 0.624 26059 12685 1 18 . 1 1 51 51 VAL H H 51 7.810 7.810 7.968 -0.158 26059 12686 1 18 . 1 1 52 52 GLU N N 52 130.700 130.700 128.087 2.613 26059 12687 1 18 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.355 -0.375 26059 12688 1 18 . 1 1 52 52 GLU C C 52 175.400 175.400 175.464 -0.064 26059 12689 1 18 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.177 0.823 26059 12690 1 18 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.737 -0.157 26059 12691 1 18 . 1 1 52 52 GLU H H 52 9.380 9.380 8.923 0.457 26059 12692 1 18 . 1 1 53 53 LYS N N 53 109.200 109.200 117.483 -8.283 26059 12693 1 18 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.911 -0.111 26059 12694 1 18 . 1 1 53 53 LYS C C 53 172.300 172.300 174.682 -2.382 26059 12695 1 18 . 1 1 53 53 LYS CA C 53 54.840 54.840 55.230 -0.390 26059 12696 1 18 . 1 1 53 53 LYS CB C 53 34.250 34.250 36.298 -2.048 26059 12697 1 18 . 1 1 53 53 LYS H H 53 7.190 7.190 7.760 -0.570 26059 12698 1 18 . 1 1 54 54 VAL N N 54 120.380 120.380 118.751 1.629 26059 12699 1 18 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.884 -0.114 26059 12700 1 18 . 1 1 54 54 VAL C C 54 173.600 173.600 173.852 -0.252 26059 12701 1 18 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.395 0.645 26059 12702 1 18 . 1 1 54 54 VAL CB C 54 34.700 34.700 36.056 -1.356 26059 12703 1 18 . 1 1 54 54 VAL H H 54 8.450 8.450 8.420 0.030 26059 12704 1 18 . 1 1 55 55 VAL N N 55 126.920 126.920 122.385 4.535 26059 12705 1 18 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.185 -0.485 26059 12706 1 18 . 1 1 55 55 VAL C C 55 173.800 173.800 173.367 0.433 26059 12707 1 18 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.421 1.449 26059 12708 1 18 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.734 -1.634 26059 12709 1 18 . 1 1 55 55 VAL H H 55 9.260 9.260 8.813 0.447 26059 12710 1 18 . 1 1 56 56 PHE N N 56 126.130 126.130 127.833 -1.703 26059 12711 1 18 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.862 -0.140 26059 12712 1 18 . 1 1 56 56 PHE C C 56 174.000 174.000 175.027 -1.027 26059 12713 1 18 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.026 0.554 26059 12714 1 18 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.056 0.834 26059 12715 1 18 . 1 1 56 56 PHE H H 56 9.290 9.290 9.268 0.022 26059 12716 1 18 . 1 1 57 57 HIS N N 57 124.180 124.180 125.283 -1.103 26059 12717 1 18 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.847 -0.047 26059 12718 1 18 . 1 1 57 57 HIS C C 57 174.700 174.700 175.138 -0.438 26059 12719 1 18 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.703 -1.383 26059 12720 1 18 . 1 1 57 57 HIS CB C 57 30.100 30.100 27.993 2.107 26059 12721 1 18 . 1 1 57 57 HIS H H 57 8.690 8.690 8.271 0.419 26059 12722 1 18 . 1 1 58 58 LEU N N 58 122.050 122.050 124.694 -2.644 26059 12723 1 18 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.407 -0.097 26059 12724 1 18 . 1 1 58 58 LEU C C 58 174.400 174.400 177.006 -2.606 26059 12725 1 18 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.633 0.777 26059 12726 1 18 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.582 -1.422 26059 12727 1 18 . 1 1 58 58 LEU H H 58 9.050 9.050 8.656 0.394 26059 12728 1 18 . 1 1 59 59 HIS N N 59 118.510 118.510 117.939 0.571 26059 12729 1 18 . 1 1 59 59 HIS C C 59 175.300 175.300 176.687 -1.387 26059 12730 1 18 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.661 3.449 26059 12731 1 18 . 1 1 59 59 HIS CB C 59 30.930 30.930 30.775 0.155 26059 12732 1 18 . 1 1 59 59 HIS H H 59 5.160 5.160 7.891 -2.731 26059 12733 1 18 . 1 1 60 60 GLU N N 60 122.190 122.190 125.034 -2.844 26059 12734 1 18 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.025 -0.065 26059 12735 1 18 . 1 1 60 60 GLU C C 60 175.130 175.130 177.363 -2.233 26059 12736 1 18 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.327 -0.317 26059 12737 1 18 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.668 0.152 26059 12738 1 18 . 1 1 60 60 GLU H H 60 7.960 7.960 8.433 -0.473 26059 12739 1 18 . 1 1 61 61 SER N N 61 116.940 116.940 113.044 3.896 26059 12740 1 18 . 1 1 61 61 SER HA H 61 4.200 4.200 4.324 -0.124 26059 12741 1 18 . 1 1 61 61 SER CA C 61 60.010 60.010 59.682 0.328 26059 12742 1 18 . 1 1 61 61 SER CB C 61 63.140 63.140 63.569 -0.429 26059 12743 1 18 . 1 1 61 61 SER H H 61 8.540 8.540 8.117 0.423 26059 12744 1 18 . 1 1 62 62 PHE N N 62 123.700 123.700 121.878 1.822 26059 12745 1 18 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.797 -0.207 26059 12746 1 18 . 1 1 62 62 PHE CA C 62 57.400 57.400 55.367 2.033 26059 12747 1 18 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.392 -0.991 26059 12748 1 18 . 1 1 62 62 PHE H H 62 8.640 8.640 8.069 0.571 26059 12749 1 18 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.550 -0.140 26059 12750 1 18 . 1 1 63 63 PRO C C 63 176.400 176.400 176.820 -0.420 26059 12751 1 18 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.191 -0.591 26059 12752 1 18 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.606 -0.746 26059 12753 1 18 . 1 1 64 64 ARG N N 64 116.840 116.840 119.220 -2.380 26059 12754 1 18 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.119 -0.019 26059 12755 1 18 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.113 -0.503 26059 12756 1 18 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.626 0.204 26059 12757 1 18 . 1 1 64 64 ARG H H 64 8.890 8.890 8.913 -0.023 26059 12758 1 18 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.369 -0.379 26059 12759 1 18 . 1 1 65 65 PRO C C 65 175.800 175.800 176.810 -1.010 26059 12760 1 18 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.510 1.300 26059 12761 1 18 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.163 -0.283 26059 12762 1 18 . 1 1 66 66 LYS N N 66 119.035 119.035 120.116 -1.081 26059 12763 1 18 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.298 0.312 26059 12764 1 18 . 1 1 66 66 LYS C C 66 175.400 175.400 175.730 -0.330 26059 12765 1 18 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.716 -0.263 26059 12766 1 18 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.933 -1.203 26059 12767 1 18 . 1 1 66 66 LYS H H 66 7.630 7.630 7.960 -0.330 26059 12768 1 18 . 1 1 67 67 ARG N N 67 127.394 127.394 128.302 -0.908 26059 12769 1 18 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.710 0.030 26059 12770 1 18 . 1 1 67 67 ARG C C 67 174.500 174.500 174.999 -0.499 26059 12771 1 18 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.953 -0.153 26059 12772 1 18 . 1 1 67 67 ARG CB C 67 29.714 29.714 30.300 -0.586 26059 12773 1 18 . 1 1 67 67 ARG H H 67 8.855 8.855 8.421 0.434 26059 12774 1 18 . 1 1 68 68 VAL N N 68 124.388 124.388 120.992 3.396 26059 12775 1 18 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.359 -0.779 26059 12776 1 18 . 1 1 68 68 VAL C C 68 176.850 176.850 176.087 0.763 26059 12777 1 18 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.749 1.324 26059 12778 1 18 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.305 0.299 26059 12779 1 18 . 1 1 68 68 VAL H H 68 8.681 8.681 8.426 0.255 26059 12780 1 18 . 1 1 69 69 CYS N N 69 127.080 127.080 128.076 -0.996 26059 12781 1 18 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.859 0.211 26059 12782 1 18 . 1 1 69 69 CYS CA C 69 58.346 58.346 57.192 1.154 26059 12783 1 18 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.226 0.944 26059 12784 1 18 . 1 1 69 69 CYS H H 69 9.455 9.455 9.212 0.243 26059 12785 1 18 . 1 1 70 70 LYS N N 70 125.480 125.480 127.231 -1.751 26059 12786 1 18 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.515 -0.025 26059 12787 1 18 . 1 1 70 70 LYS C C 70 174.300 174.300 176.585 -2.285 26059 12788 1 18 . 1 1 70 70 LYS CA C 70 57.360 57.360 58.119 -0.759 26059 12789 1 18 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.022 0.148 26059 12790 1 18 . 1 1 70 70 LYS H H 70 9.050 9.050 8.644 0.406 26059 12791 1 18 . 1 1 71 71 ASP N N 71 116.940 116.940 119.566 -2.626 26059 12792 1 18 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.932 0.168 26059 12793 1 18 . 1 1 71 71 ASP CA C 71 51.080 51.080 52.370 -1.290 26059 12794 1 18 . 1 1 71 71 ASP CB C 71 43.380 43.380 40.963 2.417 26059 12795 1 18 . 1 1 71 71 ASP H H 71 7.620 7.620 7.852 -0.232 26059 12796 1 18 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.059 -0.799 26059 12797 1 18 . 1 1 72 72 PRO CA C 72 60.650 60.650 63.016 -2.366 26059 12798 1 18 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.611 -0.571 26059 12799 1 18 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.902 0.198 26059 12800 1 18 . 1 1 73 73 PRO C C 73 174.700 174.700 176.413 -1.713 26059 12801 1 18 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.801 -2.111 26059 12802 1 18 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.393 2.647 26059 12803 1 18 . 1 1 74 74 TYR N N 74 125.400 125.400 124.884 0.516 26059 12804 1 18 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.432 0.418 26059 12805 1 18 . 1 1 74 74 TYR C C 74 172.900 172.900 175.486 -2.586 26059 12806 1 18 . 1 1 74 74 TYR CA C 74 55.670 55.670 58.580 -2.910 26059 12807 1 18 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.930 -1.530 26059 12808 1 18 . 1 1 74 74 TYR H H 74 8.960 8.960 8.278 0.682 26059 12809 1 18 . 1 1 75 75 LYS N N 75 121.400 121.400 119.850 1.550 26059 12810 1 18 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.518 0.072 26059 12811 1 18 . 1 1 75 75 LYS C C 75 173.800 173.800 174.777 -0.977 26059 12812 1 18 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.111 0.540 26059 12813 1 18 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.289 -1.399 26059 12814 1 18 . 1 1 75 75 LYS H H 75 7.670 7.670 7.926 -0.256 26059 12815 1 18 . 1 1 76 76 VAL N N 76 119.800 119.800 121.576 -1.776 26059 12816 1 18 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.282 -0.392 26059 12817 1 18 . 1 1 76 76 VAL C C 76 173.900 173.900 174.257 -0.357 26059 12818 1 18 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.694 1.036 26059 12819 1 18 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.511 0.029 26059 12820 1 18 . 1 1 76 76 VAL H H 76 8.180 8.180 8.543 -0.363 26059 12821 1 18 . 1 1 77 77 GLU N N 77 126.190 126.190 126.416 -0.226 26059 12822 1 18 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.127 -0.177 26059 12823 1 18 . 1 1 77 77 GLU C C 77 174.700 174.700 175.368 -0.668 26059 12824 1 18 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.862 0.078 26059 12825 1 18 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.616 -0.066 26059 12826 1 18 . 1 1 77 77 GLU H H 77 8.270 8.270 8.696 -0.426 26059 12827 1 18 . 1 1 78 78 GLU N N 78 126.180 126.180 123.890 2.290 26059 12828 1 18 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.613 -0.163 26059 12829 1 18 . 1 1 78 78 GLU C C 78 175.400 175.400 173.661 1.739 26059 12830 1 18 . 1 1 78 78 GLU CA C 78 54.000 54.000 53.510 0.490 26059 12831 1 18 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.598 3.502 26059 12832 1 18 . 1 1 78 78 GLU H H 78 7.870 7.870 7.916 -0.046 26059 12833 1 18 . 1 1 79 79 SER N N 79 112.109 112.109 114.508 -2.399 26059 12834 1 18 . 1 1 79 79 SER HA H 79 5.560 5.560 5.709 -0.149 26059 12835 1 18 . 1 1 79 79 SER C C 79 172.490 172.490 173.583 -1.093 26059 12836 1 18 . 1 1 79 79 SER CA C 79 57.754 57.754 55.957 1.797 26059 12837 1 18 . 1 1 79 79 SER CB C 79 65.861 65.861 65.710 0.151 26059 12838 1 18 . 1 1 79 79 SER H H 79 7.714 7.714 8.423 -0.709 26059 12839 1 18 . 1 1 80 80 GLY N N 80 106.048 106.048 110.484 -4.436 26059 12840 1 18 . 1 1 80 80 GLY C C 80 172.630 172.630 172.005 0.625 26059 12841 1 18 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.429 0.271 26059 12842 1 18 . 1 1 80 80 GLY H H 80 8.828 8.828 8.594 0.234 26059 12843 1 18 . 1 1 81 81 TYR N N 81 115.280 115.280 115.828 -0.548 26059 12844 1 18 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.318 0.362 26059 12845 1 18 . 1 1 81 81 TYR C C 81 174.100 174.100 174.265 -0.165 26059 12846 1 18 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.237 -1.737 26059 12847 1 18 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.720 0.280 26059 12848 1 18 . 1 1 81 81 TYR H H 81 8.770 8.770 7.932 0.838 26059 12849 1 18 . 1 1 82 82 ALA N N 82 122.350 122.350 123.269 -0.919 26059 12850 1 18 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.513 -0.073 26059 12851 1 18 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.662 -0.622 26059 12852 1 18 . 1 1 82 82 ALA CB C 82 22.400 22.400 20.590 1.810 26059 12853 1 18 . 1 1 82 82 ALA H H 82 7.160 7.160 7.135 0.025 26059 12854 1 18 . 1 1 83 83 GLY N N 83 107.100 107.100 110.001 -2.901 26059 12855 1 18 . 1 1 83 83 GLY C C 83 172.500 172.500 173.595 -1.095 26059 12856 1 18 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.952 -0.342 26059 12857 1 18 . 1 1 83 83 GLY H H 83 8.220 8.220 8.325 -0.105 26059 12858 1 18 . 1 1 84 84 PHE N N 84 111.660 111.660 115.409 -3.749 26059 12859 1 18 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.514 0.176 26059 12860 1 18 . 1 1 84 84 PHE C C 84 172.460 172.460 173.160 -0.700 26059 12861 1 18 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.914 0.586 26059 12862 1 18 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.760 -1.180 26059 12863 1 18 . 1 1 84 84 PHE H H 84 7.700 7.700 8.306 -0.606 26059 12864 1 18 . 1 1 85 85 ILE N N 85 117.810 117.810 121.180 -3.370 26059 12865 1 18 . 1 1 85 85 ILE HA H 85 4.310 4.310 3.991 0.319 26059 12866 1 18 . 1 1 85 85 ILE CA C 85 59.340 59.340 61.181 -1.841 26059 12867 1 18 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.913 -1.653 26059 12868 1 18 . 1 1 85 85 ILE H H 85 8.340 8.340 8.312 0.028 26059 12869 1 18 . 1 1 86 86 LEU N N 86 108.130 108.130 129.137 -21.007 26059 12870 1 18 . 1 1 86 86 LEU HA H 86 4.980 4.980 5.035 -0.055 26059 12871 1 18 . 1 1 86 86 LEU CA C 86 53.200 53.200 51.010 2.191 26059 12872 1 18 . 1 1 86 86 LEU CB C 86 45.300 45.300 45.344 -0.044 26059 12873 1 18 . 1 1 86 86 LEU H H 86 9.900 9.900 8.664 1.236 26059 12874 1 18 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.636 0.464 26059 12875 1 18 . 1 1 87 87 PRO C C 87 175.340 175.340 175.866 -0.526 26059 12876 1 18 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.128 -0.018 26059 12877 1 18 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.267 0.293 26059 12878 1 18 . 1 1 88 88 ILE N N 88 126.000 126.000 126.935 -0.935 26059 12879 1 18 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.523 0.267 26059 12880 1 18 . 1 1 88 88 ILE C C 88 176.100 176.100 175.047 1.053 26059 12881 1 18 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.328 0.232 26059 12882 1 18 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.576 2.424 26059 12883 1 18 . 1 1 88 88 ILE H H 88 9.380 9.380 8.783 0.597 26059 12884 1 18 . 1 1 89 89 GLU N N 89 123.900 123.900 128.014 -4.114 26059 12885 1 18 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.234 -0.034 26059 12886 1 18 . 1 1 89 89 GLU C C 89 173.800 173.800 175.416 -1.616 26059 12887 1 18 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.317 -0.347 26059 12888 1 18 . 1 1 89 89 GLU CB C 89 34.380 34.380 32.059 2.321 26059 12889 1 18 . 1 1 89 89 GLU H H 89 9.320 9.320 8.668 0.652 26059 12890 1 18 . 1 1 90 90 VAL N N 90 123.980 123.980 124.203 -0.223 26059 12891 1 18 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.872 0.288 26059 12892 1 18 . 1 1 90 90 VAL C C 90 174.800 174.800 174.474 0.326 26059 12893 1 18 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.663 -0.273 26059 12894 1 18 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.750 -0.260 26059 12895 1 18 . 1 1 90 90 VAL H H 90 8.630 8.630 8.168 0.462 26059 12896 1 18 . 1 1 91 91 TYR N N 91 124.230 124.230 126.104 -1.874 26059 12897 1 18 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.875 -0.215 26059 12898 1 18 . 1 1 91 91 TYR C C 91 176.800 176.800 175.822 0.978 26059 12899 1 18 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.458 -0.758 26059 12900 1 18 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.986 0.254 26059 12901 1 18 . 1 1 91 91 TYR H H 91 8.640 8.640 8.986 -0.346 26059 12902 1 18 . 1 1 92 92 PHE N N 92 121.200 121.200 120.056 1.144 26059 12903 1 18 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.547 0.113 26059 12904 1 18 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.196 1.314 26059 12905 1 18 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.916 -0.916 26059 12906 1 18 . 1 1 92 92 PHE H H 92 8.750 8.750 9.186 -0.436 26059 12907 1 18 . 1 1 93 93 LYS N N 93 123.450 123.450 121.843 1.607 26059 12908 1 18 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.705 -0.105 26059 12909 1 18 . 1 1 93 93 LYS C C 93 174.200 174.200 175.736 -1.536 26059 12910 1 18 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.525 -0.345 26059 12911 1 18 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.715 -0.035 26059 12912 1 18 . 1 1 93 93 LYS H H 93 8.560 8.560 8.654 -0.094 26059 12913 1 18 . 1 1 94 94 ASN N N 94 118.800 118.800 121.067 -2.267 26059 12914 1 18 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.827 -0.387 26059 12915 1 18 . 1 1 94 94 ASN CA C 94 51.210 51.210 53.023 -1.813 26059 12916 1 18 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.771 -1.971 26059 12917 1 18 . 1 1 94 94 ASN H H 94 7.820 7.820 8.033 -0.213 26059 12918 1 18 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.588 -0.258 26059 12919 1 18 . 1 1 95 95 LYS C C 95 175.800 175.800 175.953 -0.153 26059 12920 1 18 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.182 0.028 26059 12921 1 18 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.842 0.168 26059 12922 1 18 . 1 1 96 96 GLU N N 96 118.330 118.330 121.914 -3.584 26059 12923 1 18 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.435 0.075 26059 12924 1 18 . 1 1 96 96 GLU C C 96 173.200 173.200 175.940 -2.740 26059 12925 1 18 . 1 1 96 96 GLU CA C 96 54.100 54.100 55.030 -0.930 26059 12926 1 18 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.156 1.314 26059 12927 1 18 . 1 1 96 96 GLU H H 96 7.120 7.120 8.119 -0.999 26059 12928 1 18 . 1 1 97 97 GLU N N 97 115.630 115.630 120.285 -4.655 26059 12929 1 18 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.133 0.297 26059 12930 1 18 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.320 -1.460 26059 12931 1 18 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.663 0.607 26059 12932 1 18 . 1 1 97 97 GLU H H 97 8.060 8.060 8.374 -0.314 26059 12933 1 18 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.239 0.761 26059 12934 1 18 . 1 1 98 98 PRO C C 98 175.900 175.900 176.834 -0.934 26059 12935 1 18 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.057 -1.897 26059 12936 1 18 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.834 2.166 26059 12937 1 18 . 1 1 99 99 ARG N N 99 122.800 122.800 120.948 1.852 26059 12938 1 18 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.546 0.084 26059 12939 1 18 . 1 1 99 99 ARG C C 99 175.800 175.800 175.336 0.464 26059 12940 1 18 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.622 0.578 26059 12941 1 18 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.416 -0.006 26059 12942 1 18 . 1 1 99 99 ARG H H 99 8.602 8.602 8.683 -0.081 26059 12943 1 18 . 1 1 100 100 LYS N N 100 113.220 113.220 117.102 -3.882 26059 12944 1 18 . 1 1 100 100 LYS HA H 100 4.940 4.940 5.001 -0.061 26059 12945 1 18 . 1 1 100 100 LYS C C 100 174.100 174.100 174.907 -0.807 26059 12946 1 18 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.855 -0.464 26059 12947 1 18 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.617 -0.897 26059 12948 1 18 . 1 1 100 100 LYS H H 100 7.650 7.650 7.320 0.330 26059 12949 1 18 . 1 1 101 101 VAL N N 101 116.230 116.230 118.332 -2.102 26059 12950 1 18 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.430 -0.160 26059 12951 1 18 . 1 1 101 101 VAL C C 101 171.600 171.600 173.364 -1.764 26059 12952 1 18 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.233 1.027 26059 12953 1 18 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.466 -0.286 26059 12954 1 18 . 1 1 101 101 VAL H H 101 8.120 8.120 8.172 -0.052 26059 12955 1 18 . 1 1 102 102 ARG N N 102 124.980 124.980 124.102 0.878 26059 12956 1 18 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.948 0.212 26059 12957 1 18 . 1 1 102 102 ARG C C 102 174.340 174.340 174.929 -0.589 26059 12958 1 18 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.806 -1.056 26059 12959 1 18 . 1 1 102 102 ARG CB C 102 33.350 33.350 32.062 1.288 26059 12960 1 18 . 1 1 102 102 ARG H H 102 7.930 7.930 8.080 -0.150 26059 12961 1 18 . 1 1 103 103 PHE N N 103 124.590 124.590 125.906 -1.316 26059 12962 1 18 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.738 0.054 26059 12963 1 18 . 1 1 103 103 PHE C C 103 174.280 174.280 174.684 -0.404 26059 12964 1 18 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.625 0.855 26059 12965 1 18 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.731 1.519 26059 12966 1 18 . 1 1 103 103 PHE H H 103 9.390 9.390 9.128 0.262 26059 12967 1 18 . 1 1 104 104 ASP N N 104 124.700 124.700 124.789 -0.089 26059 12968 1 18 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.595 0.204 26059 12969 1 18 . 1 1 104 104 ASP C C 104 174.500 174.500 174.633 -0.133 26059 12970 1 18 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.898 0.492 26059 12971 1 18 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.242 -0.012 26059 12972 1 18 . 1 1 104 104 ASP H H 104 9.010 9.010 9.030 -0.020 26059 12973 1 18 . 1 1 105 105 TYR N N 105 129.840 129.840 124.791 5.049 26059 12974 1 18 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.695 -0.625 26059 12975 1 18 . 1 1 105 105 TYR C C 105 173.100 173.100 173.095 0.005 26059 12976 1 18 . 1 1 105 105 TYR CA C 105 58.680 58.680 57.099 1.581 26059 12977 1 18 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.271 -0.421 26059 12978 1 18 . 1 1 105 105 TYR H H 105 8.140 8.140 8.003 0.137 26059 12979 1 18 . 1 1 106 106 ASP N N 106 126.800 126.800 127.204 -0.404 26059 12980 1 18 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.424 -0.204 26059 12981 1 18 . 1 1 106 106 ASP C C 106 172.900 172.900 174.476 -1.576 26059 12982 1 18 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.321 0.189 26059 12983 1 18 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.424 -1.924 26059 12984 1 18 . 1 1 106 106 ASP H H 106 7.730 7.730 8.318 -0.588 26059 12985 1 18 . 1 1 107 107 LEU N N 107 132.150 132.150 128.229 3.921 26059 12986 1 18 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.396 -0.556 26059 12987 1 18 . 1 1 107 107 LEU C C 107 172.100 172.100 174.705 -2.605 26059 12988 1 18 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.778 -0.578 26059 12989 1 18 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.862 -1.623 26059 12990 1 18 . 1 1 107 107 LEU H H 107 7.770 7.770 7.626 0.144 26059 12991 1 18 . 1 1 108 108 PHE N N 108 118.960 118.960 121.319 -2.359 26059 12992 1 18 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.927 -0.237 26059 12993 1 18 . 1 1 108 108 PHE C C 108 174.300 174.300 173.625 0.675 26059 12994 1 18 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.182 -0.492 26059 12995 1 18 . 1 1 108 108 PHE CB C 108 40.290 40.290 41.122 -0.832 26059 12996 1 18 . 1 1 108 108 PHE H H 108 6.060 6.060 7.119 -1.059 26059 12997 1 18 . 1 1 109 109 LEU N N 109 118.900 118.900 120.202 -1.302 26059 12998 1 18 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.809 -0.409 26059 12999 1 18 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.420 -1.260 26059 13000 1 18 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.380 -2.300 26059 13001 1 18 . 1 1 109 109 LEU H H 109 8.388 8.388 8.287 0.101 26059 13002 1 18 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.309 0.131 26059 13003 1 18 . 1 1 111 111 LEU C C 111 177.300 177.300 176.937 0.363 26059 13004 1 18 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.404 -1.183 26059 13005 1 18 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.500 1.370 26059 13006 1 18 . 1 1 112 112 GLU N N 112 120.660 120.660 124.627 -3.967 26059 13007 1 18 . 1 1 112 112 GLU HA H 112 4.170 4.170 3.969 0.201 26059 13008 1 18 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.353 0.107 26059 13009 1 18 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.797 -0.607 26059 13010 1 18 . 1 1 112 112 GLU H H 112 8.780 8.780 8.803 -0.023 26059 13011 1 18 . 1 1 113 113 GLY C C 113 173.900 173.900 173.360 0.540 26059 13012 1 18 . 1 1 113 113 GLY CA C 113 44.950 44.950 45.121 -0.171 26059 13013 1 18 . 1 1 114 114 HIS N N 114 120.890 120.890 117.876 3.014 26059 13014 1 18 . 1 1 114 114 HIS HA H 114 4.906 4.906 5.123 -0.217 26059 13015 1 18 . 1 1 114 114 HIS CA C 114 54.770 54.770 52.851 1.919 26059 13016 1 18 . 1 1 114 114 HIS CB C 114 30.590 30.590 29.608 0.982 26059 13017 1 18 . 1 1 114 114 HIS H H 114 7.934 7.934 7.515 0.419 26059 13018 1 18 . 1 1 115 115 PRO HA H 115 4.800 4.800 5.111 -0.311 26059 13019 1 18 . 1 1 115 115 PRO CA C 115 62.090 62.090 60.920 1.170 26059 13020 1 18 . 1 1 115 115 PRO CB C 115 30.680 30.680 32.360 -1.680 26059 13021 1 18 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.650 -0.440 26059 13022 1 18 . 1 1 116 116 PRO C C 116 176.600 176.600 175.652 0.948 26059 13023 1 18 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.030 0.270 26059 13024 1 18 . 1 1 117 117 VAL N N 117 127.480 127.480 125.519 1.961 26059 13025 1 18 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.357 -0.567 26059 13026 1 18 . 1 1 117 117 VAL CA C 117 62.700 62.700 62.081 0.619 26059 13027 1 18 . 1 1 117 117 VAL CB C 117 33.200 33.200 33.589 -0.389 26059 13028 1 18 . 1 1 117 117 VAL H H 117 8.890 8.890 7.960 0.930 26059 13029 1 18 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.124 -0.134 26059 13030 1 18 . 1 1 118 118 ASN C C 118 172.700 172.700 173.716 -1.016 26059 13031 1 18 . 1 1 118 118 ASN CA C 118 53.360 53.360 53.112 0.248 26059 13032 1 18 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.115 -0.915 26059 13033 1 18 . 1 1 119 119 HIS N N 119 124.930 124.930 125.874 -0.944 26059 13034 1 18 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.043 -0.223 26059 13035 1 18 . 1 1 119 119 HIS C C 119 173.500 173.500 173.061 0.439 26059 13036 1 18 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.031 1.939 26059 13037 1 18 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.431 0.839 26059 13038 1 18 . 1 1 119 119 HIS H H 119 8.790 8.790 8.517 0.273 26059 13039 1 18 . 1 1 120 120 LEU N N 120 128.280 128.280 124.618 3.662 26059 13040 1 18 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.569 0.381 26059 13041 1 18 . 1 1 120 120 LEU C C 120 174.030 174.030 175.591 -1.561 26059 13042 1 18 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.446 0.554 26059 13043 1 18 . 1 1 120 120 LEU CB C 120 46.600 46.600 45.212 1.388 26059 13044 1 18 . 1 1 120 120 LEU H H 120 7.460 7.460 8.429 -0.969 26059 13045 1 18 . 1 1 121 121 ARG N N 121 128.060 128.060 121.905 6.155 26059 13046 1 18 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.575 0.065 26059 13047 1 18 . 1 1 121 121 ARG C C 121 173.400 173.400 173.548 -0.148 26059 13048 1 18 . 1 1 121 121 ARG CA C 121 54.360 54.360 55.087 -0.727 26059 13049 1 18 . 1 1 121 121 ARG CB C 121 34.260 34.260 33.643 0.617 26059 13050 1 18 . 1 1 121 121 ARG H H 121 9.860 9.860 8.652 1.208 26059 13051 1 18 . 1 1 122 122 CYS N N 122 125.290 125.290 124.549 0.741 26059 13052 1 18 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.374 -0.354 26059 13053 1 18 . 1 1 122 122 CYS C C 122 174.600 174.600 173.679 0.921 26059 13054 1 18 . 1 1 122 122 CYS CA C 122 58.290 58.290 56.919 1.371 26059 13055 1 18 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.649 -1.619 26059 13056 1 18 . 1 1 122 122 CYS H H 122 8.835 8.835 8.643 0.192 26059 13057 1 18 . 1 1 123 123 GLU N N 123 125.920 125.920 127.263 -1.343 26059 13058 1 18 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.544 0.136 26059 13059 1 18 . 1 1 123 123 GLU C C 123 174.500 174.500 174.793 -0.293 26059 13060 1 18 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.658 -0.239 26059 13061 1 18 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.851 -0.268 26059 13062 1 18 . 1 1 123 123 GLU H H 123 8.970 8.970 8.929 0.041 26059 13063 1 18 . 1 1 124 124 LYS N N 124 121.837 121.837 124.882 -3.045 26059 13064 1 18 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.997 -0.037 26059 13065 1 18 . 1 1 124 124 LYS C C 124 175.700 175.700 176.118 -0.418 26059 13066 1 18 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.446 -0.089 26059 13067 1 18 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.717 0.472 26059 13068 1 18 . 1 1 124 124 LYS H H 124 8.652 8.652 8.511 0.141 26059 13069 1 18 . 1 1 125 125 LEU N N 125 127.000 127.000 129.043 -2.043 26059 13070 1 18 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.538 0.112 26059 13071 1 18 . 1 1 125 125 LEU C C 125 175.110 175.110 175.237 -0.127 26059 13072 1 18 . 1 1 125 125 LEU CA C 125 53.854 53.854 53.928 -0.074 26059 13073 1 18 . 1 1 125 125 LEU CB C 125 44.267 44.267 43.148 1.119 26059 13074 1 18 . 1 1 125 125 LEU H H 125 9.175 9.175 9.112 0.063 26059 13075 1 18 . 1 1 126 126 THR N N 126 117.779 117.779 120.348 -2.569 26059 13076 1 18 . 1 1 126 126 THR HA H 126 4.650 4.650 4.717 -0.067 26059 13077 1 18 . 1 1 126 126 THR C C 126 173.200 173.200 173.605 -0.405 26059 13078 1 18 . 1 1 126 126 THR CA C 126 62.036 62.036 61.674 0.362 26059 13079 1 18 . 1 1 126 126 THR CB C 126 70.284 70.284 69.774 0.510 26059 13080 1 18 . 1 1 126 126 THR H H 126 8.331 8.331 8.367 -0.035 26059 13081 1 18 . 1 1 127 127 PHE N N 127 126.576 126.576 127.014 -0.438 26059 13082 1 18 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.743 -0.153 26059 13083 1 18 . 1 1 127 127 PHE C C 127 174.860 174.860 174.283 0.577 26059 13084 1 18 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.596 1.268 26059 13085 1 18 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.156 -1.156 26059 13086 1 18 . 1 1 127 127 PHE H H 127 9.051 9.051 9.056 -0.005 26059 13087 1 18 . 1 1 128 128 ASN N N 128 123.040 123.040 121.890 1.150 26059 13088 1 18 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.725 -0.105 26059 13089 1 18 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.360 1.120 26059 13090 1 18 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.910 0.550 26059 13091 1 18 . 1 1 128 128 ASN H H 128 8.880 8.880 8.848 0.032 26059 13092 1 18 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.554 0.206 26059 13093 1 18 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.786 -0.886 26059 13094 1 18 . 1 1 129 129 ASN CB C 129 38.730 38.730 37.080 1.650 26059 13095 1 18 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.527 0.263 26059 13096 1 18 . 1 1 130 130 PRO C C 130 177.470 177.470 176.604 0.866 26059 13097 1 18 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.384 0.190 26059 13098 1 18 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.672 -0.362 26059 13099 1 18 . 1 1 131 131 THR N N 131 113.400 113.400 110.187 3.213 26059 13100 1 18 . 1 1 131 131 THR HA H 131 4.300 4.300 4.209 0.091 26059 13101 1 18 . 1 1 131 131 THR C C 131 175.200 175.200 176.078 -0.878 26059 13102 1 18 . 1 1 131 131 THR CA C 131 62.200 62.200 62.091 0.109 26059 13103 1 18 . 1 1 131 131 THR CB C 131 70.600 70.600 69.940 0.660 26059 13104 1 18 . 1 1 131 131 THR H H 131 8.950 8.950 8.169 0.781 26059 13105 1 18 . 1 1 132 132 GLU N N 132 122.199 122.199 125.601 -3.402 26059 13106 1 18 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.947 0.063 26059 13107 1 18 . 1 1 132 132 GLU C C 132 178.700 178.700 177.683 1.017 26059 13108 1 18 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.156 0.138 26059 13109 1 18 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.610 -0.449 26059 13110 1 18 . 1 1 132 132 GLU H H 132 8.932 8.932 9.015 -0.083 26059 13111 1 18 . 1 1 133 133 ASP N N 133 116.324 116.324 119.039 -2.715 26059 13112 1 18 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.389 -0.059 26059 13113 1 18 . 1 1 133 133 ASP C C 133 177.800 177.800 178.465 -0.665 26059 13114 1 18 . 1 1 133 133 ASP CA C 133 57.360 57.360 57.388 -0.028 26059 13115 1 18 . 1 1 133 133 ASP CB C 133 41.823 41.823 40.422 1.401 26059 13116 1 18 . 1 1 133 133 ASP H H 133 8.490 8.490 8.279 0.211 26059 13117 1 18 . 1 1 134 134 PHE N N 134 119.914 119.914 121.447 -1.533 26059 13118 1 18 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.219 0.391 26059 13119 1 18 . 1 1 134 134 PHE C C 134 177.300 177.300 176.847 0.453 26059 13120 1 18 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.472 -0.934 26059 13121 1 18 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.318 -0.118 26059 13122 1 18 . 1 1 134 134 PHE H H 134 7.787 7.787 8.042 -0.255 26059 13123 1 18 . 1 1 135 135 ARG N N 135 119.794 119.794 120.507 -0.713 26059 13124 1 18 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.786 -0.436 26059 13125 1 18 . 1 1 135 135 ARG C C 135 177.370 177.370 178.131 -0.761 26059 13126 1 18 . 1 1 135 135 ARG CA C 135 60.376 60.376 59.977 0.399 26059 13127 1 18 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.052 0.344 26059 13128 1 18 . 1 1 135 135 ARG H H 135 9.087 9.087 8.544 0.543 26059 13129 1 18 . 1 1 136 136 ARG N N 136 114.554 114.554 118.687 -4.133 26059 13130 1 18 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.987 -0.167 26059 13131 1 18 . 1 1 136 136 ARG C C 136 178.950 178.950 178.370 0.580 26059 13132 1 18 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.858 -0.558 26059 13133 1 18 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.012 0.205 26059 13134 1 18 . 1 1 136 136 ARG H H 136 7.747 7.747 8.256 -0.509 26059 13135 1 18 . 1 1 137 137 LYS N N 137 118.298 118.298 118.188 0.110 26059 13136 1 18 . 1 1 137 137 LYS HA H 137 3.900 3.900 3.989 -0.089 26059 13137 1 18 . 1 1 137 137 LYS C C 137 177.980 177.980 178.677 -0.697 26059 13138 1 18 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.238 1.157 26059 13139 1 18 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.108 0.338 26059 13140 1 18 . 1 1 137 137 LYS H H 137 7.154 7.154 7.224 -0.070 26059 13141 1 18 . 1 1 138 138 LEU N N 138 117.159 117.159 118.694 -1.535 26059 13142 1 18 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.813 -0.393 26059 13143 1 18 . 1 1 138 138 LEU C C 138 179.100 179.100 178.482 0.618 26059 13144 1 18 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.089 0.142 26059 13145 1 18 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.602 0.726 26059 13146 1 18 . 1 1 138 138 LEU H H 138 7.709 7.709 7.735 -0.026 26059 13147 1 18 . 1 1 139 139 LEU N N 139 115.158 115.158 116.535 -1.377 26059 13148 1 18 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.208 -0.058 26059 13149 1 18 . 1 1 139 139 LEU C C 139 177.600 177.600 178.289 -0.689 26059 13150 1 18 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.237 -0.708 26059 13151 1 18 . 1 1 139 139 LEU CB C 139 41.744 41.744 42.060 -0.316 26059 13152 1 18 . 1 1 139 139 LEU H H 139 7.507 7.507 8.079 -0.572 26059 13153 1 18 . 1 1 140 140 LYS N N 140 120.256 120.256 119.479 0.777 26059 13154 1 18 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.104 0.006 26059 13155 1 18 . 1 1 140 140 LYS C C 140 175.800 175.800 176.900 -1.100 26059 13156 1 18 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.054 -0.002 26059 13157 1 18 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.837 -0.192 26059 13158 1 18 . 1 1 140 140 LYS H H 140 7.304 7.304 7.580 -0.277 26059 13159 1 19 . 1 1 4 4 MET C C 4 175.800 175.800 176.282 -0.482 26059 13160 1 19 . 1 1 4 4 MET CA C 4 55.350 55.350 55.567 -0.217 26059 13161 1 19 . 1 1 4 4 MET CB C 4 32.880 32.880 31.861 1.019 26059 13162 1 19 . 1 1 5 5 ALA N N 5 125.230 125.230 121.265 3.965 26059 13163 1 19 . 1 1 5 5 ALA HA H 5 4.350 4.350 3.948 0.402 26059 13164 1 19 . 1 1 5 5 ALA CA C 5 52.430 52.430 53.270 -0.840 26059 13165 1 19 . 1 1 5 5 ALA CB C 5 19.370 19.370 18.092 1.278 26059 13166 1 19 . 1 1 5 5 ALA H H 5 8.320 8.320 8.233 0.087 26059 13167 1 19 . 1 1 6 6 SER HA H 6 4.490 4.490 4.524 -0.034 26059 13168 1 19 . 1 1 6 6 SER CA C 6 58.200 58.200 57.446 0.754 26059 13169 1 19 . 1 1 6 6 SER CB C 6 63.700 63.700 63.486 0.214 26059 13170 1 19 . 1 1 7 7 SER HA H 7 4.530 4.530 4.610 -0.080 26059 13171 1 19 . 1 1 7 7 SER CA C 7 58.200 58.200 58.920 -0.720 26059 13172 1 19 . 1 1 7 7 SER CB C 7 63.700 63.700 63.076 0.624 26059 13173 1 19 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.588 0.022 26059 13174 1 19 . 1 1 8 8 CYS C C 8 173.500 173.500 173.886 -0.386 26059 13175 1 19 . 1 1 8 8 CYS CA C 8 58.340 58.340 57.439 0.901 26059 13176 1 19 . 1 1 8 8 CYS CB C 8 28.490 28.490 27.476 1.014 26059 13177 1 19 . 1 1 9 9 ALA N N 9 124.700 124.700 129.927 -5.227 26059 13178 1 19 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.184 -0.394 26059 13179 1 19 . 1 1 9 9 ALA C C 9 177.400 177.400 176.849 0.551 26059 13180 1 19 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.862 1.208 26059 13181 1 19 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.262 0.367 26059 13182 1 19 . 1 1 9 9 ALA H H 9 7.960 7.960 8.440 -0.480 26059 13183 1 19 . 1 1 10 10 VAL N N 10 120.124 120.124 123.973 -3.849 26059 13184 1 19 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.261 0.029 26059 13185 1 19 . 1 1 10 10 VAL C C 10 173.900 173.900 174.984 -1.084 26059 13186 1 19 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.185 0.365 26059 13187 1 19 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.324 1.576 26059 13188 1 19 . 1 1 10 10 VAL H H 10 8.424 8.424 8.425 -0.001 26059 13189 1 19 . 1 1 11 11 GLN N N 11 125.818 125.818 124.251 1.567 26059 13190 1 19 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.352 0.208 26059 13191 1 19 . 1 1 11 11 GLN C C 11 175.400 175.400 175.308 0.092 26059 13192 1 19 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.356 -0.233 26059 13193 1 19 . 1 1 11 11 GLN CB C 11 32.029 32.029 31.441 0.588 26059 13194 1 19 . 1 1 11 11 GLN H H 11 8.636 8.636 8.386 0.250 26059 13195 1 19 . 1 1 12 12 VAL N N 12 119.106 119.106 117.648 1.458 26059 13196 1 19 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.412 0.218 26059 13197 1 19 . 1 1 12 12 VAL C C 12 173.800 173.800 174.505 -0.705 26059 13198 1 19 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.425 0.376 26059 13199 1 19 . 1 1 12 12 VAL CB C 12 35.711 35.711 34.223 1.488 26059 13200 1 19 . 1 1 12 12 VAL H H 12 8.827 8.827 8.643 0.184 26059 13201 1 19 . 1 1 13 13 LYS N N 13 121.700 121.700 121.193 0.507 26059 13202 1 19 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.374 -0.174 26059 13203 1 19 . 1 1 13 13 LYS C C 13 175.030 175.030 175.458 -0.428 26059 13204 1 19 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.297 0.133 26059 13205 1 19 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.431 0.488 26059 13206 1 19 . 1 1 13 13 LYS H H 13 8.234 8.234 8.382 -0.148 26059 13207 1 19 . 1 1 14 14 LEU N N 14 119.100 119.100 123.673 -4.573 26059 13208 1 19 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.400 -0.450 26059 13209 1 19 . 1 1 14 14 LEU C C 14 175.110 175.110 175.505 -0.395 26059 13210 1 19 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.115 0.242 26059 13211 1 19 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.745 1.175 26059 13212 1 19 . 1 1 14 14 LEU H H 14 8.840 8.840 9.153 -0.313 26059 13213 1 19 . 1 1 15 15 GLU N N 15 120.978 120.978 123.110 -2.132 26059 13214 1 19 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.464 -0.474 26059 13215 1 19 . 1 1 15 15 GLU C C 15 173.800 173.800 175.108 -1.308 26059 13216 1 19 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.295 1.133 26059 13217 1 19 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.536 -0.710 26059 13218 1 19 . 1 1 15 15 GLU H H 15 9.181 9.181 9.045 0.136 26059 13219 1 19 . 1 1 16 16 LEU N N 16 124.438 124.438 127.806 -3.368 26059 13220 1 19 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.151 -0.041 26059 13221 1 19 . 1 1 16 16 LEU C C 16 174.700 174.700 176.158 -1.458 26059 13222 1 19 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.671 0.405 26059 13223 1 19 . 1 1 16 16 LEU CB C 16 44.892 44.892 40.345 4.547 26059 13224 1 19 . 1 1 16 16 LEU H H 16 8.891 8.891 8.521 0.370 26059 13225 1 19 . 1 1 17 17 GLY N N 17 108.067 108.067 111.180 -3.113 26059 13226 1 19 . 1 1 17 17 GLY C C 17 170.350 170.350 171.604 -1.254 26059 13227 1 19 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.490 2.494 26059 13228 1 19 . 1 1 17 17 GLY H H 17 7.227 7.227 9.003 -1.776 26059 13229 1 19 . 1 1 18 18 HIS N N 18 111.200 111.200 116.479 -5.279 26059 13230 1 19 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.087 0.533 26059 13231 1 19 . 1 1 18 18 HIS C C 18 172.400 172.400 172.634 -0.234 26059 13232 1 19 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.869 0.071 26059 13233 1 19 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.440 1.720 26059 13234 1 19 . 1 1 18 18 HIS H H 18 8.150 8.150 8.757 -0.607 26059 13235 1 19 . 1 1 19 19 ARG N N 19 117.800 117.800 120.783 -2.983 26059 13236 1 19 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.380 -0.280 26059 13237 1 19 . 1 1 19 19 ARG C C 19 175.800 175.800 174.728 1.072 26059 13238 1 19 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.099 -0.598 26059 13239 1 19 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.235 0.415 26059 13240 1 19 . 1 1 19 19 ARG H H 19 9.010 9.010 8.804 0.206 26059 13241 1 19 . 1 1 20 20 ALA N N 20 120.390 120.390 124.833 -4.443 26059 13242 1 19 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.329 0.211 26059 13243 1 19 . 1 1 20 20 ALA C C 20 175.800 175.800 175.553 0.247 26059 13244 1 19 . 1 1 20 20 ALA CA C 20 51.590 51.590 51.013 0.577 26059 13245 1 19 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.200 1.550 26059 13246 1 19 . 1 1 20 20 ALA H H 20 8.070 8.070 8.900 -0.830 26059 13247 1 19 . 1 1 21 21 GLN N N 21 121.790 121.790 123.947 -2.157 26059 13248 1 19 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.214 0.016 26059 13249 1 19 . 1 1 21 21 GLN CA C 21 54.330 54.330 54.025 0.305 26059 13250 1 19 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.383 0.517 26059 13251 1 19 . 1 1 21 21 GLN H H 21 9.240 9.240 9.092 0.148 26059 13252 1 19 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.466 -0.836 26059 13253 1 19 . 1 1 22 22 VAL C C 22 176.500 176.500 175.666 0.834 26059 13254 1 19 . 1 1 22 22 VAL CA C 22 63.030 63.030 59.942 3.088 26059 13255 1 19 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.171 -2.571 26059 13256 1 19 . 1 1 23 23 ARG N N 23 127.840 127.840 124.105 3.735 26059 13257 1 19 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.654 -0.524 26059 13258 1 19 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.899 1.301 26059 13259 1 19 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.251 0.899 26059 13260 1 19 . 1 1 23 23 ARG H H 23 8.720 8.720 8.760 -0.040 26059 13261 1 19 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.167 -0.127 26059 13262 1 19 . 1 1 24 24 LYS C C 24 176.960 176.960 176.917 0.043 26059 13263 1 19 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.874 0.926 26059 13264 1 19 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.923 -0.863 26059 13265 1 19 . 1 1 25 25 LYS N N 25 115.870 115.870 119.588 -3.718 26059 13266 1 19 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.706 0.124 26059 13267 1 19 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.128 -0.168 26059 13268 1 19 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.433 1.647 26059 13269 1 19 . 1 1 25 25 LYS H H 25 7.720 7.720 7.687 0.033 26059 13270 1 19 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.440 0.390 26059 13271 1 19 . 1 1 26 26 PRO C C 26 177.400 177.400 176.883 0.517 26059 13272 1 19 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.237 -0.587 26059 13273 1 19 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.201 0.189 26059 13274 1 19 . 1 1 27 27 THR N N 27 111.270 111.270 115.022 -3.752 26059 13275 1 19 . 1 1 27 27 THR HA H 27 4.530 4.530 4.218 0.312 26059 13276 1 19 . 1 1 27 27 THR C C 27 177.300 177.300 177.092 0.208 26059 13277 1 19 . 1 1 27 27 THR CA C 27 61.300 61.300 61.807 -0.507 26059 13278 1 19 . 1 1 27 27 THR CB C 27 71.460 71.460 69.914 1.546 26059 13279 1 19 . 1 1 27 27 THR H H 27 8.380 8.380 8.542 -0.162 26059 13280 1 19 . 1 1 28 28 VAL N N 28 121.170 121.170 119.442 1.728 26059 13281 1 19 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.855 0.028 26059 13282 1 19 . 1 1 28 28 VAL C C 28 177.030 177.030 176.099 0.931 26059 13283 1 19 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.748 0.452 26059 13284 1 19 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.414 -0.014 26059 13285 1 19 . 1 1 28 28 VAL H H 28 8.910 8.910 8.389 0.521 26059 13286 1 19 . 1 1 29 29 GLU N N 29 116.800 116.800 119.372 -2.572 26059 13287 1 19 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.181 -0.261 26059 13288 1 19 . 1 1 29 29 GLU C C 29 176.200 176.200 175.612 0.588 26059 13289 1 19 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.349 1.901 26059 13290 1 19 . 1 1 29 29 GLU CB C 29 28.170 28.170 29.474 -1.304 26059 13291 1 19 . 1 1 29 29 GLU H H 29 7.990 7.990 8.202 -0.212 26059 13292 1 19 . 1 1 30 30 GLY N N 30 105.500 105.500 106.969 -1.469 26059 13293 1 19 . 1 1 30 30 GLY C C 30 174.900 174.900 173.747 1.153 26059 13294 1 19 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.014 -0.554 26059 13295 1 19 . 1 1 30 30 GLY H H 30 7.950 7.950 7.637 0.313 26059 13296 1 19 . 1 1 31 31 PHE N N 31 119.300 119.300 118.522 0.778 26059 13297 1 19 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.915 -0.155 26059 13298 1 19 . 1 1 31 31 PHE C C 31 176.400 176.400 176.342 0.058 26059 13299 1 19 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.787 1.113 26059 13300 1 19 . 1 1 31 31 PHE CB C 31 35.500 35.500 40.391 -4.891 26059 13301 1 19 . 1 1 31 31 PHE H H 31 7.520 7.520 7.366 0.154 26059 13302 1 19 . 1 1 32 32 THR N N 32 112.300 112.300 115.433 -3.133 26059 13303 1 19 . 1 1 32 32 THR HA H 32 4.330 4.330 4.395 -0.065 26059 13304 1 19 . 1 1 32 32 THR C C 32 175.200 175.200 174.304 0.896 26059 13305 1 19 . 1 1 32 32 THR CA C 32 62.780 62.780 62.938 -0.158 26059 13306 1 19 . 1 1 32 32 THR CB C 32 70.350 70.350 69.640 0.710 26059 13307 1 19 . 1 1 32 32 THR H H 32 7.770 7.770 8.832 -1.062 26059 13308 1 19 . 1 1 33 33 HIS N N 33 121.900 121.900 120.593 1.307 26059 13309 1 19 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.425 0.075 26059 13310 1 19 . 1 1 33 33 HIS C C 33 173.880 173.880 173.719 0.161 26059 13311 1 19 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.886 0.894 26059 13312 1 19 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.697 1.943 26059 13313 1 19 . 1 1 33 33 HIS H H 33 9.110 9.110 8.312 0.798 26059 13314 1 19 . 1 1 34 34 ASP N N 34 120.300 120.300 122.506 -2.206 26059 13315 1 19 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.579 -0.179 26059 13316 1 19 . 1 1 34 34 ASP C C 34 175.100 175.100 174.939 0.161 26059 13317 1 19 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.727 -0.417 26059 13318 1 19 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.919 -0.919 26059 13319 1 19 . 1 1 34 34 ASP H H 34 8.810 8.810 9.006 -0.196 26059 13320 1 19 . 1 1 35 35 TRP N N 35 119.800 119.800 122.075 -2.275 26059 13321 1 19 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.703 0.027 26059 13322 1 19 . 1 1 35 35 TRP C C 35 174.900 174.900 173.499 1.401 26059 13323 1 19 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.394 0.506 26059 13324 1 19 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.899 1.771 26059 13325 1 19 . 1 1 35 35 TRP H H 35 9.250 9.250 8.970 0.280 26059 13326 1 19 . 1 1 36 36 MET N N 36 120.980 120.980 123.223 -2.243 26059 13327 1 19 . 1 1 36 36 MET HA H 36 5.750 5.750 5.887 -0.137 26059 13328 1 19 . 1 1 36 36 MET C C 36 173.700 173.700 174.717 -1.017 26059 13329 1 19 . 1 1 36 36 MET CA C 36 54.830 54.830 53.855 0.975 26059 13330 1 19 . 1 1 36 36 MET CB C 36 35.220 35.220 36.059 -0.839 26059 13331 1 19 . 1 1 36 36 MET H H 36 9.080 9.080 8.999 0.081 26059 13332 1 19 . 1 1 37 37 VAL N N 37 126.220 126.220 122.276 3.944 26059 13333 1 19 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.148 0.162 26059 13334 1 19 . 1 1 37 37 VAL C C 37 172.300 172.300 174.510 -2.210 26059 13335 1 19 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.694 -1.154 26059 13336 1 19 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.190 1.880 26059 13337 1 19 . 1 1 37 37 VAL H H 37 9.080 9.080 8.985 0.095 26059 13338 1 19 . 1 1 38 38 PHE N N 38 120.640 120.640 118.890 1.750 26059 13339 1 19 . 1 1 38 38 PHE HA H 38 5.970 5.970 5.950 0.020 26059 13340 1 19 . 1 1 38 38 PHE C C 38 172.960 172.960 173.533 -0.573 26059 13341 1 19 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.439 0.691 26059 13342 1 19 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.528 0.472 26059 13343 1 19 . 1 1 38 38 PHE H H 38 8.320 8.320 8.877 -0.557 26059 13344 1 19 . 1 1 39 39 VAL N N 39 116.500 116.500 117.542 -1.042 26059 13345 1 19 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.923 -0.913 26059 13346 1 19 . 1 1 39 39 VAL C C 39 174.700 174.700 174.911 -0.211 26059 13347 1 19 . 1 1 39 39 VAL CA C 39 61.640 61.640 59.932 1.708 26059 13348 1 19 . 1 1 39 39 VAL CB C 39 35.400 35.400 34.966 0.434 26059 13349 1 19 . 1 1 39 39 VAL H H 39 8.580 8.580 8.826 -0.246 26059 13350 1 19 . 1 1 40 40 ARG N N 40 124.100 124.100 124.308 -0.208 26059 13351 1 19 . 1 1 40 40 ARG HA H 40 5.080 5.080 4.693 0.387 26059 13352 1 19 . 1 1 40 40 ARG C C 40 173.800 173.800 175.138 -1.338 26059 13353 1 19 . 1 1 40 40 ARG CA C 40 54.300 54.300 54.194 0.106 26059 13354 1 19 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.140 -0.560 26059 13355 1 19 . 1 1 40 40 ARG H H 40 9.880 9.880 8.643 1.237 26059 13356 1 19 . 1 1 41 41 GLY N N 41 107.640 107.640 107.720 -0.080 26059 13357 1 19 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.890 1.080 26059 13358 1 19 . 1 1 41 41 GLY H H 41 8.910 8.910 8.027 0.883 26059 13359 1 19 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.355 0.135 26059 13360 1 19 . 1 1 42 42 PRO C C 42 177.300 177.300 176.022 1.278 26059 13361 1 19 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.452 -1.012 26059 13362 1 19 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.327 0.783 26059 13363 1 19 . 1 1 43 43 GLU N N 43 121.050 121.050 122.021 -0.971 26059 13364 1 19 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.969 -0.179 26059 13365 1 19 . 1 1 43 43 GLU C C 43 176.110 176.110 175.551 0.559 26059 13366 1 19 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.883 -0.033 26059 13367 1 19 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.012 0.839 26059 13368 1 19 . 1 1 43 43 GLU H H 43 9.060 9.060 8.961 0.099 26059 13369 1 19 . 1 1 44 44 HIS N N 44 114.100 114.100 113.884 0.216 26059 13370 1 19 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.117 0.234 26059 13371 1 19 . 1 1 44 44 HIS C C 44 175.170 175.170 174.221 0.949 26059 13372 1 19 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.549 0.101 26059 13373 1 19 . 1 1 44 44 HIS CB C 44 28.370 28.370 29.384 -1.014 26059 13374 1 19 . 1 1 44 44 HIS H H 44 8.420 8.420 8.421 -0.001 26059 13375 1 19 . 1 1 45 45 SER N N 45 115.540 115.540 116.705 -1.165 26059 13376 1 19 . 1 1 45 45 SER HA H 45 4.560 4.560 4.324 0.236 26059 13377 1 19 . 1 1 45 45 SER C C 45 173.700 173.700 173.980 -0.280 26059 13378 1 19 . 1 1 45 45 SER CA C 45 58.710 58.710 60.092 -1.382 26059 13379 1 19 . 1 1 45 45 SER CB C 45 64.500 64.500 63.833 0.667 26059 13380 1 19 . 1 1 45 45 SER H H 45 7.870 7.870 7.454 0.416 26059 13381 1 19 . 1 1 46 46 ASN N N 46 123.900 123.900 123.064 0.836 26059 13382 1 19 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.533 0.587 26059 13383 1 19 . 1 1 46 46 ASN C C 46 176.300 176.300 175.798 0.502 26059 13384 1 19 . 1 1 46 46 ASN CA C 46 52.690 52.690 54.045 -1.355 26059 13385 1 19 . 1 1 46 46 ASN CB C 46 38.730 38.730 38.958 -0.228 26059 13386 1 19 . 1 1 46 46 ASN H H 46 9.480 9.480 8.787 0.693 26059 13387 1 19 . 1 1 47 47 ILE N N 47 115.240 115.240 118.468 -3.228 26059 13388 1 19 . 1 1 47 47 ILE HA H 47 3.940 3.940 3.978 -0.038 26059 13389 1 19 . 1 1 47 47 ILE C C 47 176.000 176.000 176.749 -0.749 26059 13390 1 19 . 1 1 47 47 ILE CA C 47 63.200 63.200 62.072 1.128 26059 13391 1 19 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.550 -0.850 26059 13392 1 19 . 1 1 47 47 ILE H H 47 8.170 8.170 8.310 -0.140 26059 13393 1 19 . 1 1 48 48 GLN N N 48 123.200 123.200 120.346 2.854 26059 13394 1 19 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.245 0.035 26059 13395 1 19 . 1 1 48 48 GLN C C 48 175.670 175.670 177.080 -1.410 26059 13396 1 19 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.200 -0.300 26059 13397 1 19 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.497 -0.507 26059 13398 1 19 . 1 1 48 48 GLN H H 48 8.850 8.850 8.482 0.368 26059 13399 1 19 . 1 1 49 49 HIS N N 49 115.400 115.400 118.298 -2.898 26059 13400 1 19 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.383 0.187 26059 13401 1 19 . 1 1 49 49 HIS C C 49 176.380 176.380 176.784 -0.404 26059 13402 1 19 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.450 -0.700 26059 13403 1 19 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.444 1.176 26059 13404 1 19 . 1 1 49 49 HIS H H 49 7.400 7.400 7.832 -0.432 26059 13405 1 19 . 1 1 50 50 PHE N N 50 109.800 109.800 113.745 -3.945 26059 13406 1 19 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.827 0.403 26059 13407 1 19 . 1 1 50 50 PHE C C 50 173.800 173.800 174.699 -0.899 26059 13408 1 19 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.114 -0.454 26059 13409 1 19 . 1 1 50 50 PHE CB C 50 41.000 41.000 39.760 1.240 26059 13410 1 19 . 1 1 50 50 PHE H H 50 7.570 7.570 7.755 -0.185 26059 13411 1 19 . 1 1 51 51 VAL N N 51 127.810 127.810 121.250 6.560 26059 13412 1 19 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.738 -0.368 26059 13413 1 19 . 1 1 51 51 VAL C C 51 174.500 174.500 175.552 -1.052 26059 13414 1 19 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.814 0.186 26059 13415 1 19 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.739 0.541 26059 13416 1 19 . 1 1 51 51 VAL H H 51 7.810 7.810 8.135 -0.325 26059 13417 1 19 . 1 1 52 52 GLU N N 52 130.700 130.700 129.225 1.475 26059 13418 1 19 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.488 -0.508 26059 13419 1 19 . 1 1 52 52 GLU C C 52 175.400 175.400 175.786 -0.386 26059 13420 1 19 . 1 1 52 52 GLU CA C 52 58.000 58.000 56.990 1.010 26059 13421 1 19 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.792 -0.212 26059 13422 1 19 . 1 1 52 52 GLU H H 52 9.380 9.380 9.245 0.135 26059 13423 1 19 . 1 1 53 53 LYS N N 53 109.200 109.200 116.986 -7.786 26059 13424 1 19 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.921 -0.121 26059 13425 1 19 . 1 1 53 53 LYS C C 53 172.300 172.300 175.153 -2.853 26059 13426 1 19 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.890 -0.050 26059 13427 1 19 . 1 1 53 53 LYS CB C 53 34.250 34.250 36.802 -2.552 26059 13428 1 19 . 1 1 53 53 LYS H H 53 7.190 7.190 7.437 -0.247 26059 13429 1 19 . 1 1 54 54 VAL N N 54 120.380 120.380 118.189 2.191 26059 13430 1 19 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.784 -0.014 26059 13431 1 19 . 1 1 54 54 VAL C C 54 173.600 173.600 173.866 -0.266 26059 13432 1 19 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.318 0.722 26059 13433 1 19 . 1 1 54 54 VAL CB C 54 34.700 34.700 36.131 -1.431 26059 13434 1 19 . 1 1 54 54 VAL H H 54 8.450 8.450 8.433 0.017 26059 13435 1 19 . 1 1 55 55 VAL N N 55 126.920 126.920 121.811 5.109 26059 13436 1 19 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.001 -0.301 26059 13437 1 19 . 1 1 55 55 VAL C C 55 173.800 173.800 173.292 0.508 26059 13438 1 19 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.682 1.188 26059 13439 1 19 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.418 -1.318 26059 13440 1 19 . 1 1 55 55 VAL H H 55 9.260 9.260 8.642 0.618 26059 13441 1 19 . 1 1 56 56 PHE N N 56 126.130 126.130 128.148 -2.018 26059 13442 1 19 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.856 -0.134 26059 13443 1 19 . 1 1 56 56 PHE C C 56 174.000 174.000 175.144 -1.144 26059 13444 1 19 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.073 0.507 26059 13445 1 19 . 1 1 56 56 PHE CB C 56 40.890 40.890 39.878 1.012 26059 13446 1 19 . 1 1 56 56 PHE H H 56 9.290 9.290 8.702 0.588 26059 13447 1 19 . 1 1 57 57 HIS N N 57 124.180 124.180 125.341 -1.161 26059 13448 1 19 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.798 0.002 26059 13449 1 19 . 1 1 57 57 HIS C C 57 174.700 174.700 175.117 -0.417 26059 13450 1 19 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.746 -1.426 26059 13451 1 19 . 1 1 57 57 HIS CB C 57 30.100 30.100 27.877 2.223 26059 13452 1 19 . 1 1 57 57 HIS H H 57 8.690 8.690 8.320 0.370 26059 13453 1 19 . 1 1 58 58 LEU N N 58 122.050 122.050 123.955 -1.905 26059 13454 1 19 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.474 -0.164 26059 13455 1 19 . 1 1 58 58 LEU C C 58 174.400 174.400 177.024 -2.624 26059 13456 1 19 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.660 0.750 26059 13457 1 19 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.659 -1.499 26059 13458 1 19 . 1 1 58 58 LEU H H 58 9.050 9.050 8.619 0.431 26059 13459 1 19 . 1 1 59 59 HIS N N 59 118.510 118.510 118.648 -0.138 26059 13460 1 19 . 1 1 59 59 HIS C C 59 175.300 175.300 176.917 -1.617 26059 13461 1 19 . 1 1 59 59 HIS CA C 59 59.110 59.110 56.048 3.062 26059 13462 1 19 . 1 1 59 59 HIS CB C 59 30.930 30.930 30.943 -0.013 26059 13463 1 19 . 1 1 59 59 HIS H H 59 5.160 5.160 7.859 -2.699 26059 13464 1 19 . 1 1 60 60 GLU N N 60 122.190 122.190 125.537 -3.347 26059 13465 1 19 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.101 -0.141 26059 13466 1 19 . 1 1 60 60 GLU C C 60 175.130 175.130 177.176 -2.046 26059 13467 1 19 . 1 1 60 60 GLU CA C 60 59.010 59.010 58.876 0.134 26059 13468 1 19 . 1 1 60 60 GLU CB C 60 28.820 28.820 29.119 -0.299 26059 13469 1 19 . 1 1 60 60 GLU H H 60 7.960 7.960 8.621 -0.661 26059 13470 1 19 . 1 1 61 61 SER N N 61 116.940 116.940 113.974 2.966 26059 13471 1 19 . 1 1 61 61 SER HA H 61 4.200 4.200 4.296 -0.096 26059 13472 1 19 . 1 1 61 61 SER CA C 61 60.010 60.010 60.456 -0.446 26059 13473 1 19 . 1 1 61 61 SER CB C 61 63.140 63.140 63.616 -0.476 26059 13474 1 19 . 1 1 61 61 SER H H 61 8.540 8.540 7.793 0.747 26059 13475 1 19 . 1 1 62 62 PHE N N 62 123.700 123.700 122.799 0.901 26059 13476 1 19 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.748 -0.158 26059 13477 1 19 . 1 1 62 62 PHE CA C 62 57.400 57.400 55.957 1.443 26059 13478 1 19 . 1 1 62 62 PHE CB C 62 38.400 38.400 38.898 -0.498 26059 13479 1 19 . 1 1 62 62 PHE H H 62 8.640 8.640 8.201 0.439 26059 13480 1 19 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.444 -0.034 26059 13481 1 19 . 1 1 63 63 PRO C C 63 176.400 176.400 176.225 0.175 26059 13482 1 19 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.459 -0.859 26059 13483 1 19 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.101 -0.241 26059 13484 1 19 . 1 1 64 64 ARG N N 64 116.840 116.840 120.976 -4.136 26059 13485 1 19 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.139 -0.039 26059 13486 1 19 . 1 1 64 64 ARG CA C 64 55.610 55.610 55.889 -0.279 26059 13487 1 19 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.574 0.256 26059 13488 1 19 . 1 1 64 64 ARG H H 64 8.890 8.890 8.606 0.284 26059 13489 1 19 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.402 -0.412 26059 13490 1 19 . 1 1 65 65 PRO C C 65 175.800 175.800 176.912 -1.112 26059 13491 1 19 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.374 1.436 26059 13492 1 19 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.294 -0.413 26059 13493 1 19 . 1 1 66 66 LYS N N 66 119.035 119.035 120.410 -1.375 26059 13494 1 19 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.387 0.223 26059 13495 1 19 . 1 1 66 66 LYS C C 66 175.400 175.400 175.841 -0.441 26059 13496 1 19 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.817 -0.364 26059 13497 1 19 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.635 -0.905 26059 13498 1 19 . 1 1 66 66 LYS H H 66 7.630 7.630 8.038 -0.408 26059 13499 1 19 . 1 1 67 67 ARG N N 67 127.394 127.394 128.921 -1.527 26059 13500 1 19 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.661 0.079 26059 13501 1 19 . 1 1 67 67 ARG C C 67 174.500 174.500 175.237 -0.737 26059 13502 1 19 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.745 0.055 26059 13503 1 19 . 1 1 67 67 ARG CB C 67 29.714 29.714 28.918 0.797 26059 13504 1 19 . 1 1 67 67 ARG H H 67 8.855 8.855 8.571 0.284 26059 13505 1 19 . 1 1 68 68 VAL N N 68 124.388 124.388 120.805 3.583 26059 13506 1 19 . 1 1 68 68 VAL HA H 68 4.580 4.580 4.833 -0.253 26059 13507 1 19 . 1 1 68 68 VAL C C 68 176.850 176.850 176.200 0.650 26059 13508 1 19 . 1 1 68 68 VAL CA C 68 62.073 62.073 61.681 0.392 26059 13509 1 19 . 1 1 68 68 VAL CB C 68 33.604 33.604 32.133 1.471 26059 13510 1 19 . 1 1 68 68 VAL H H 68 8.681 8.681 7.900 0.781 26059 13511 1 19 . 1 1 69 69 CYS N N 69 127.080 127.080 127.947 -0.867 26059 13512 1 19 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.827 0.243 26059 13513 1 19 . 1 1 69 69 CYS CA C 69 58.346 58.346 58.191 0.155 26059 13514 1 19 . 1 1 69 69 CYS CB C 69 30.170 30.170 28.746 1.424 26059 13515 1 19 . 1 1 69 69 CYS H H 69 9.455 9.455 9.279 0.176 26059 13516 1 19 . 1 1 70 70 LYS N N 70 125.480 125.480 124.058 1.422 26059 13517 1 19 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.497 -0.007 26059 13518 1 19 . 1 1 70 70 LYS C C 70 174.300 174.300 176.505 -2.205 26059 13519 1 19 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.725 -0.365 26059 13520 1 19 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.159 0.011 26059 13521 1 19 . 1 1 70 70 LYS H H 70 9.050 9.050 8.564 0.486 26059 13522 1 19 . 1 1 71 71 ASP N N 71 116.940 116.940 120.792 -3.852 26059 13523 1 19 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.820 0.280 26059 13524 1 19 . 1 1 71 71 ASP CA C 71 51.080 51.080 52.497 -1.417 26059 13525 1 19 . 1 1 71 71 ASP CB C 71 43.380 43.380 41.426 1.954 26059 13526 1 19 . 1 1 71 71 ASP H H 71 7.620 7.620 7.979 -0.359 26059 13527 1 19 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.179 -0.919 26059 13528 1 19 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.671 -2.021 26059 13529 1 19 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.642 -0.602 26059 13530 1 19 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.874 0.226 26059 13531 1 19 . 1 1 73 73 PRO C C 73 174.700 174.700 176.250 -1.550 26059 13532 1 19 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.849 -2.159 26059 13533 1 19 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.346 2.694 26059 13534 1 19 . 1 1 74 74 TYR N N 74 125.400 125.400 124.697 0.703 26059 13535 1 19 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.381 0.469 26059 13536 1 19 . 1 1 74 74 TYR C C 74 172.900 172.900 175.666 -2.766 26059 13537 1 19 . 1 1 74 74 TYR CA C 74 55.670 55.670 59.331 -3.661 26059 13538 1 19 . 1 1 74 74 TYR CB C 74 35.400 35.400 37.355 -1.956 26059 13539 1 19 . 1 1 74 74 TYR H H 74 8.960 8.960 8.181 0.779 26059 13540 1 19 . 1 1 75 75 LYS N N 75 121.400 121.400 119.715 1.685 26059 13541 1 19 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.507 0.083 26059 13542 1 19 . 1 1 75 75 LYS C C 75 173.800 173.800 174.609 -0.809 26059 13543 1 19 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.342 0.309 26059 13544 1 19 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.303 -1.413 26059 13545 1 19 . 1 1 75 75 LYS H H 75 7.670 7.670 7.997 -0.327 26059 13546 1 19 . 1 1 76 76 VAL N N 76 119.800 119.800 121.871 -2.071 26059 13547 1 19 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.283 -0.393 26059 13548 1 19 . 1 1 76 76 VAL C C 76 173.900 173.900 174.283 -0.383 26059 13549 1 19 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.540 1.190 26059 13550 1 19 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.493 0.047 26059 13551 1 19 . 1 1 76 76 VAL H H 76 8.180 8.180 8.627 -0.447 26059 13552 1 19 . 1 1 77 77 GLU N N 77 126.190 126.190 126.330 -0.140 26059 13553 1 19 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.103 -0.153 26059 13554 1 19 . 1 1 77 77 GLU C C 77 174.700 174.700 175.109 -0.409 26059 13555 1 19 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.852 0.088 26059 13556 1 19 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.500 0.050 26059 13557 1 19 . 1 1 77 77 GLU H H 77 8.270 8.270 8.659 -0.389 26059 13558 1 19 . 1 1 78 78 GLU N N 78 126.180 126.180 123.039 3.141 26059 13559 1 19 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.513 -0.063 26059 13560 1 19 . 1 1 78 78 GLU C C 78 175.400 175.400 174.114 1.286 26059 13561 1 19 . 1 1 78 78 GLU CA C 78 54.000 54.000 53.714 0.286 26059 13562 1 19 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.787 3.313 26059 13563 1 19 . 1 1 78 78 GLU H H 78 7.870 7.870 8.079 -0.209 26059 13564 1 19 . 1 1 79 79 SER N N 79 112.109 112.109 115.592 -3.483 26059 13565 1 19 . 1 1 79 79 SER HA H 79 5.560 5.560 5.610 -0.050 26059 13566 1 19 . 1 1 79 79 SER C C 79 172.490 172.490 174.177 -1.687 26059 13567 1 19 . 1 1 79 79 SER CA C 79 57.754 57.754 57.017 0.737 26059 13568 1 19 . 1 1 79 79 SER CB C 79 65.861 65.861 66.018 -0.157 26059 13569 1 19 . 1 1 79 79 SER H H 79 7.714 7.714 8.407 -0.693 26059 13570 1 19 . 1 1 80 80 GLY N N 80 106.048 106.048 108.403 -2.355 26059 13571 1 19 . 1 1 80 80 GLY C C 80 172.630 172.630 172.205 0.425 26059 13572 1 19 . 1 1 80 80 GLY CA C 80 45.700 45.700 44.764 0.936 26059 13573 1 19 . 1 1 80 80 GLY H H 80 8.828 8.828 8.886 -0.058 26059 13574 1 19 . 1 1 81 81 TYR N N 81 115.280 115.280 115.597 -0.317 26059 13575 1 19 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.235 0.445 26059 13576 1 19 . 1 1 81 81 TYR C C 81 174.100 174.100 174.123 -0.023 26059 13577 1 19 . 1 1 81 81 TYR CA C 81 55.500 55.500 56.604 -1.104 26059 13578 1 19 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.045 0.955 26059 13579 1 19 . 1 1 81 81 TYR H H 81 8.770 8.770 7.912 0.858 26059 13580 1 19 . 1 1 82 82 ALA N N 82 122.350 122.350 121.820 0.530 26059 13581 1 19 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.422 0.018 26059 13582 1 19 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.701 -0.661 26059 13583 1 19 . 1 1 82 82 ALA CB C 82 22.400 22.400 20.692 1.708 26059 13584 1 19 . 1 1 82 82 ALA H H 82 7.160 7.160 7.075 0.085 26059 13585 1 19 . 1 1 83 83 GLY N N 83 107.100 107.100 108.458 -1.358 26059 13586 1 19 . 1 1 83 83 GLY C C 83 172.500 172.500 173.774 -1.274 26059 13587 1 19 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.718 -0.108 26059 13588 1 19 . 1 1 83 83 GLY H H 83 8.220 8.220 8.314 -0.094 26059 13589 1 19 . 1 1 84 84 PHE N N 84 111.660 111.660 114.741 -3.081 26059 13590 1 19 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.513 0.177 26059 13591 1 19 . 1 1 84 84 PHE C C 84 172.460 172.460 173.145 -0.685 26059 13592 1 19 . 1 1 84 84 PHE CA C 84 56.500 56.500 56.003 0.497 26059 13593 1 19 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.600 -1.020 26059 13594 1 19 . 1 1 84 84 PHE H H 84 7.700 7.700 8.117 -0.417 26059 13595 1 19 . 1 1 85 85 ILE N N 85 117.810 117.810 121.189 -3.379 26059 13596 1 19 . 1 1 85 85 ILE HA H 85 4.310 4.310 3.877 0.433 26059 13597 1 19 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.991 -1.651 26059 13598 1 19 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.874 -1.614 26059 13599 1 19 . 1 1 85 85 ILE H H 85 8.340 8.340 8.277 0.063 26059 13600 1 19 . 1 1 86 86 LEU N N 86 108.130 108.130 128.714 -20.584 26059 13601 1 19 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.940 0.040 26059 13602 1 19 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.838 2.362 26059 13603 1 19 . 1 1 86 86 LEU CB C 86 45.300 45.300 45.045 0.255 26059 13604 1 19 . 1 1 86 86 LEU H H 86 9.900 9.900 8.610 1.290 26059 13605 1 19 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.624 0.476 26059 13606 1 19 . 1 1 87 87 PRO C C 87 175.340 175.340 175.855 -0.515 26059 13607 1 19 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.109 0.001 26059 13608 1 19 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.122 0.438 26059 13609 1 19 . 1 1 88 88 ILE N N 88 126.000 126.000 127.113 -1.113 26059 13610 1 19 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.544 0.246 26059 13611 1 19 . 1 1 88 88 ILE C C 88 176.100 176.100 175.050 1.050 26059 13612 1 19 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.398 0.162 26059 13613 1 19 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.463 2.537 26059 13614 1 19 . 1 1 88 88 ILE H H 88 9.380 9.380 8.804 0.576 26059 13615 1 19 . 1 1 89 89 GLU N N 89 123.900 123.900 128.012 -4.112 26059 13616 1 19 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.265 -0.065 26059 13617 1 19 . 1 1 89 89 GLU C C 89 173.800 173.800 175.433 -1.633 26059 13618 1 19 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.227 -0.257 26059 13619 1 19 . 1 1 89 89 GLU CB C 89 34.380 34.380 32.105 2.275 26059 13620 1 19 . 1 1 89 89 GLU H H 89 9.320 9.320 8.632 0.688 26059 13621 1 19 . 1 1 90 90 VAL N N 90 123.980 123.980 124.237 -0.257 26059 13622 1 19 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.831 0.329 26059 13623 1 19 . 1 1 90 90 VAL C C 90 174.800 174.800 174.421 0.379 26059 13624 1 19 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.721 -0.331 26059 13625 1 19 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.867 -0.376 26059 13626 1 19 . 1 1 90 90 VAL H H 90 8.630 8.630 8.077 0.553 26059 13627 1 19 . 1 1 91 91 TYR N N 91 124.230 124.230 126.252 -2.022 26059 13628 1 19 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.928 -0.268 26059 13629 1 19 . 1 1 91 91 TYR C C 91 176.800 176.800 175.788 1.012 26059 13630 1 19 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.337 -0.637 26059 13631 1 19 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.482 0.758 26059 13632 1 19 . 1 1 91 91 TYR H H 91 8.640 8.640 8.922 -0.282 26059 13633 1 19 . 1 1 92 92 PHE N N 92 121.200 121.200 122.074 -0.874 26059 13634 1 19 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.447 0.213 26059 13635 1 19 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.181 1.329 26059 13636 1 19 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.863 -0.863 26059 13637 1 19 . 1 1 92 92 PHE H H 92 8.750 8.750 9.112 -0.362 26059 13638 1 19 . 1 1 93 93 LYS N N 93 123.450 123.450 122.636 0.814 26059 13639 1 19 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.691 -0.091 26059 13640 1 19 . 1 1 93 93 LYS C C 93 174.200 174.200 175.419 -1.219 26059 13641 1 19 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.503 -0.323 26059 13642 1 19 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.616 0.065 26059 13643 1 19 . 1 1 93 93 LYS H H 93 8.560 8.560 9.082 -0.522 26059 13644 1 19 . 1 1 94 94 ASN N N 94 118.800 118.800 123.671 -4.871 26059 13645 1 19 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.893 -0.453 26059 13646 1 19 . 1 1 94 94 ASN CA C 94 51.210 51.210 53.079 -1.869 26059 13647 1 19 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.802 -2.002 26059 13648 1 19 . 1 1 94 94 ASN H H 94 7.820 7.820 8.164 -0.344 26059 13649 1 19 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.542 -0.212 26059 13650 1 19 . 1 1 95 95 LYS C C 95 175.800 175.800 175.970 -0.170 26059 13651 1 19 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.212 -0.002 26059 13652 1 19 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.666 0.344 26059 13653 1 19 . 1 1 96 96 GLU N N 96 118.330 118.330 121.991 -3.661 26059 13654 1 19 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.441 0.069 26059 13655 1 19 . 1 1 96 96 GLU C C 96 173.200 173.200 175.982 -2.782 26059 13656 1 19 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.854 -0.754 26059 13657 1 19 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.013 1.457 26059 13658 1 19 . 1 1 96 96 GLU H H 96 7.120 7.120 8.070 -0.950 26059 13659 1 19 . 1 1 97 97 GLU N N 97 115.630 115.630 120.220 -4.590 26059 13660 1 19 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.107 0.323 26059 13661 1 19 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.462 -1.602 26059 13662 1 19 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.544 0.726 26059 13663 1 19 . 1 1 97 97 GLU H H 97 8.060 8.060 8.316 -0.256 26059 13664 1 19 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.247 0.753 26059 13665 1 19 . 1 1 98 98 PRO C C 98 175.900 175.900 176.954 -1.054 26059 13666 1 19 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.044 -1.885 26059 13667 1 19 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.842 2.158 26059 13668 1 19 . 1 1 99 99 ARG N N 99 122.800 122.800 120.859 1.941 26059 13669 1 19 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.432 0.198 26059 13670 1 19 . 1 1 99 99 ARG C C 99 175.800 175.800 175.687 0.113 26059 13671 1 19 . 1 1 99 99 ARG CA C 99 56.200 56.200 56.007 0.193 26059 13672 1 19 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.299 0.111 26059 13673 1 19 . 1 1 99 99 ARG H H 99 8.602 8.602 8.695 -0.093 26059 13674 1 19 . 1 1 100 100 LYS N N 100 113.220 113.220 116.090 -2.870 26059 13675 1 19 . 1 1 100 100 LYS HA H 100 4.940 4.940 5.054 -0.114 26059 13676 1 19 . 1 1 100 100 LYS C C 100 174.100 174.100 174.697 -0.597 26059 13677 1 19 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.924 -0.533 26059 13678 1 19 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.718 -0.997 26059 13679 1 19 . 1 1 100 100 LYS H H 100 7.650 7.650 7.291 0.359 26059 13680 1 19 . 1 1 101 101 VAL N N 101 116.230 116.230 117.356 -1.126 26059 13681 1 19 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.416 -0.146 26059 13682 1 19 . 1 1 101 101 VAL C C 101 171.600 171.600 173.352 -1.752 26059 13683 1 19 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.196 1.064 26059 13684 1 19 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.516 -0.336 26059 13685 1 19 . 1 1 101 101 VAL H H 101 8.120 8.120 8.146 -0.026 26059 13686 1 19 . 1 1 102 102 ARG N N 102 124.980 124.980 124.151 0.829 26059 13687 1 19 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.872 0.288 26059 13688 1 19 . 1 1 102 102 ARG C C 102 174.340 174.340 174.936 -0.596 26059 13689 1 19 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.826 -1.076 26059 13690 1 19 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.917 1.433 26059 13691 1 19 . 1 1 102 102 ARG H H 102 7.930 7.930 8.064 -0.134 26059 13692 1 19 . 1 1 103 103 PHE N N 103 124.590 124.590 126.838 -2.248 26059 13693 1 19 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.758 0.034 26059 13694 1 19 . 1 1 103 103 PHE C C 103 174.280 174.280 174.881 -0.601 26059 13695 1 19 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.439 1.041 26059 13696 1 19 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.636 1.614 26059 13697 1 19 . 1 1 103 103 PHE H H 103 9.390 9.390 9.098 0.292 26059 13698 1 19 . 1 1 104 104 ASP N N 104 124.700 124.700 125.015 -0.315 26059 13699 1 19 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.588 0.211 26059 13700 1 19 . 1 1 104 104 ASP C C 104 174.500 174.500 174.562 -0.062 26059 13701 1 19 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.829 0.561 26059 13702 1 19 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.387 -0.157 26059 13703 1 19 . 1 1 104 104 ASP H H 104 9.010 9.010 8.999 0.011 26059 13704 1 19 . 1 1 105 105 TYR N N 105 129.840 129.840 124.873 4.967 26059 13705 1 19 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.694 -0.624 26059 13706 1 19 . 1 1 105 105 TYR C C 105 173.100 173.100 173.229 -0.129 26059 13707 1 19 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.862 1.818 26059 13708 1 19 . 1 1 105 105 TYR CB C 105 41.850 41.850 41.912 -0.062 26059 13709 1 19 . 1 1 105 105 TYR H H 105 8.140 8.140 8.105 0.035 26059 13710 1 19 . 1 1 106 106 ASP N N 106 126.800 126.800 128.132 -1.332 26059 13711 1 19 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.424 -0.204 26059 13712 1 19 . 1 1 106 106 ASP C C 106 172.900 172.900 174.770 -1.870 26059 13713 1 19 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.567 -0.057 26059 13714 1 19 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.248 -1.748 26059 13715 1 19 . 1 1 106 106 ASP H H 106 7.730 7.730 8.576 -0.846 26059 13716 1 19 . 1 1 107 107 LEU N N 107 132.150 132.150 128.569 3.581 26059 13717 1 19 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.443 -0.603 26059 13718 1 19 . 1 1 107 107 LEU C C 107 172.100 172.100 174.925 -2.825 26059 13719 1 19 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.740 -0.540 26059 13720 1 19 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.428 -1.188 26059 13721 1 19 . 1 1 107 107 LEU H H 107 7.770 7.770 7.635 0.135 26059 13722 1 19 . 1 1 108 108 PHE N N 108 118.960 118.960 122.017 -3.057 26059 13723 1 19 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.842 -0.152 26059 13724 1 19 . 1 1 108 108 PHE C C 108 174.300 174.300 173.823 0.477 26059 13725 1 19 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.861 -1.171 26059 13726 1 19 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.513 -0.223 26059 13727 1 19 . 1 1 108 108 PHE H H 108 6.060 6.060 7.376 -1.316 26059 13728 1 19 . 1 1 109 109 LEU N N 109 118.900 118.900 120.981 -2.081 26059 13729 1 19 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.633 -0.233 26059 13730 1 19 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.161 -1.001 26059 13731 1 19 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.423 -2.343 26059 13732 1 19 . 1 1 109 109 LEU H H 109 8.388 8.388 8.205 0.183 26059 13733 1 19 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.538 -0.098 26059 13734 1 19 . 1 1 111 111 LEU C C 111 177.300 177.300 177.275 0.025 26059 13735 1 19 . 1 1 111 111 LEU CA C 111 54.220 54.220 54.799 -0.579 26059 13736 1 19 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.681 1.189 26059 13737 1 19 . 1 1 112 112 GLU N N 112 120.660 120.660 123.919 -3.259 26059 13738 1 19 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.096 0.074 26059 13739 1 19 . 1 1 112 112 GLU CA C 112 58.460 58.460 57.786 0.674 26059 13740 1 19 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.164 0.026 26059 13741 1 19 . 1 1 112 112 GLU H H 112 8.780 8.780 8.802 -0.022 26059 13742 1 19 . 1 1 113 113 GLY C C 113 173.900 173.900 173.600 0.300 26059 13743 1 19 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.914 0.036 26059 13744 1 19 . 1 1 114 114 HIS N N 114 120.890 120.890 120.013 0.877 26059 13745 1 19 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.912 -0.006 26059 13746 1 19 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.617 1.153 26059 13747 1 19 . 1 1 114 114 HIS CB C 114 30.590 30.590 32.970 -2.380 26059 13748 1 19 . 1 1 114 114 HIS H H 114 7.934 7.934 8.032 -0.098 26059 13749 1 19 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.175 0.625 26059 13750 1 19 . 1 1 115 115 PRO CA C 115 62.090 62.090 62.382 -0.292 26059 13751 1 19 . 1 1 115 115 PRO CB C 115 30.680 30.680 31.141 -0.461 26059 13752 1 19 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.065 0.145 26059 13753 1 19 . 1 1 116 116 PRO C C 116 176.600 176.600 176.360 0.240 26059 13754 1 19 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.579 -0.279 26059 13755 1 19 . 1 1 117 117 VAL N N 117 127.480 127.480 119.735 7.745 26059 13756 1 19 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.346 -0.556 26059 13757 1 19 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.890 0.810 26059 13758 1 19 . 1 1 117 117 VAL CB C 117 33.200 33.200 34.615 -1.415 26059 13759 1 19 . 1 1 117 117 VAL H H 117 8.890 8.890 8.493 0.397 26059 13760 1 19 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.146 -0.156 26059 13761 1 19 . 1 1 118 118 ASN C C 118 172.700 172.700 173.685 -0.985 26059 13762 1 19 . 1 1 118 118 ASN CA C 118 53.360 53.360 53.003 0.357 26059 13763 1 19 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.020 -0.820 26059 13764 1 19 . 1 1 119 119 HIS N N 119 124.930 124.930 125.830 -0.900 26059 13765 1 19 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.080 -0.260 26059 13766 1 19 . 1 1 119 119 HIS C C 119 173.500 173.500 173.065 0.435 26059 13767 1 19 . 1 1 119 119 HIS CA C 119 56.970 56.970 54.970 2.000 26059 13768 1 19 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.750 0.520 26059 13769 1 19 . 1 1 119 119 HIS H H 119 8.790 8.790 8.581 0.209 26059 13770 1 19 . 1 1 120 120 LEU N N 120 128.280 128.280 123.790 4.490 26059 13771 1 19 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.600 0.350 26059 13772 1 19 . 1 1 120 120 LEU C C 120 174.030 174.030 175.287 -1.257 26059 13773 1 19 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.554 0.446 26059 13774 1 19 . 1 1 120 120 LEU CB C 120 46.600 46.600 44.816 1.784 26059 13775 1 19 . 1 1 120 120 LEU H H 120 7.460 7.460 8.420 -0.960 26059 13776 1 19 . 1 1 121 121 ARG N N 121 128.060 128.060 121.849 6.211 26059 13777 1 19 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.443 0.197 26059 13778 1 19 . 1 1 121 121 ARG C C 121 173.400 173.400 173.781 -0.381 26059 13779 1 19 . 1 1 121 121 ARG CA C 121 54.360 54.360 55.100 -0.740 26059 13780 1 19 . 1 1 121 121 ARG CB C 121 34.260 34.260 33.424 0.836 26059 13781 1 19 . 1 1 121 121 ARG H H 121 9.860 9.860 8.390 1.470 26059 13782 1 19 . 1 1 122 122 CYS N N 122 125.290 125.290 125.845 -0.555 26059 13783 1 19 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.129 -0.109 26059 13784 1 19 . 1 1 122 122 CYS C C 122 174.600 174.600 174.137 0.463 26059 13785 1 19 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.634 0.656 26059 13786 1 19 . 1 1 122 122 CYS CB C 122 28.030 28.030 28.903 -0.873 26059 13787 1 19 . 1 1 122 122 CYS H H 122 8.835 8.835 8.754 0.081 26059 13788 1 19 . 1 1 123 123 GLU N N 123 125.920 125.920 125.541 0.379 26059 13789 1 19 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.444 0.236 26059 13790 1 19 . 1 1 123 123 GLU C C 123 174.500 174.500 174.780 -0.280 26059 13791 1 19 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.621 -0.201 26059 13792 1 19 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.154 0.429 26059 13793 1 19 . 1 1 123 123 GLU H H 123 8.970 8.970 8.989 -0.019 26059 13794 1 19 . 1 1 124 124 LYS N N 124 121.837 121.837 125.975 -4.138 26059 13795 1 19 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.903 0.057 26059 13796 1 19 . 1 1 124 124 LYS C C 124 175.700 175.700 176.171 -0.471 26059 13797 1 19 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.261 0.096 26059 13798 1 19 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.541 0.648 26059 13799 1 19 . 1 1 124 124 LYS H H 124 8.652 8.652 8.540 0.112 26059 13800 1 19 . 1 1 125 125 LEU N N 125 127.000 127.000 129.658 -2.658 26059 13801 1 19 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.418 0.232 26059 13802 1 19 . 1 1 125 125 LEU C C 125 175.110 175.110 175.520 -0.410 26059 13803 1 19 . 1 1 125 125 LEU CA C 125 53.854 53.854 54.315 -0.461 26059 13804 1 19 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.615 1.652 26059 13805 1 19 . 1 1 125 125 LEU H H 125 9.175 9.175 9.087 0.088 26059 13806 1 19 . 1 1 126 126 THR N N 126 117.779 117.779 120.519 -2.740 26059 13807 1 19 . 1 1 126 126 THR HA H 126 4.650 4.650 4.423 0.227 26059 13808 1 19 . 1 1 126 126 THR C C 126 173.200 173.200 173.439 -0.239 26059 13809 1 19 . 1 1 126 126 THR CA C 126 62.036 62.036 61.887 0.149 26059 13810 1 19 . 1 1 126 126 THR CB C 126 70.284 70.284 69.602 0.682 26059 13811 1 19 . 1 1 126 126 THR H H 126 8.331 8.331 8.364 -0.033 26059 13812 1 19 . 1 1 127 127 PHE N N 127 126.576 126.576 126.892 -0.316 26059 13813 1 19 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.743 -0.153 26059 13814 1 19 . 1 1 127 127 PHE C C 127 174.860 174.860 174.100 0.760 26059 13815 1 19 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.620 1.244 26059 13816 1 19 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.258 -1.258 26059 13817 1 19 . 1 1 127 127 PHE H H 127 9.051 9.051 8.954 0.097 26059 13818 1 19 . 1 1 128 128 ASN N N 128 123.040 123.040 121.831 1.209 26059 13819 1 19 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.655 -0.035 26059 13820 1 19 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.330 1.150 26059 13821 1 19 . 1 1 128 128 ASN CB C 128 39.460 39.460 39.058 0.402 26059 13822 1 19 . 1 1 128 128 ASN H H 128 8.880 8.880 8.793 0.087 26059 13823 1 19 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.608 0.152 26059 13824 1 19 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.107 -0.207 26059 13825 1 19 . 1 1 129 129 ASN CB C 129 38.730 38.730 38.333 0.397 26059 13826 1 19 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.478 0.312 26059 13827 1 19 . 1 1 130 130 PRO C C 130 177.470 177.470 176.478 0.992 26059 13828 1 19 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.487 0.087 26059 13829 1 19 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.418 -0.108 26059 13830 1 19 . 1 1 131 131 THR N N 131 113.400 113.400 112.070 1.330 26059 13831 1 19 . 1 1 131 131 THR HA H 131 4.300 4.300 4.171 0.129 26059 13832 1 19 . 1 1 131 131 THR C C 131 175.200 175.200 175.862 -0.662 26059 13833 1 19 . 1 1 131 131 THR CA C 131 62.200 62.200 62.632 -0.432 26059 13834 1 19 . 1 1 131 131 THR CB C 131 70.600 70.600 70.026 0.574 26059 13835 1 19 . 1 1 131 131 THR H H 131 8.950 8.950 8.104 0.846 26059 13836 1 19 . 1 1 132 132 GLU N N 132 122.199 122.199 125.573 -3.374 26059 13837 1 19 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.961 0.049 26059 13838 1 19 . 1 1 132 132 GLU C C 132 178.700 178.700 178.266 0.434 26059 13839 1 19 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.151 0.143 26059 13840 1 19 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.630 -0.469 26059 13841 1 19 . 1 1 132 132 GLU H H 132 8.932 8.932 9.138 -0.206 26059 13842 1 19 . 1 1 133 133 ASP N N 133 116.324 116.324 118.910 -2.586 26059 13843 1 19 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.389 -0.059 26059 13844 1 19 . 1 1 133 133 ASP C C 133 177.800 177.800 178.248 -0.448 26059 13845 1 19 . 1 1 133 133 ASP CA C 133 57.360 57.360 57.533 -0.173 26059 13846 1 19 . 1 1 133 133 ASP CB C 133 41.823 41.823 40.262 1.561 26059 13847 1 19 . 1 1 133 133 ASP H H 133 8.490 8.490 8.686 -0.196 26059 13848 1 19 . 1 1 134 134 PHE N N 134 119.914 119.914 120.901 -0.987 26059 13849 1 19 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.154 0.456 26059 13850 1 19 . 1 1 134 134 PHE C C 134 177.300 177.300 176.925 0.375 26059 13851 1 19 . 1 1 134 134 PHE CA C 134 59.538 59.538 61.066 -1.528 26059 13852 1 19 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.362 -0.162 26059 13853 1 19 . 1 1 134 134 PHE H H 134 7.787 7.787 7.989 -0.202 26059 13854 1 19 . 1 1 135 135 ARG N N 135 119.794 119.794 120.452 -0.658 26059 13855 1 19 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.799 -0.449 26059 13856 1 19 . 1 1 135 135 ARG C C 135 177.370 177.370 178.102 -0.732 26059 13857 1 19 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.046 0.330 26059 13858 1 19 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.035 0.361 26059 13859 1 19 . 1 1 135 135 ARG H H 135 9.087 9.087 8.573 0.514 26059 13860 1 19 . 1 1 136 136 ARG N N 136 114.554 114.554 118.986 -4.432 26059 13861 1 19 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.983 -0.163 26059 13862 1 19 . 1 1 136 136 ARG C C 136 178.950 178.950 178.699 0.251 26059 13863 1 19 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.437 -0.137 26059 13864 1 19 . 1 1 136 136 ARG CB C 136 30.217 30.217 29.953 0.264 26059 13865 1 19 . 1 1 136 136 ARG H H 136 7.747 7.747 8.349 -0.602 26059 13866 1 19 . 1 1 137 137 LYS N N 137 118.298 118.298 118.408 -0.110 26059 13867 1 19 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.026 -0.126 26059 13868 1 19 . 1 1 137 137 LYS C C 137 177.980 177.980 178.796 -0.816 26059 13869 1 19 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.135 1.260 26059 13870 1 19 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.239 0.208 26059 13871 1 19 . 1 1 137 137 LYS H H 137 7.154 7.154 7.409 -0.255 26059 13872 1 19 . 1 1 138 138 LEU N N 138 117.159 117.159 118.852 -1.693 26059 13873 1 19 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.876 -0.456 26059 13874 1 19 . 1 1 138 138 LEU C C 138 179.100 179.100 178.515 0.585 26059 13875 1 19 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.089 0.142 26059 13876 1 19 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.701 0.627 26059 13877 1 19 . 1 1 138 138 LEU H H 138 7.709 7.709 7.830 -0.121 26059 13878 1 19 . 1 1 139 139 LEU N N 139 115.158 115.158 116.314 -1.156 26059 13879 1 19 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.197 -0.047 26059 13880 1 19 . 1 1 139 139 LEU C C 139 177.600 177.600 178.431 -0.831 26059 13881 1 19 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.373 -0.844 26059 13882 1 19 . 1 1 139 139 LEU CB C 139 41.744 41.744 42.078 -0.334 26059 13883 1 19 . 1 1 139 139 LEU H H 139 7.507 7.507 8.119 -0.612 26059 13884 1 19 . 1 1 140 140 LYS N N 140 120.256 120.256 119.526 0.730 26059 13885 1 19 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.092 0.018 26059 13886 1 19 . 1 1 140 140 LYS C C 140 175.800 175.800 177.072 -1.272 26059 13887 1 19 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.098 -0.046 26059 13888 1 19 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.891 -0.245 26059 13889 1 19 . 1 1 140 140 LYS H H 140 7.304 7.304 7.523 -0.219 26059 13890 1 20 . 1 1 4 4 MET C C 4 175.800 175.800 175.306 0.494 26059 13891 1 20 . 1 1 4 4 MET CA C 4 55.350 55.350 55.503 -0.153 26059 13892 1 20 . 1 1 4 4 MET CB C 4 32.880 32.880 31.067 1.813 26059 13893 1 20 . 1 1 5 5 ALA N N 5 125.230 125.230 123.740 1.490 26059 13894 1 20 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.416 -0.066 26059 13895 1 20 . 1 1 5 5 ALA CA C 5 52.430 52.430 51.658 0.772 26059 13896 1 20 . 1 1 5 5 ALA CB C 5 19.370 19.370 18.437 0.933 26059 13897 1 20 . 1 1 5 5 ALA H H 5 8.320 8.320 8.281 0.039 26059 13898 1 20 . 1 1 6 6 SER HA H 6 4.490 4.490 4.448 0.042 26059 13899 1 20 . 1 1 6 6 SER CA C 6 58.200 58.200 57.976 0.224 26059 13900 1 20 . 1 1 6 6 SER CB C 6 63.700 63.700 63.707 -0.007 26059 13901 1 20 . 1 1 7 7 SER HA H 7 4.530 4.530 4.826 -0.296 26059 13902 1 20 . 1 1 7 7 SER CA C 7 58.200 58.200 58.328 -0.128 26059 13903 1 20 . 1 1 7 7 SER CB C 7 63.700 63.700 63.129 0.571 26059 13904 1 20 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.820 -0.210 26059 13905 1 20 . 1 1 8 8 CYS C C 8 173.500 173.500 173.089 0.411 26059 13906 1 20 . 1 1 8 8 CYS CA C 8 58.340 58.340 56.687 1.653 26059 13907 1 20 . 1 1 8 8 CYS CB C 8 28.490 28.490 30.017 -1.527 26059 13908 1 20 . 1 1 9 9 ALA N N 9 124.700 124.700 128.059 -3.359 26059 13909 1 20 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.164 -0.374 26059 13910 1 20 . 1 1 9 9 ALA C C 9 177.400 177.400 176.388 1.012 26059 13911 1 20 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.519 1.551 26059 13912 1 20 . 1 1 9 9 ALA CB C 9 20.629 20.629 21.181 -0.552 26059 13913 1 20 . 1 1 9 9 ALA H H 9 7.960 7.960 8.270 -0.310 26059 13914 1 20 . 1 1 10 10 VAL N N 10 120.124 120.124 122.031 -1.907 26059 13915 1 20 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.306 -0.016 26059 13916 1 20 . 1 1 10 10 VAL C C 10 173.900 173.900 174.963 -1.063 26059 13917 1 20 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.037 0.513 26059 13918 1 20 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.627 1.273 26059 13919 1 20 . 1 1 10 10 VAL H H 10 8.424 8.424 8.497 -0.073 26059 13920 1 20 . 1 1 11 11 GLN N N 11 125.818 125.818 123.697 2.121 26059 13921 1 20 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.347 0.213 26059 13922 1 20 . 1 1 11 11 GLN C C 11 175.400 175.400 175.379 0.021 26059 13923 1 20 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.260 -0.136 26059 13924 1 20 . 1 1 11 11 GLN CB C 11 32.029 32.029 31.014 1.015 26059 13925 1 20 . 1 1 11 11 GLN H H 11 8.636 8.636 8.379 0.257 26059 13926 1 20 . 1 1 12 12 VAL N N 12 119.106 119.106 117.668 1.438 26059 13927 1 20 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.392 0.238 26059 13928 1 20 . 1 1 12 12 VAL C C 12 173.800 173.800 174.529 -0.729 26059 13929 1 20 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.495 0.305 26059 13930 1 20 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.893 1.818 26059 13931 1 20 . 1 1 12 12 VAL H H 12 8.827 8.827 8.673 0.154 26059 13932 1 20 . 1 1 13 13 LYS N N 13 121.700 121.700 120.796 0.904 26059 13933 1 20 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.293 -0.093 26059 13934 1 20 . 1 1 13 13 LYS C C 13 175.030 175.030 175.304 -0.274 26059 13935 1 20 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.223 0.207 26059 13936 1 20 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.858 0.062 26059 13937 1 20 . 1 1 13 13 LYS H H 13 8.234 8.234 8.419 -0.185 26059 13938 1 20 . 1 1 14 14 LEU N N 14 119.100 119.100 122.682 -3.582 26059 13939 1 20 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.114 -0.164 26059 13940 1 20 . 1 1 14 14 LEU C C 14 175.110 175.110 175.227 -0.117 26059 13941 1 20 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.505 -0.149 26059 13942 1 20 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.991 0.930 26059 13943 1 20 . 1 1 14 14 LEU H H 14 8.840 8.840 8.601 0.239 26059 13944 1 20 . 1 1 15 15 GLU N N 15 120.978 120.978 123.433 -2.455 26059 13945 1 20 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.552 -0.562 26059 13946 1 20 . 1 1 15 15 GLU C C 15 173.800 173.800 174.833 -1.033 26059 13947 1 20 . 1 1 15 15 GLU CA C 15 55.428 55.428 53.815 1.613 26059 13948 1 20 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.847 -1.021 26059 13949 1 20 . 1 1 15 15 GLU H H 15 9.181 9.181 9.189 -0.008 26059 13950 1 20 . 1 1 16 16 LEU N N 16 124.438 124.438 127.382 -2.944 26059 13951 1 20 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.178 -0.068 26059 13952 1 20 . 1 1 16 16 LEU C C 16 174.700 174.700 176.126 -1.426 26059 13953 1 20 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.741 0.335 26059 13954 1 20 . 1 1 16 16 LEU CB C 16 44.892 44.892 40.636 4.256 26059 13955 1 20 . 1 1 16 16 LEU H H 16 8.891 8.891 8.678 0.213 26059 13956 1 20 . 1 1 17 17 GLY N N 17 108.067 108.067 111.338 -3.271 26059 13957 1 20 . 1 1 17 17 GLY C C 17 170.350 170.350 171.587 -1.237 26059 13958 1 20 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.316 2.668 26059 13959 1 20 . 1 1 17 17 GLY H H 17 7.227 7.227 8.668 -1.441 26059 13960 1 20 . 1 1 18 18 HIS N N 18 111.200 111.200 116.660 -5.460 26059 13961 1 20 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.129 0.491 26059 13962 1 20 . 1 1 18 18 HIS C C 18 172.400 172.400 172.648 -0.248 26059 13963 1 20 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.783 0.157 26059 13964 1 20 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.829 1.331 26059 13965 1 20 . 1 1 18 18 HIS H H 18 8.150 8.150 8.451 -0.301 26059 13966 1 20 . 1 1 19 19 ARG N N 19 117.800 117.800 121.177 -3.377 26059 13967 1 20 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.427 -0.327 26059 13968 1 20 . 1 1 19 19 ARG C C 19 175.800 175.800 174.778 1.022 26059 13969 1 20 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.247 -0.747 26059 13970 1 20 . 1 1 19 19 ARG CB C 19 34.650 34.650 32.823 1.827 26059 13971 1 20 . 1 1 19 19 ARG H H 19 9.010 9.010 8.560 0.450 26059 13972 1 20 . 1 1 20 20 ALA N N 20 120.390 120.390 127.954 -7.564 26059 13973 1 20 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.390 0.150 26059 13974 1 20 . 1 1 20 20 ALA C C 20 175.800 175.800 176.064 -0.264 26059 13975 1 20 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.295 1.295 26059 13976 1 20 . 1 1 20 20 ALA CB C 20 23.750 23.750 21.345 2.405 26059 13977 1 20 . 1 1 20 20 ALA H H 20 8.070 8.070 8.808 -0.738 26059 13978 1 20 . 1 1 21 21 GLN N N 21 121.790 121.790 123.828 -2.038 26059 13979 1 20 . 1 1 21 21 GLN HA H 21 5.230 5.230 4.841 0.389 26059 13980 1 20 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.672 0.658 26059 13981 1 20 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.105 0.795 26059 13982 1 20 . 1 1 21 21 GLN H H 21 9.240 9.240 9.134 0.106 26059 13983 1 20 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.402 -0.772 26059 13984 1 20 . 1 1 22 22 VAL C C 22 176.500 176.500 175.267 1.233 26059 13985 1 20 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.109 2.921 26059 13986 1 20 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.289 -2.689 26059 13987 1 20 . 1 1 23 23 ARG N N 23 127.840 127.840 125.736 2.104 26059 13988 1 20 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.593 -0.463 26059 13989 1 20 . 1 1 23 23 ARG CA C 23 56.200 56.200 55.052 1.148 26059 13990 1 20 . 1 1 23 23 ARG CB C 23 32.150 32.150 30.962 1.188 26059 13991 1 20 . 1 1 23 23 ARG H H 23 8.720 8.720 8.854 -0.134 26059 13992 1 20 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.113 -0.073 26059 13993 1 20 . 1 1 24 24 LYS C C 24 176.960 176.960 176.095 0.865 26059 13994 1 20 . 1 1 24 24 LYS CA C 24 58.800 58.800 58.218 0.582 26059 13995 1 20 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.663 -0.603 26059 13996 1 20 . 1 1 25 25 LYS N N 25 115.870 115.870 118.799 -2.929 26059 13997 1 20 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.649 0.181 26059 13998 1 20 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.231 -0.271 26059 13999 1 20 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.514 1.566 26059 14000 1 20 . 1 1 25 25 LYS H H 25 7.720 7.720 7.807 -0.087 26059 14001 1 20 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.584 0.246 26059 14002 1 20 . 1 1 26 26 PRO C C 26 177.400 177.400 176.935 0.465 26059 14003 1 20 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.111 -0.461 26059 14004 1 20 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.248 0.142 26059 14005 1 20 . 1 1 27 27 THR N N 27 111.270 111.270 114.701 -3.431 26059 14006 1 20 . 1 1 27 27 THR HA H 27 4.530 4.530 4.282 0.248 26059 14007 1 20 . 1 1 27 27 THR C C 27 177.300 177.300 176.952 0.348 26059 14008 1 20 . 1 1 27 27 THR CA C 27 61.300 61.300 61.046 0.254 26059 14009 1 20 . 1 1 27 27 THR CB C 27 71.460 71.460 70.018 1.442 26059 14010 1 20 . 1 1 27 27 THR H H 27 8.380 8.380 8.199 0.181 26059 14011 1 20 . 1 1 28 28 VAL N N 28 121.170 121.170 121.154 0.016 26059 14012 1 20 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.879 0.004 26059 14013 1 20 . 1 1 28 28 VAL C C 28 177.030 177.030 176.195 0.835 26059 14014 1 20 . 1 1 28 28 VAL CA C 28 65.200 65.200 65.110 0.090 26059 14015 1 20 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.640 -0.240 26059 14016 1 20 . 1 1 28 28 VAL H H 28 8.910 8.910 8.478 0.432 26059 14017 1 20 . 1 1 29 29 GLU N N 29 116.800 116.800 117.908 -1.108 26059 14018 1 20 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.066 -0.146 26059 14019 1 20 . 1 1 29 29 GLU C C 29 176.200 176.200 176.636 -0.436 26059 14020 1 20 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.500 1.750 26059 14021 1 20 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.456 -0.286 26059 14022 1 20 . 1 1 29 29 GLU H H 29 7.990 7.990 8.180 -0.190 26059 14023 1 20 . 1 1 30 30 GLY N N 30 105.500 105.500 107.978 -2.478 26059 14024 1 20 . 1 1 30 30 GLY C C 30 174.900 174.900 174.193 0.707 26059 14025 1 20 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.486 -1.026 26059 14026 1 20 . 1 1 30 30 GLY H H 30 7.950 7.950 7.654 0.296 26059 14027 1 20 . 1 1 31 31 PHE N N 31 119.300 119.300 118.901 0.399 26059 14028 1 20 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.868 -0.108 26059 14029 1 20 . 1 1 31 31 PHE C C 31 176.400 176.400 176.249 0.151 26059 14030 1 20 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.761 1.139 26059 14031 1 20 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.611 -4.111 26059 14032 1 20 . 1 1 31 31 PHE H H 31 7.520 7.520 7.448 0.072 26059 14033 1 20 . 1 1 32 32 THR N N 32 112.300 112.300 116.404 -4.104 26059 14034 1 20 . 1 1 32 32 THR HA H 32 4.330 4.330 4.371 -0.041 26059 14035 1 20 . 1 1 32 32 THR C C 32 175.200 175.200 174.109 1.091 26059 14036 1 20 . 1 1 32 32 THR CA C 32 62.780 62.780 63.153 -0.373 26059 14037 1 20 . 1 1 32 32 THR CB C 32 70.350 70.350 69.472 0.878 26059 14038 1 20 . 1 1 32 32 THR H H 32 7.770 7.770 8.966 -1.196 26059 14039 1 20 . 1 1 33 33 HIS N N 33 121.900 121.900 120.403 1.497 26059 14040 1 20 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.460 0.040 26059 14041 1 20 . 1 1 33 33 HIS C C 33 173.880 173.880 173.565 0.315 26059 14042 1 20 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.775 1.006 26059 14043 1 20 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.689 1.951 26059 14044 1 20 . 1 1 33 33 HIS H H 33 9.110 9.110 8.703 0.407 26059 14045 1 20 . 1 1 34 34 ASP N N 34 120.300 120.300 122.400 -2.100 26059 14046 1 20 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.562 -0.162 26059 14047 1 20 . 1 1 34 34 ASP C C 34 175.100 175.100 175.066 0.034 26059 14048 1 20 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.470 -0.160 26059 14049 1 20 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.324 -0.324 26059 14050 1 20 . 1 1 34 34 ASP H H 34 8.810 8.810 8.845 -0.035 26059 14051 1 20 . 1 1 35 35 TRP N N 35 119.800 119.800 121.413 -1.613 26059 14052 1 20 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.807 -0.077 26059 14053 1 20 . 1 1 35 35 TRP C C 35 174.900 174.900 173.753 1.147 26059 14054 1 20 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.308 0.592 26059 14055 1 20 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.936 1.734 26059 14056 1 20 . 1 1 35 35 TRP H H 35 9.250 9.250 8.853 0.397 26059 14057 1 20 . 1 1 36 36 MET N N 36 120.980 120.980 124.822 -3.842 26059 14058 1 20 . 1 1 36 36 MET HA H 36 5.750 5.750 5.867 -0.117 26059 14059 1 20 . 1 1 36 36 MET C C 36 173.700 173.700 174.891 -1.191 26059 14060 1 20 . 1 1 36 36 MET CA C 36 54.830 54.830 53.722 1.108 26059 14061 1 20 . 1 1 36 36 MET CB C 36 35.220 35.220 35.669 -0.449 26059 14062 1 20 . 1 1 36 36 MET H H 36 9.080 9.080 8.974 0.106 26059 14063 1 20 . 1 1 37 37 VAL N N 37 126.220 126.220 122.263 3.957 26059 14064 1 20 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.162 0.148 26059 14065 1 20 . 1 1 37 37 VAL C C 37 172.300 172.300 174.564 -2.264 26059 14066 1 20 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.700 -1.160 26059 14067 1 20 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.196 1.874 26059 14068 1 20 . 1 1 37 37 VAL H H 37 9.080 9.080 9.002 0.078 26059 14069 1 20 . 1 1 38 38 PHE N N 38 120.640 120.640 118.393 2.247 26059 14070 1 20 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.047 -0.077 26059 14071 1 20 . 1 1 38 38 PHE C C 38 172.960 172.960 173.557 -0.597 26059 14072 1 20 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.568 0.562 26059 14073 1 20 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.516 0.484 26059 14074 1 20 . 1 1 38 38 PHE H H 38 8.320 8.320 8.714 -0.394 26059 14075 1 20 . 1 1 39 39 VAL N N 39 116.500 116.500 118.517 -2.017 26059 14076 1 20 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.924 -0.914 26059 14077 1 20 . 1 1 39 39 VAL C C 39 174.700 174.700 174.657 0.043 26059 14078 1 20 . 1 1 39 39 VAL CA C 39 61.640 61.640 59.806 1.833 26059 14079 1 20 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.044 0.356 26059 14080 1 20 . 1 1 39 39 VAL H H 39 8.580 8.580 9.208 -0.628 26059 14081 1 20 . 1 1 40 40 ARG N N 40 124.100 124.100 122.929 1.171 26059 14082 1 20 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.095 -0.015 26059 14083 1 20 . 1 1 40 40 ARG C C 40 173.800 173.800 174.976 -1.176 26059 14084 1 20 . 1 1 40 40 ARG CA C 40 54.300 54.300 54.647 -0.346 26059 14085 1 20 . 1 1 40 40 ARG CB C 40 33.580 33.580 32.242 1.338 26059 14086 1 20 . 1 1 40 40 ARG H H 40 9.880 9.880 8.625 1.255 26059 14087 1 20 . 1 1 41 41 GLY N N 41 107.640 107.640 106.903 0.737 26059 14088 1 20 . 1 1 41 41 GLY CA C 41 43.970 43.970 43.122 0.848 26059 14089 1 20 . 1 1 41 41 GLY H H 41 8.910 8.910 7.994 0.916 26059 14090 1 20 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.330 0.160 26059 14091 1 20 . 1 1 42 42 PRO C C 42 177.300 177.300 176.267 1.033 26059 14092 1 20 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.624 -1.184 26059 14093 1 20 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.440 0.670 26059 14094 1 20 . 1 1 43 43 GLU N N 43 121.050 121.050 120.646 0.404 26059 14095 1 20 . 1 1 43 43 GLU HA H 43 3.790 3.790 4.015 -0.225 26059 14096 1 20 . 1 1 43 43 GLU C C 43 176.110 176.110 175.620 0.490 26059 14097 1 20 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.854 -0.004 26059 14098 1 20 . 1 1 43 43 GLU CB C 43 27.850 27.850 26.978 0.872 26059 14099 1 20 . 1 1 43 43 GLU H H 43 9.060 9.060 9.005 0.055 26059 14100 1 20 . 1 1 44 44 HIS N N 44 114.100 114.100 113.211 0.889 26059 14101 1 20 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.163 0.188 26059 14102 1 20 . 1 1 44 44 HIS C C 44 175.170 175.170 174.295 0.875 26059 14103 1 20 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.637 0.013 26059 14104 1 20 . 1 1 44 44 HIS CB C 44 28.370 28.370 29.266 -0.896 26059 14105 1 20 . 1 1 44 44 HIS H H 44 8.420 8.420 8.092 0.328 26059 14106 1 20 . 1 1 45 45 SER N N 45 115.540 115.540 117.222 -1.682 26059 14107 1 20 . 1 1 45 45 SER HA H 45 4.560 4.560 4.340 0.220 26059 14108 1 20 . 1 1 45 45 SER C C 45 173.700 173.700 174.139 -0.439 26059 14109 1 20 . 1 1 45 45 SER CA C 45 58.710 58.710 59.789 -1.079 26059 14110 1 20 . 1 1 45 45 SER CB C 45 64.500 64.500 63.813 0.687 26059 14111 1 20 . 1 1 45 45 SER H H 45 7.870 7.870 7.582 0.288 26059 14112 1 20 . 1 1 46 46 ASN N N 46 123.900 123.900 122.609 1.291 26059 14113 1 20 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.479 0.641 26059 14114 1 20 . 1 1 46 46 ASN C C 46 176.300 176.300 175.910 0.390 26059 14115 1 20 . 1 1 46 46 ASN CA C 46 52.690 52.690 54.231 -1.541 26059 14116 1 20 . 1 1 46 46 ASN CB C 46 38.730 38.730 38.919 -0.189 26059 14117 1 20 . 1 1 46 46 ASN H H 46 9.480 9.480 8.591 0.889 26059 14118 1 20 . 1 1 47 47 ILE N N 47 115.240 115.240 117.928 -2.688 26059 14119 1 20 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.010 -0.070 26059 14120 1 20 . 1 1 47 47 ILE C C 47 176.000 176.000 176.788 -0.788 26059 14121 1 20 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.793 1.407 26059 14122 1 20 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.702 -1.002 26059 14123 1 20 . 1 1 47 47 ILE H H 47 8.170 8.170 8.400 -0.230 26059 14124 1 20 . 1 1 48 48 GLN N N 48 123.200 123.200 120.623 2.577 26059 14125 1 20 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.239 0.041 26059 14126 1 20 . 1 1 48 48 GLN C C 48 175.670 175.670 177.232 -1.562 26059 14127 1 20 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.408 -0.508 26059 14128 1 20 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.678 -0.688 26059 14129 1 20 . 1 1 48 48 GLN H H 48 8.850 8.850 8.439 0.411 26059 14130 1 20 . 1 1 49 49 HIS N N 49 115.400 115.400 117.450 -2.050 26059 14131 1 20 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.359 0.211 26059 14132 1 20 . 1 1 49 49 HIS C C 49 176.380 176.380 176.841 -0.461 26059 14133 1 20 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.045 -0.295 26059 14134 1 20 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.095 1.526 26059 14135 1 20 . 1 1 49 49 HIS H H 49 7.400 7.400 7.908 -0.508 26059 14136 1 20 . 1 1 50 50 PHE N N 50 109.800 109.800 112.060 -2.260 26059 14137 1 20 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.842 0.388 26059 14138 1 20 . 1 1 50 50 PHE C C 50 173.800 173.800 174.661 -0.861 26059 14139 1 20 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.144 -0.484 26059 14140 1 20 . 1 1 50 50 PHE CB C 50 41.000 41.000 40.149 0.851 26059 14141 1 20 . 1 1 50 50 PHE H H 50 7.570 7.570 7.492 0.078 26059 14142 1 20 . 1 1 51 51 VAL N N 51 127.810 127.810 121.532 6.278 26059 14143 1 20 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.611 -0.241 26059 14144 1 20 . 1 1 51 51 VAL C C 51 174.500 174.500 175.450 -0.950 26059 14145 1 20 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.976 0.024 26059 14146 1 20 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.576 0.704 26059 14147 1 20 . 1 1 51 51 VAL H H 51 7.810 7.810 8.122 -0.312 26059 14148 1 20 . 1 1 52 52 GLU N N 52 130.700 130.700 129.343 1.357 26059 14149 1 20 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.459 -0.479 26059 14150 1 20 . 1 1 52 52 GLU C C 52 175.400 175.400 175.474 -0.074 26059 14151 1 20 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.385 0.615 26059 14152 1 20 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.669 -0.089 26059 14153 1 20 . 1 1 52 52 GLU H H 52 9.380 9.380 9.109 0.271 26059 14154 1 20 . 1 1 53 53 LYS N N 53 109.200 109.200 117.829 -8.629 26059 14155 1 20 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.740 0.060 26059 14156 1 20 . 1 1 53 53 LYS C C 53 172.300 172.300 174.251 -1.951 26059 14157 1 20 . 1 1 53 53 LYS CA C 53 54.840 54.840 54.803 0.037 26059 14158 1 20 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.750 -1.500 26059 14159 1 20 . 1 1 53 53 LYS H H 53 7.190 7.190 7.497 -0.307 26059 14160 1 20 . 1 1 54 54 VAL N N 54 120.380 120.380 121.603 -1.223 26059 14161 1 20 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.794 -0.024 26059 14162 1 20 . 1 1 54 54 VAL C C 54 173.600 173.600 173.818 -0.218 26059 14163 1 20 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.263 0.777 26059 14164 1 20 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.728 -1.028 26059 14165 1 20 . 1 1 54 54 VAL H H 54 8.450 8.450 8.537 -0.087 26059 14166 1 20 . 1 1 55 55 VAL N N 55 126.920 126.920 121.573 5.347 26059 14167 1 20 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.163 -0.463 26059 14168 1 20 . 1 1 55 55 VAL C C 55 173.800 173.800 173.409 0.391 26059 14169 1 20 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.514 1.357 26059 14170 1 20 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.766 -1.666 26059 14171 1 20 . 1 1 55 55 VAL H H 55 9.260 9.260 8.608 0.652 26059 14172 1 20 . 1 1 56 56 PHE N N 56 126.130 126.130 127.488 -1.358 26059 14173 1 20 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.868 -0.146 26059 14174 1 20 . 1 1 56 56 PHE C C 56 174.000 174.000 174.956 -0.956 26059 14175 1 20 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.078 0.502 26059 14176 1 20 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.341 0.549 26059 14177 1 20 . 1 1 56 56 PHE H H 56 9.290 9.290 8.789 0.501 26059 14178 1 20 . 1 1 57 57 HIS N N 57 124.180 124.180 125.419 -1.239 26059 14179 1 20 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.807 -0.007 26059 14180 1 20 . 1 1 57 57 HIS C C 57 174.700 174.700 175.006 -0.306 26059 14181 1 20 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.928 -1.608 26059 14182 1 20 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.026 2.074 26059 14183 1 20 . 1 1 57 57 HIS H H 57 8.690 8.690 8.317 0.373 26059 14184 1 20 . 1 1 58 58 LEU N N 58 122.050 122.050 124.427 -2.377 26059 14185 1 20 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.483 -0.173 26059 14186 1 20 . 1 1 58 58 LEU C C 58 174.400 174.400 176.928 -2.528 26059 14187 1 20 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.457 0.953 26059 14188 1 20 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.670 -1.510 26059 14189 1 20 . 1 1 58 58 LEU H H 58 9.050 9.050 8.684 0.366 26059 14190 1 20 . 1 1 59 59 HIS N N 59 118.510 118.510 118.171 0.339 26059 14191 1 20 . 1 1 59 59 HIS C C 59 175.300 175.300 176.497 -1.197 26059 14192 1 20 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.897 3.213 26059 14193 1 20 . 1 1 59 59 HIS CB C 59 30.930 30.930 30.938 -0.008 26059 14194 1 20 . 1 1 59 59 HIS H H 59 5.160 5.160 7.828 -2.668 26059 14195 1 20 . 1 1 60 60 GLU N N 60 122.190 122.190 126.180 -3.990 26059 14196 1 20 . 1 1 60 60 GLU HA H 60 3.960 3.960 3.995 -0.035 26059 14197 1 20 . 1 1 60 60 GLU C C 60 175.130 175.130 176.944 -1.814 26059 14198 1 20 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.255 -0.245 26059 14199 1 20 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.457 0.363 26059 14200 1 20 . 1 1 60 60 GLU H H 60 7.960 7.960 8.444 -0.484 26059 14201 1 20 . 1 1 61 61 SER N N 61 116.940 116.940 112.714 4.226 26059 14202 1 20 . 1 1 61 61 SER HA H 61 4.200 4.200 4.390 -0.190 26059 14203 1 20 . 1 1 61 61 SER CA C 61 60.010 60.010 59.145 0.865 26059 14204 1 20 . 1 1 61 61 SER CB C 61 63.140 63.140 63.828 -0.688 26059 14205 1 20 . 1 1 61 61 SER H H 61 8.540 8.540 7.979 0.561 26059 14206 1 20 . 1 1 62 62 PHE N N 62 123.700 123.700 122.787 0.913 26059 14207 1 20 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.714 -0.124 26059 14208 1 20 . 1 1 62 62 PHE CA C 62 57.400 57.400 55.986 1.414 26059 14209 1 20 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.207 -0.807 26059 14210 1 20 . 1 1 62 62 PHE H H 62 8.640 8.640 8.184 0.456 26059 14211 1 20 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.443 -0.033 26059 14212 1 20 . 1 1 63 63 PRO C C 63 176.400 176.400 176.448 -0.048 26059 14213 1 20 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.510 -0.910 26059 14214 1 20 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.110 -0.250 26059 14215 1 20 . 1 1 64 64 ARG N N 64 116.840 116.840 122.073 -5.233 26059 14216 1 20 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.173 -0.073 26059 14217 1 20 . 1 1 64 64 ARG CA C 64 55.610 55.610 55.963 -0.353 26059 14218 1 20 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.186 0.644 26059 14219 1 20 . 1 1 64 64 ARG H H 64 8.890 8.890 8.601 0.289 26059 14220 1 20 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.368 -0.378 26059 14221 1 20 . 1 1 65 65 PRO C C 65 175.800 175.800 176.846 -1.046 26059 14222 1 20 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.004 1.806 26059 14223 1 20 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.203 -0.323 26059 14224 1 20 . 1 1 66 66 LYS N N 66 119.035 119.035 119.396 -0.361 26059 14225 1 20 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.584 0.026 26059 14226 1 20 . 1 1 66 66 LYS C C 66 175.400 175.400 175.765 -0.365 26059 14227 1 20 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.250 0.203 26059 14228 1 20 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.405 -0.675 26059 14229 1 20 . 1 1 66 66 LYS H H 66 7.630 7.630 7.909 -0.279 26059 14230 1 20 . 1 1 67 67 ARG N N 67 127.394 127.394 128.540 -1.146 26059 14231 1 20 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.634 0.106 26059 14232 1 20 . 1 1 67 67 ARG C C 67 174.500 174.500 175.190 -0.690 26059 14233 1 20 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.748 0.052 26059 14234 1 20 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.157 0.557 26059 14235 1 20 . 1 1 67 67 ARG H H 67 8.855 8.855 8.611 0.244 26059 14236 1 20 . 1 1 68 68 VAL N N 68 124.388 124.388 121.922 2.466 26059 14237 1 20 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.053 -0.473 26059 14238 1 20 . 1 1 68 68 VAL C C 68 176.850 176.850 175.983 0.867 26059 14239 1 20 . 1 1 68 68 VAL CA C 68 62.073 62.073 61.052 1.021 26059 14240 1 20 . 1 1 68 68 VAL CB C 68 33.604 33.604 32.357 1.247 26059 14241 1 20 . 1 1 68 68 VAL H H 68 8.681 8.681 7.925 0.756 26059 14242 1 20 . 1 1 69 69 CYS N N 69 127.080 127.080 127.572 -0.492 26059 14243 1 20 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.881 0.189 26059 14244 1 20 . 1 1 69 69 CYS CA C 69 58.346 58.346 57.960 0.386 26059 14245 1 20 . 1 1 69 69 CYS CB C 69 30.170 30.170 30.065 0.105 26059 14246 1 20 . 1 1 69 69 CYS H H 69 9.455 9.455 9.161 0.294 26059 14247 1 20 . 1 1 70 70 LYS N N 70 125.480 125.480 123.900 1.580 26059 14248 1 20 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.641 -0.151 26059 14249 1 20 . 1 1 70 70 LYS C C 70 174.300 174.300 176.555 -2.255 26059 14250 1 20 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.224 0.136 26059 14251 1 20 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.697 -0.527 26059 14252 1 20 . 1 1 70 70 LYS H H 70 9.050 9.050 8.784 0.266 26059 14253 1 20 . 1 1 71 71 ASP N N 71 116.940 116.940 121.429 -4.489 26059 14254 1 20 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.672 0.428 26059 14255 1 20 . 1 1 71 71 ASP CA C 71 51.080 51.080 52.670 -1.590 26059 14256 1 20 . 1 1 71 71 ASP CB C 71 43.380 43.380 39.807 3.573 26059 14257 1 20 . 1 1 71 71 ASP H H 71 7.620 7.620 8.039 -0.419 26059 14258 1 20 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.228 -0.968 26059 14259 1 20 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.933 -2.283 26059 14260 1 20 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.757 -0.717 26059 14261 1 20 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.906 0.194 26059 14262 1 20 . 1 1 73 73 PRO C C 73 174.700 174.700 176.324 -1.624 26059 14263 1 20 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.693 -2.003 26059 14264 1 20 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.623 2.417 26059 14265 1 20 . 1 1 74 74 TYR N N 74 125.400 125.400 124.674 0.726 26059 14266 1 20 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.393 0.457 26059 14267 1 20 . 1 1 74 74 TYR C C 74 172.900 172.900 175.466 -2.566 26059 14268 1 20 . 1 1 74 74 TYR CA C 74 55.670 55.670 59.089 -3.419 26059 14269 1 20 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.747 -1.347 26059 14270 1 20 . 1 1 74 74 TYR H H 74 8.960 8.960 8.097 0.863 26059 14271 1 20 . 1 1 75 75 LYS N N 75 121.400 121.400 120.089 1.311 26059 14272 1 20 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.562 0.028 26059 14273 1 20 . 1 1 75 75 LYS C C 75 173.800 173.800 174.964 -1.164 26059 14274 1 20 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.051 0.599 26059 14275 1 20 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.144 -1.254 26059 14276 1 20 . 1 1 75 75 LYS H H 75 7.670 7.670 7.942 -0.272 26059 14277 1 20 . 1 1 76 76 VAL N N 76 119.800 119.800 122.365 -2.565 26059 14278 1 20 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.286 -0.396 26059 14279 1 20 . 1 1 76 76 VAL C C 76 173.900 173.900 174.399 -0.499 26059 14280 1 20 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.493 1.237 26059 14281 1 20 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.233 0.307 26059 14282 1 20 . 1 1 76 76 VAL H H 76 8.180 8.180 8.610 -0.430 26059 14283 1 20 . 1 1 77 77 GLU N N 77 126.190 126.190 126.121 0.069 26059 14284 1 20 . 1 1 77 77 GLU HA H 77 4.950 4.950 4.988 -0.038 26059 14285 1 20 . 1 1 77 77 GLU C C 77 174.700 174.700 175.047 -0.347 26059 14286 1 20 . 1 1 77 77 GLU CA C 77 54.940 54.940 55.141 -0.201 26059 14287 1 20 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.596 -0.046 26059 14288 1 20 . 1 1 77 77 GLU H H 77 8.270 8.270 8.655 -0.385 26059 14289 1 20 . 1 1 78 78 GLU N N 78 126.180 126.180 125.046 1.134 26059 14290 1 20 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.581 -0.131 26059 14291 1 20 . 1 1 78 78 GLU C C 78 175.400 175.400 173.953 1.447 26059 14292 1 20 . 1 1 78 78 GLU CA C 78 54.000 54.000 53.694 0.306 26059 14293 1 20 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.262 3.838 26059 14294 1 20 . 1 1 78 78 GLU H H 78 7.870 7.870 7.842 0.028 26059 14295 1 20 . 1 1 79 79 SER N N 79 112.109 112.109 115.018 -2.909 26059 14296 1 20 . 1 1 79 79 SER HA H 79 5.560 5.560 5.591 -0.031 26059 14297 1 20 . 1 1 79 79 SER C C 79 172.490 172.490 173.655 -1.165 26059 14298 1 20 . 1 1 79 79 SER CA C 79 57.754 57.754 56.244 1.510 26059 14299 1 20 . 1 1 79 79 SER CB C 79 65.861 65.861 65.649 0.212 26059 14300 1 20 . 1 1 79 79 SER H H 79 7.714 7.714 8.416 -0.702 26059 14301 1 20 . 1 1 80 80 GLY N N 80 106.048 106.048 110.667 -4.619 26059 14302 1 20 . 1 1 80 80 GLY C C 80 172.630 172.630 172.087 0.543 26059 14303 1 20 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.195 0.505 26059 14304 1 20 . 1 1 80 80 GLY H H 80 8.828 8.828 8.934 -0.106 26059 14305 1 20 . 1 1 81 81 TYR N N 81 115.280 115.280 115.977 -0.697 26059 14306 1 20 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.372 0.308 26059 14307 1 20 . 1 1 81 81 TYR C C 81 174.100 174.100 174.245 -0.145 26059 14308 1 20 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.191 -1.691 26059 14309 1 20 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.708 0.292 26059 14310 1 20 . 1 1 81 81 TYR H H 81 8.770 8.770 8.036 0.734 26059 14311 1 20 . 1 1 82 82 ALA N N 82 122.350 122.350 123.126 -0.776 26059 14312 1 20 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.531 -0.091 26059 14313 1 20 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.508 -0.468 26059 14314 1 20 . 1 1 82 82 ALA CB C 82 22.400 22.400 20.901 1.499 26059 14315 1 20 . 1 1 82 82 ALA H H 82 7.160 7.160 7.161 -0.001 26059 14316 1 20 . 1 1 83 83 GLY N N 83 107.100 107.100 109.310 -2.210 26059 14317 1 20 . 1 1 83 83 GLY C C 83 172.500 172.500 173.573 -1.073 26059 14318 1 20 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.739 -0.128 26059 14319 1 20 . 1 1 83 83 GLY H H 83 8.220 8.220 8.312 -0.092 26059 14320 1 20 . 1 1 84 84 PHE N N 84 111.660 111.660 116.799 -5.139 26059 14321 1 20 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.719 -0.029 26059 14322 1 20 . 1 1 84 84 PHE C C 84 172.460 172.460 173.570 -1.110 26059 14323 1 20 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.952 0.548 26059 14324 1 20 . 1 1 84 84 PHE CB C 84 38.580 38.580 40.321 -1.741 26059 14325 1 20 . 1 1 84 84 PHE H H 84 7.700 7.700 8.248 -0.548 26059 14326 1 20 . 1 1 85 85 ILE N N 85 117.810 117.810 121.683 -3.873 26059 14327 1 20 . 1 1 85 85 ILE HA H 85 4.310 4.310 3.879 0.431 26059 14328 1 20 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.711 -1.371 26059 14329 1 20 . 1 1 85 85 ILE CB C 85 35.260 35.260 37.069 -1.808 26059 14330 1 20 . 1 1 85 85 ILE H H 85 8.340 8.340 8.493 -0.153 26059 14331 1 20 . 1 1 86 86 LEU N N 86 108.130 108.130 129.207 -21.077 26059 14332 1 20 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.983 -0.003 26059 14333 1 20 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.999 2.201 26059 14334 1 20 . 1 1 86 86 LEU CB C 86 45.300 45.300 45.047 0.253 26059 14335 1 20 . 1 1 86 86 LEU H H 86 9.900 9.900 8.605 1.295 26059 14336 1 20 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.457 0.643 26059 14337 1 20 . 1 1 87 87 PRO C C 87 175.340 175.340 175.821 -0.481 26059 14338 1 20 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.221 -0.111 26059 14339 1 20 . 1 1 87 87 PRO CB C 87 31.560 31.560 30.975 0.585 26059 14340 1 20 . 1 1 88 88 ILE N N 88 126.000 126.000 127.108 -1.108 26059 14341 1 20 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.494 0.296 26059 14342 1 20 . 1 1 88 88 ILE C C 88 176.100 176.100 175.072 1.028 26059 14343 1 20 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.424 0.136 26059 14344 1 20 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.492 2.509 26059 14345 1 20 . 1 1 88 88 ILE H H 88 9.380 9.380 8.631 0.749 26059 14346 1 20 . 1 1 89 89 GLU N N 89 123.900 123.900 127.993 -4.093 26059 14347 1 20 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.120 0.080 26059 14348 1 20 . 1 1 89 89 GLU C C 89 173.800 173.800 175.332 -1.532 26059 14349 1 20 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.321 -0.351 26059 14350 1 20 . 1 1 89 89 GLU CB C 89 34.380 34.380 32.024 2.356 26059 14351 1 20 . 1 1 89 89 GLU H H 89 9.320 9.320 8.484 0.836 26059 14352 1 20 . 1 1 90 90 VAL N N 90 123.980 123.980 124.114 -0.134 26059 14353 1 20 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.861 0.299 26059 14354 1 20 . 1 1 90 90 VAL C C 90 174.800 174.800 174.329 0.471 26059 14355 1 20 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.615 -0.225 26059 14356 1 20 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.838 -0.348 26059 14357 1 20 . 1 1 90 90 VAL H H 90 8.630 8.630 7.908 0.722 26059 14358 1 20 . 1 1 91 91 TYR N N 91 124.230 124.230 126.066 -1.836 26059 14359 1 20 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.915 -0.255 26059 14360 1 20 . 1 1 91 91 TYR C C 91 176.800 176.800 175.694 1.106 26059 14361 1 20 . 1 1 91 91 TYR CA C 91 56.700 56.700 56.897 -0.197 26059 14362 1 20 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.834 0.406 26059 14363 1 20 . 1 1 91 91 TYR H H 91 8.640 8.640 8.941 -0.301 26059 14364 1 20 . 1 1 92 92 PHE N N 92 121.200 121.200 121.829 -0.629 26059 14365 1 20 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.302 0.358 26059 14366 1 20 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.230 1.280 26059 14367 1 20 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.343 -0.343 26059 14368 1 20 . 1 1 92 92 PHE H H 92 8.750 8.750 9.248 -0.498 26059 14369 1 20 . 1 1 93 93 LYS N N 93 123.450 123.450 123.187 0.263 26059 14370 1 20 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.477 0.123 26059 14371 1 20 . 1 1 93 93 LYS C C 93 174.200 174.200 175.234 -1.034 26059 14372 1 20 . 1 1 93 93 LYS CA C 93 55.180 55.180 56.223 -1.043 26059 14373 1 20 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.503 0.177 26059 14374 1 20 . 1 1 93 93 LYS H H 93 8.560 8.560 9.077 -0.517 26059 14375 1 20 . 1 1 94 94 ASN N N 94 118.800 118.800 122.264 -3.464 26059 14376 1 20 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.835 -0.395 26059 14377 1 20 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.517 -1.307 26059 14378 1 20 . 1 1 94 94 ASN CB C 94 39.800 39.800 42.310 -2.510 26059 14379 1 20 . 1 1 94 94 ASN H H 94 7.820 7.820 8.035 -0.215 26059 14380 1 20 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.381 -0.051 26059 14381 1 20 . 1 1 95 95 LYS C C 95 175.800 175.800 175.922 -0.122 26059 14382 1 20 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.484 -0.274 26059 14383 1 20 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.556 0.454 26059 14384 1 20 . 1 1 96 96 GLU N N 96 118.330 118.330 119.257 -0.927 26059 14385 1 20 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.320 0.190 26059 14386 1 20 . 1 1 96 96 GLU C C 96 173.200 173.200 176.052 -2.852 26059 14387 1 20 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.978 -0.878 26059 14388 1 20 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.598 0.872 26059 14389 1 20 . 1 1 96 96 GLU H H 96 7.120 7.120 7.680 -0.560 26059 14390 1 20 . 1 1 97 97 GLU N N 97 115.630 115.630 119.571 -3.941 26059 14391 1 20 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.071 0.359 26059 14392 1 20 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.389 -1.529 26059 14393 1 20 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.576 0.694 26059 14394 1 20 . 1 1 97 97 GLU H H 97 8.060 8.060 8.623 -0.563 26059 14395 1 20 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.259 0.741 26059 14396 1 20 . 1 1 98 98 PRO C C 98 175.900 175.900 176.797 -0.897 26059 14397 1 20 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.123 -1.963 26059 14398 1 20 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.865 2.135 26059 14399 1 20 . 1 1 99 99 ARG N N 99 122.800 122.800 120.849 1.951 26059 14400 1 20 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.618 0.012 26059 14401 1 20 . 1 1 99 99 ARG C C 99 175.800 175.800 175.375 0.425 26059 14402 1 20 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.600 0.600 26059 14403 1 20 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.665 -0.255 26059 14404 1 20 . 1 1 99 99 ARG H H 99 8.602 8.602 8.670 -0.068 26059 14405 1 20 . 1 1 100 100 LYS N N 100 113.220 113.220 117.652 -4.432 26059 14406 1 20 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.999 -0.059 26059 14407 1 20 . 1 1 100 100 LYS C C 100 174.100 174.100 174.847 -0.747 26059 14408 1 20 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.964 -0.573 26059 14409 1 20 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.726 -1.006 26059 14410 1 20 . 1 1 100 100 LYS H H 100 7.650 7.650 7.397 0.253 26059 14411 1 20 . 1 1 101 101 VAL N N 101 116.230 116.230 118.471 -2.241 26059 14412 1 20 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.413 -0.143 26059 14413 1 20 . 1 1 101 101 VAL C C 101 171.600 171.600 173.334 -1.734 26059 14414 1 20 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.261 0.999 26059 14415 1 20 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.431 -0.251 26059 14416 1 20 . 1 1 101 101 VAL H H 101 8.120 8.120 8.102 0.018 26059 14417 1 20 . 1 1 102 102 ARG N N 102 124.980 124.980 123.734 1.246 26059 14418 1 20 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.923 0.237 26059 14419 1 20 . 1 1 102 102 ARG C C 102 174.340 174.340 174.936 -0.596 26059 14420 1 20 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.976 -1.226 26059 14421 1 20 . 1 1 102 102 ARG CB C 102 33.350 33.350 32.133 1.216 26059 14422 1 20 . 1 1 102 102 ARG H H 102 7.930 7.930 8.058 -0.128 26059 14423 1 20 . 1 1 103 103 PHE N N 103 124.590 124.590 126.079 -1.489 26059 14424 1 20 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.731 0.061 26059 14425 1 20 . 1 1 103 103 PHE C C 103 174.280 174.280 174.804 -0.524 26059 14426 1 20 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.406 1.074 26059 14427 1 20 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.287 1.963 26059 14428 1 20 . 1 1 103 103 PHE H H 103 9.390 9.390 9.127 0.263 26059 14429 1 20 . 1 1 104 104 ASP N N 104 124.700 124.700 125.193 -0.493 26059 14430 1 20 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.543 0.256 26059 14431 1 20 . 1 1 104 104 ASP C C 104 174.500 174.500 174.818 -0.318 26059 14432 1 20 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.723 0.667 26059 14433 1 20 . 1 1 104 104 ASP CB C 104 40.230 40.230 39.880 0.350 26059 14434 1 20 . 1 1 104 104 ASP H H 104 9.010 9.010 9.035 -0.025 26059 14435 1 20 . 1 1 105 105 TYR N N 105 129.840 129.840 124.986 4.854 26059 14436 1 20 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.670 -0.600 26059 14437 1 20 . 1 1 105 105 TYR C C 105 173.100 173.100 173.346 -0.246 26059 14438 1 20 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.653 2.027 26059 14439 1 20 . 1 1 105 105 TYR CB C 105 41.850 41.850 41.901 -0.051 26059 14440 1 20 . 1 1 105 105 TYR H H 105 8.140 8.140 8.205 -0.065 26059 14441 1 20 . 1 1 106 106 ASP N N 106 126.800 126.800 128.602 -1.802 26059 14442 1 20 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.399 -0.179 26059 14443 1 20 . 1 1 106 106 ASP C C 106 172.900 172.900 174.267 -1.367 26059 14444 1 20 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.772 -0.262 26059 14445 1 20 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.410 -1.911 26059 14446 1 20 . 1 1 106 106 ASP H H 106 7.730 7.730 8.561 -0.831 26059 14447 1 20 . 1 1 107 107 LEU N N 107 132.150 132.150 127.722 4.428 26059 14448 1 20 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.379 -0.539 26059 14449 1 20 . 1 1 107 107 LEU C C 107 172.100 172.100 174.629 -2.529 26059 14450 1 20 . 1 1 107 107 LEU CA C 107 53.200 53.200 54.173 -0.973 26059 14451 1 20 . 1 1 107 107 LEU CB C 107 39.240 39.240 41.004 -1.764 26059 14452 1 20 . 1 1 107 107 LEU H H 107 7.770 7.770 7.438 0.332 26059 14453 1 20 . 1 1 108 108 PHE N N 108 118.960 118.960 120.791 -1.831 26059 14454 1 20 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.902 -0.212 26059 14455 1 20 . 1 1 108 108 PHE C C 108 174.300 174.300 173.363 0.937 26059 14456 1 20 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.346 -0.656 26059 14457 1 20 . 1 1 108 108 PHE CB C 108 40.290 40.290 41.594 -1.304 26059 14458 1 20 . 1 1 108 108 PHE H H 108 6.060 6.060 7.253 -1.194 26059 14459 1 20 . 1 1 109 109 LEU N N 109 118.900 118.900 119.541 -0.641 26059 14460 1 20 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.581 -0.181 26059 14461 1 20 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.383 -1.223 26059 14462 1 20 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.207 -2.127 26059 14463 1 20 . 1 1 109 109 LEU H H 109 8.388 8.388 8.241 0.147 26059 14464 1 20 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.365 0.075 26059 14465 1 20 . 1 1 111 111 LEU C C 111 177.300 177.300 177.526 -0.226 26059 14466 1 20 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.626 -1.406 26059 14467 1 20 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.630 1.240 26059 14468 1 20 . 1 1 112 112 GLU N N 112 120.660 120.660 120.393 0.267 26059 14469 1 20 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.262 -0.092 26059 14470 1 20 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.616 -0.156 26059 14471 1 20 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.803 -0.613 26059 14472 1 20 . 1 1 112 112 GLU H H 112 8.780 8.780 8.745 0.035 26059 14473 1 20 . 1 1 113 113 GLY C C 113 173.900 173.900 174.641 -0.741 26059 14474 1 20 . 1 1 113 113 GLY CA C 113 44.950 44.950 44.942 0.008 26059 14475 1 20 . 1 1 114 114 HIS N N 114 120.890 120.890 120.537 0.353 26059 14476 1 20 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.957 -0.051 26059 14477 1 20 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.312 1.458 26059 14478 1 20 . 1 1 114 114 HIS CB C 114 30.590 30.590 29.533 1.057 26059 14479 1 20 . 1 1 114 114 HIS H H 114 7.934 7.934 7.865 0.069 26059 14480 1 20 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.365 0.435 26059 14481 1 20 . 1 1 115 115 PRO CA C 115 62.090 62.090 61.638 0.452 26059 14482 1 20 . 1 1 115 115 PRO CB C 115 30.680 30.680 30.896 -0.216 26059 14483 1 20 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.568 -0.358 26059 14484 1 20 . 1 1 116 116 PRO C C 116 176.600 176.600 176.840 -0.240 26059 14485 1 20 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.197 0.103 26059 14486 1 20 . 1 1 117 117 VAL N N 117 127.480 127.480 122.781 4.699 26059 14487 1 20 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.069 -0.279 26059 14488 1 20 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.328 1.372 26059 14489 1 20 . 1 1 117 117 VAL CB C 117 33.200 33.200 32.303 0.897 26059 14490 1 20 . 1 1 117 117 VAL H H 117 8.890 8.890 8.530 0.360 26059 14491 1 20 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.154 -0.164 26059 14492 1 20 . 1 1 118 118 ASN C C 118 172.700 172.700 173.696 -0.996 26059 14493 1 20 . 1 1 118 118 ASN CA C 118 53.360 53.360 52.727 0.633 26059 14494 1 20 . 1 1 118 118 ASN CB C 118 39.200 39.200 39.818 -0.618 26059 14495 1 20 . 1 1 119 119 HIS N N 119 124.930 124.930 126.046 -1.116 26059 14496 1 20 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.023 -0.203 26059 14497 1 20 . 1 1 119 119 HIS C C 119 173.500 173.500 172.998 0.502 26059 14498 1 20 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.022 1.948 26059 14499 1 20 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.394 0.876 26059 14500 1 20 . 1 1 119 119 HIS H H 119 8.790 8.790 8.213 0.577 26059 14501 1 20 . 1 1 120 120 LEU N N 120 128.280 128.280 125.577 2.703 26059 14502 1 20 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.969 -0.019 26059 14503 1 20 . 1 1 120 120 LEU C C 120 174.030 174.030 175.428 -1.398 26059 14504 1 20 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.199 0.801 26059 14505 1 20 . 1 1 120 120 LEU CB C 120 46.600 46.600 44.705 1.895 26059 14506 1 20 . 1 1 120 120 LEU H H 120 7.460 7.460 8.425 -0.965 26059 14507 1 20 . 1 1 121 121 ARG N N 121 128.060 128.060 122.700 5.360 26059 14508 1 20 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.519 0.121 26059 14509 1 20 . 1 1 121 121 ARG C C 121 173.400 173.400 173.982 -0.582 26059 14510 1 20 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.972 -0.612 26059 14511 1 20 . 1 1 121 121 ARG CB C 121 34.260 34.260 33.572 0.688 26059 14512 1 20 . 1 1 121 121 ARG H H 121 9.860 9.860 8.918 0.942 26059 14513 1 20 . 1 1 122 122 CYS N N 122 125.290 125.290 125.648 -0.358 26059 14514 1 20 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.013 0.007 26059 14515 1 20 . 1 1 122 122 CYS C C 122 174.600 174.600 174.789 -0.189 26059 14516 1 20 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.626 0.665 26059 14517 1 20 . 1 1 122 122 CYS CB C 122 28.030 28.030 27.961 0.069 26059 14518 1 20 . 1 1 122 122 CYS H H 122 8.835 8.835 8.847 -0.012 26059 14519 1 20 . 1 1 123 123 GLU N N 123 125.920 125.920 125.642 0.278 26059 14520 1 20 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.423 0.257 26059 14521 1 20 . 1 1 123 123 GLU C C 123 174.500 174.500 175.113 -0.613 26059 14522 1 20 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.309 0.111 26059 14523 1 20 . 1 1 123 123 GLU CB C 123 32.583 32.583 31.251 1.332 26059 14524 1 20 . 1 1 123 123 GLU H H 123 8.970 8.970 9.022 -0.052 26059 14525 1 20 . 1 1 124 124 LYS N N 124 121.837 121.837 121.983 -0.146 26059 14526 1 20 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.967 -0.007 26059 14527 1 20 . 1 1 124 124 LYS C C 124 175.700 175.700 175.884 -0.184 26059 14528 1 20 . 1 1 124 124 LYS CA C 124 55.357 55.357 54.716 0.641 26059 14529 1 20 . 1 1 124 124 LYS CB C 124 34.189 34.189 34.648 -0.459 26059 14530 1 20 . 1 1 124 124 LYS H H 124 8.652 8.652 8.302 0.350 26059 14531 1 20 . 1 1 125 125 LEU N N 125 127.000 127.000 129.067 -2.067 26059 14532 1 20 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.565 0.085 26059 14533 1 20 . 1 1 125 125 LEU C C 125 175.110 175.110 175.312 -0.202 26059 14534 1 20 . 1 1 125 125 LEU CA C 125 53.854 53.854 53.870 -0.016 26059 14535 1 20 . 1 1 125 125 LEU CB C 125 44.267 44.267 43.440 0.827 26059 14536 1 20 . 1 1 125 125 LEU H H 125 9.175 9.175 9.221 -0.046 26059 14537 1 20 . 1 1 126 126 THR N N 126 117.779 117.779 120.194 -2.415 26059 14538 1 20 . 1 1 126 126 THR HA H 126 4.650 4.650 4.574 0.076 26059 14539 1 20 . 1 1 126 126 THR C C 126 173.200 173.200 173.529 -0.329 26059 14540 1 20 . 1 1 126 126 THR CA C 126 62.036 62.036 61.960 0.076 26059 14541 1 20 . 1 1 126 126 THR CB C 126 70.284 70.284 69.684 0.600 26059 14542 1 20 . 1 1 126 126 THR H H 126 8.331 8.331 8.394 -0.063 26059 14543 1 20 . 1 1 127 127 PHE N N 127 126.576 126.576 127.229 -0.653 26059 14544 1 20 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.720 -0.130 26059 14545 1 20 . 1 1 127 127 PHE C C 127 174.860 174.860 174.171 0.689 26059 14546 1 20 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.610 1.254 26059 14547 1 20 . 1 1 127 127 PHE CB C 127 39.000 39.000 39.845 -0.845 26059 14548 1 20 . 1 1 127 127 PHE H H 127 9.051 9.051 9.056 -0.005 26059 14549 1 20 . 1 1 128 128 ASN N N 128 123.040 123.040 121.910 1.130 26059 14550 1 20 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.717 -0.097 26059 14551 1 20 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.472 1.008 26059 14552 1 20 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.771 0.689 26059 14553 1 20 . 1 1 128 128 ASN H H 128 8.880 8.880 8.802 0.078 26059 14554 1 20 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.522 0.238 26059 14555 1 20 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.705 -0.805 26059 14556 1 20 . 1 1 129 129 ASN CB C 129 38.730 38.730 36.877 1.853 26059 14557 1 20 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.470 0.320 26059 14558 1 20 . 1 1 130 130 PRO C C 130 177.470 177.470 176.596 0.874 26059 14559 1 20 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.493 0.081 26059 14560 1 20 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.325 -0.015 26059 14561 1 20 . 1 1 131 131 THR N N 131 113.400 113.400 112.083 1.317 26059 14562 1 20 . 1 1 131 131 THR HA H 131 4.300 4.300 4.262 0.038 26059 14563 1 20 . 1 1 131 131 THR C C 131 175.200 175.200 176.002 -0.802 26059 14564 1 20 . 1 1 131 131 THR CA C 131 62.200 62.200 62.073 0.127 26059 14565 1 20 . 1 1 131 131 THR CB C 131 70.600 70.600 70.342 0.258 26059 14566 1 20 . 1 1 131 131 THR H H 131 8.950 8.950 8.054 0.896 26059 14567 1 20 . 1 1 132 132 GLU N N 132 122.199 122.199 125.034 -2.835 26059 14568 1 20 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.918 0.092 26059 14569 1 20 . 1 1 132 132 GLU C C 132 178.700 178.700 178.053 0.647 26059 14570 1 20 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.492 -0.198 26059 14571 1 20 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.672 -0.510 26059 14572 1 20 . 1 1 132 132 GLU H H 132 8.932 8.932 9.027 -0.095 26059 14573 1 20 . 1 1 133 133 ASP N N 133 116.324 116.324 117.894 -1.570 26059 14574 1 20 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.403 -0.073 26059 14575 1 20 . 1 1 133 133 ASP C C 133 177.800 177.800 178.202 -0.402 26059 14576 1 20 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.622 0.738 26059 14577 1 20 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.726 2.097 26059 14578 1 20 . 1 1 133 133 ASP H H 133 8.490 8.490 8.760 -0.270 26059 14579 1 20 . 1 1 134 134 PHE N N 134 119.914 119.914 122.332 -2.418 26059 14580 1 20 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.158 0.452 26059 14581 1 20 . 1 1 134 134 PHE C C 134 177.300 177.300 176.960 0.340 26059 14582 1 20 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.685 -1.147 26059 14583 1 20 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.334 -0.134 26059 14584 1 20 . 1 1 134 134 PHE H H 134 7.787 7.787 7.432 0.355 26059 14585 1 20 . 1 1 135 135 ARG N N 135 119.794 119.794 120.537 -0.743 26059 14586 1 20 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.791 -0.441 26059 14587 1 20 . 1 1 135 135 ARG C C 135 177.370 177.370 178.031 -0.661 26059 14588 1 20 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.051 0.325 26059 14589 1 20 . 1 1 135 135 ARG CB C 135 30.396 30.396 29.990 0.406 26059 14590 1 20 . 1 1 135 135 ARG H H 135 9.087 9.087 8.245 0.842 26059 14591 1 20 . 1 1 136 136 ARG N N 136 114.554 114.554 118.765 -4.211 26059 14592 1 20 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.974 -0.154 26059 14593 1 20 . 1 1 136 136 ARG C C 136 178.950 178.950 178.607 0.343 26059 14594 1 20 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.527 -0.227 26059 14595 1 20 . 1 1 136 136 ARG CB C 136 30.217 30.217 29.963 0.254 26059 14596 1 20 . 1 1 136 136 ARG H H 136 7.747 7.747 8.128 -0.381 26059 14597 1 20 . 1 1 137 137 LYS N N 137 118.298 118.298 118.890 -0.592 26059 14598 1 20 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.006 -0.106 26059 14599 1 20 . 1 1 137 137 LYS C C 137 177.980 177.980 178.844 -0.864 26059 14600 1 20 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.406 0.989 26059 14601 1 20 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.254 0.193 26059 14602 1 20 . 1 1 137 137 LYS H H 137 7.154 7.154 7.384 -0.230 26059 14603 1 20 . 1 1 138 138 LEU N N 138 117.159 117.159 119.173 -2.014 26059 14604 1 20 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.857 -0.437 26059 14605 1 20 . 1 1 138 138 LEU C C 138 179.100 179.100 178.599 0.501 26059 14606 1 20 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.196 0.035 26059 14607 1 20 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.667 0.661 26059 14608 1 20 . 1 1 138 138 LEU H H 138 7.709 7.709 7.710 -0.001 26059 14609 1 20 . 1 1 139 139 LEU N N 139 115.158 115.158 117.177 -2.019 26059 14610 1 20 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.103 0.047 26059 14611 1 20 . 1 1 139 139 LEU C C 139 177.600 177.600 178.492 -0.892 26059 14612 1 20 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.764 -1.235 26059 14613 1 20 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.915 -0.171 26059 14614 1 20 . 1 1 139 139 LEU H H 139 7.507 7.507 8.221 -0.714 26059 14615 1 20 . 1 1 140 140 LYS N N 140 120.256 120.256 119.122 1.134 26059 14616 1 20 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.040 0.070 26059 14617 1 20 . 1 1 140 140 LYS C C 140 175.800 175.800 177.168 -1.368 26059 14618 1 20 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.249 -0.197 26059 14619 1 20 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.682 -0.036 26059 14620 1 20 . 1 1 140 140 LYS H H 140 7.304 7.304 7.601 -0.297 26059 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 114 3.517 0.916 3.410 26059 2 1 1 "Average Difference" HA 140 0.318 0.040 0.317 26059 3 1 1 "Average Difference" C 110 1.019 0.362 0.957 26059 4 1 1 "Average Difference" CA 135 1.053 -0.180 1.041 26059 5 1 1 "Average Difference" CB 130 1.255 -0.173 1.248 26059 6 1 1 "Average Difference" HN 114 0.604 -0.005 0.606 26059 7 1 2 "Average Difference" N 114 3.579 1.156 3.402 26059 8 1 2 "Average Difference" HA 140 0.315 0.046 0.312 26059 9 1 2 "Average Difference" C 110 1.066 0.345 1.013 26059 10 1 2 "Average Difference" CA 135 1.086 -0.152 1.079 26059 11 1 2 "Average Difference" CB 130 1.273 -0.219 1.259 26059 12 1 2 "Average Difference" HN 114 0.577 0.001 0.579 26059 13 1 3 "Average Difference" N 114 3.444 0.939 3.328 26059 14 1 3 "Average Difference" HA 140 0.333 0.028 0.333 26059 15 1 3 "Average Difference" C 110 1.037 0.361 0.977 26059 16 1 3 "Average Difference" CA 135 1.086 -0.201 1.071 26059 17 1 3 "Average Difference" CB 130 1.278 -0.172 1.271 26059 18 1 3 "Average Difference" HN 114 0.583 0.009 0.585 26059 19 1 4 "Average Difference" N 114 3.393 0.956 3.271 26059 20 1 4 "Average Difference" HA 140 0.313 0.047 0.310 26059 21 1 4 "Average Difference" C 110 1.053 0.363 0.993 26059 22 1 4 "Average Difference" CA 135 1.040 -0.158 1.031 26059 23 1 4 "Average Difference" CB 130 1.227 -0.205 1.214 26059 24 1 4 "Average Difference" HN 114 0.567 -0.016 0.569 26059 25 1 5 "Average Difference" N 114 3.486 1.024 3.347 26059 26 1 5 "Average Difference" HA 140 0.318 0.045 0.316 26059 27 1 5 "Average Difference" C 110 1.046 0.356 0.988 26059 28 1 5 "Average Difference" CA 135 1.055 -0.164 1.046 26059 29 1 5 "Average Difference" CB 130 1.264 -0.215 1.251 26059 30 1 5 "Average Difference" HN 114 0.585 -0.028 0.587 26059 31 1 6 "Average Difference" N 114 3.608 1.010 3.479 26059 32 1 6 "Average Difference" HA 140 0.327 0.037 0.326 26059 33 1 6 "Average Difference" C 110 1.014 0.369 0.948 26059 34 1 6 "Average Difference" CA 135 1.059 -0.115 1.056 26059 35 1 6 "Average Difference" CB 130 1.272 -0.192 1.262 26059 36 1 6 "Average Difference" HN 114 0.572 0.014 0.574 26059 37 1 7 "Average Difference" N 114 3.382 1.093 3.215 26059 38 1 7 "Average Difference" HA 140 0.313 0.034 0.312 26059 39 1 7 "Average Difference" C 110 1.076 0.381 1.011 26059 40 1 7 "Average Difference" CA 135 1.041 -0.157 1.033 26059 41 1 7 "Average Difference" CB 130 1.286 -0.223 1.271 26059 42 1 7 "Average Difference" HN 114 0.556 0.003 0.558 26059 43 1 8 "Average Difference" N 114 3.414 0.974 3.287 26059 44 1 8 "Average Difference" HA 140 0.311 0.056 0.307 26059 45 1 8 "Average Difference" C 110 1.001 0.287 0.963 26059 46 1 8 "Average Difference" CA 135 1.068 -0.213 1.050 26059 47 1 8 "Average Difference" CB 130 1.293 -0.069 1.296 26059 48 1 8 "Average Difference" HN 114 0.558 -0.019 0.560 26059 49 1 9 "Average Difference" N 114 3.560 0.961 3.443 26059 50 1 9 "Average Difference" HA 140 0.327 0.042 0.325 26059 51 1 9 "Average Difference" C 110 1.046 0.347 0.992 26059 52 1 9 "Average Difference" CA 135 1.071 -0.172 1.061 26059 53 1 9 "Average Difference" CB 130 1.276 -0.180 1.268 26059 54 1 9 "Average Difference" HN 114 0.540 0.018 0.542 26059 55 1 10 "Average Difference" N 114 3.594 1.026 3.460 26059 56 1 10 "Average Difference" HA 140 0.309 0.034 0.308 26059 57 1 10 "Average Difference" C 110 1.036 0.347 0.981 26059 58 1 10 "Average Difference" CA 135 1.054 -0.151 1.047 26059 59 1 10 "Average Difference" CB 130 1.255 -0.160 1.250 26059 60 1 10 "Average Difference" HN 114 0.544 0.006 0.547 26059 61 1 11 "Average Difference" N 114 3.380 0.985 3.248 26059 62 1 11 "Average Difference" HA 140 0.307 0.045 0.305 26059 63 1 11 "Average Difference" C 110 1.043 0.328 0.995 26059 64 1 11 "Average Difference" CA 135 1.036 -0.128 1.032 26059 65 1 11 "Average Difference" CB 130 1.283 -0.118 1.282 26059 66 1 11 "Average Difference" HN 114 0.556 -0.007 0.559 26059 67 1 12 "Average Difference" N 114 3.552 0.886 3.455 26059 68 1 12 "Average Difference" HA 140 0.323 0.042 0.321 26059 69 1 12 "Average Difference" C 110 1.065 0.349 1.011 26059 70 1 12 "Average Difference" CA 135 1.052 -0.185 1.040 26059 71 1 12 "Average Difference" CB 130 1.224 -0.162 1.218 26059 72 1 12 "Average Difference" HN 114 0.533 -0.009 0.535 26059 73 1 13 "Average Difference" N 114 3.390 0.736 3.324 26059 74 1 13 "Average Difference" HA 140 0.318 0.038 0.317 26059 75 1 13 "Average Difference" C 110 1.064 0.370 1.002 26059 76 1 13 "Average Difference" CA 135 1.052 -0.173 1.041 26059 77 1 13 "Average Difference" CB 130 1.260 -0.194 1.250 26059 78 1 13 "Average Difference" HN 114 0.543 -0.015 0.545 26059 79 1 14 "Average Difference" N 114 3.442 0.871 3.345 26059 80 1 14 "Average Difference" HA 140 0.335 0.042 0.333 26059 81 1 14 "Average Difference" C 110 1.062 0.379 0.997 26059 82 1 14 "Average Difference" CA 135 1.074 -0.187 1.061 26059 83 1 14 "Average Difference" CB 130 1.247 -0.227 1.231 26059 84 1 14 "Average Difference" HN 114 0.551 -0.029 0.553 26059 85 1 15 "Average Difference" N 114 3.341 0.893 3.234 26059 86 1 15 "Average Difference" HA 140 0.327 0.045 0.325 26059 87 1 15 "Average Difference" C 110 1.030 0.340 0.977 26059 88 1 15 "Average Difference" CA 135 1.056 -0.178 1.044 26059 89 1 15 "Average Difference" CB 130 1.297 -0.178 1.290 26059 90 1 15 "Average Difference" HN 114 0.563 -0.009 0.565 26059 91 1 16 "Average Difference" N 114 3.541 1.016 3.407 26059 92 1 16 "Average Difference" HA 140 0.320 0.021 0.321 26059 93 1 16 "Average Difference" C 110 1.050 0.346 0.996 26059 94 1 16 "Average Difference" CA 135 1.015 -0.144 1.009 26059 95 1 16 "Average Difference" CB 130 1.260 -0.161 1.254 26059 96 1 16 "Average Difference" HN 114 0.571 -0.016 0.573 26059 97 1 17 "Average Difference" N 114 3.487 0.984 3.361 26059 98 1 17 "Average Difference" HA 140 0.310 0.033 0.310 26059 99 1 17 "Average Difference" C 110 1.059 0.376 0.994 26059 100 1 17 "Average Difference" CA 135 1.107 -0.128 1.104 26059 101 1 17 "Average Difference" CB 130 1.324 -0.164 1.319 26059 102 1 17 "Average Difference" HN 114 0.538 0.023 0.540 26059 103 1 18 "Average Difference" N 114 3.426 0.943 3.308 26059 104 1 18 "Average Difference" HA 140 0.302 0.038 0.301 26059 105 1 18 "Average Difference" C 110 1.049 0.350 0.993 26059 106 1 18 "Average Difference" CA 135 1.062 -0.130 1.057 26059 107 1 18 "Average Difference" CB 130 1.278 -0.168 1.272 26059 108 1 18 "Average Difference" HN 114 0.543 -0.021 0.545 26059 109 1 19 "Average Difference" N 114 3.481 0.974 3.357 26059 110 1 19 "Average Difference" HA 140 0.324 0.025 0.324 26059 111 1 19 "Average Difference" C 110 1.054 0.407 0.977 26059 112 1 19 "Average Difference" CA 135 1.030 -0.101 1.029 26059 113 1 19 "Average Difference" CB 130 1.310 -0.220 1.296 26059 114 1 19 "Average Difference" HN 114 0.569 0.008 0.572 26059 115 1 20 "Average Difference" N 114 3.407 1.017 3.266 26059 116 1 20 "Average Difference" HA 140 0.307 0.031 0.307 26059 117 1 20 "Average Difference" C 110 1.011 0.380 0.941 26059 118 1 20 "Average Difference" CA 135 1.081 -0.161 1.073 26059 119 1 20 "Average Difference" CB 130 1.320 -0.299 1.291 26059 120 1 20 "Average Difference" HN 114 0.551 -0.014 0.554 26059 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 26059 _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 4 4 MET C C 4 175.800 175.800 175.776 0.024 26059 2 1 . 1 1 4 4 MET CA C 4 55.350 55.350 55.624 -0.274 26059 3 1 . 1 1 4 4 MET CB C 4 32.880 32.880 32.727 0.153 26059 4 1 . 1 1 5 5 ALA N N 5 125.230 125.230 123.946 1.284 26059 5 1 . 1 1 5 5 ALA HA H 5 4.350 4.350 4.346 0.004 26059 6 1 . 1 1 5 5 ALA CA C 5 52.430 52.430 52.251 0.179 26059 7 1 . 1 1 5 5 ALA CB C 5 19.370 19.370 18.843 0.527 26059 8 1 . 1 1 5 5 ALA H H 5 8.320 8.320 8.192 0.128 26059 9 1 . 1 1 6 6 SER HA H 6 4.490 4.490 4.483 0.007 26059 10 1 . 1 1 6 6 SER CA C 6 58.200 58.200 57.714 0.486 26059 11 1 . 1 1 6 6 SER CB C 6 63.700 63.700 63.411 0.290 26059 12 1 . 1 1 7 7 SER HA H 7 4.530 4.530 4.816 -0.286 26059 13 1 . 1 1 7 7 SER CA C 7 58.200 58.200 58.461 -0.261 26059 14 1 . 1 1 7 7 SER CB C 7 63.700 63.700 63.330 0.370 26059 15 1 . 1 1 8 8 CYS HA H 8 4.610 4.610 4.624 -0.014 26059 16 1 . 1 1 8 8 CYS C C 8 173.500 173.500 173.194 0.306 26059 17 1 . 1 1 8 8 CYS CA C 8 58.340 58.340 57.812 0.528 26059 18 1 . 1 1 8 8 CYS CB C 8 28.490 28.490 28.975 -0.485 26059 19 1 . 1 1 9 9 ALA N N 9 124.700 124.700 129.483 -4.783 26059 20 1 . 1 1 9 9 ALA HA H 9 4.790 4.790 5.181 -0.391 26059 21 1 . 1 1 9 9 ALA C C 9 177.400 177.400 176.390 1.010 26059 22 1 . 1 1 9 9 ALA CA C 9 52.070 52.070 50.625 1.445 26059 23 1 . 1 1 9 9 ALA CB C 9 20.629 20.629 20.774 -0.145 26059 24 1 . 1 1 9 9 ALA H H 9 7.960 7.960 8.360 -0.400 26059 25 1 . 1 1 10 10 VAL N N 10 120.124 120.124 122.951 -2.827 26059 26 1 . 1 1 10 10 VAL HA H 10 4.290 4.290 4.314 -0.024 26059 27 1 . 1 1 10 10 VAL C C 10 173.900 173.900 174.917 -1.017 26059 28 1 . 1 1 10 10 VAL CA C 10 61.550 61.550 61.119 0.431 26059 29 1 . 1 1 10 10 VAL CB C 10 34.900 34.900 33.568 1.332 26059 30 1 . 1 1 10 10 VAL H H 10 8.424 8.424 8.551 -0.127 26059 31 1 . 1 1 11 11 GLN N N 11 125.818 125.818 124.262 1.556 26059 32 1 . 1 1 11 11 GLN HA H 11 5.560 5.560 5.327 0.233 26059 33 1 . 1 1 11 11 GLN C C 11 175.400 175.400 175.339 0.061 26059 34 1 . 1 1 11 11 GLN CA C 11 54.123 54.123 54.344 -0.221 26059 35 1 . 1 1 11 11 GLN CB C 11 32.029 32.029 30.895 1.134 26059 36 1 . 1 1 11 11 GLN H H 11 8.636 8.636 8.414 0.222 26059 37 1 . 1 1 12 12 VAL N N 12 119.106 119.106 118.236 0.870 26059 38 1 . 1 1 12 12 VAL HA H 12 4.630 4.630 4.371 0.259 26059 39 1 . 1 1 12 12 VAL C C 12 173.800 173.800 174.559 -0.759 26059 40 1 . 1 1 12 12 VAL CA C 12 59.800 59.800 59.612 0.188 26059 41 1 . 1 1 12 12 VAL CB C 12 35.711 35.711 33.781 1.930 26059 42 1 . 1 1 12 12 VAL H H 12 8.827 8.827 8.623 0.204 26059 43 1 . 1 1 13 13 LYS N N 13 121.700 121.700 121.459 0.241 26059 44 1 . 1 1 13 13 LYS HA H 13 5.200 5.200 5.322 -0.122 26059 45 1 . 1 1 13 13 LYS C C 13 175.030 175.030 175.398 -0.368 26059 46 1 . 1 1 13 13 LYS CA C 13 55.430 55.430 55.337 0.093 26059 47 1 . 1 1 13 13 LYS CB C 13 35.920 35.920 35.366 0.554 26059 48 1 . 1 1 13 13 LYS H H 13 8.234 8.234 8.409 -0.175 26059 49 1 . 1 1 14 14 LEU N N 14 119.100 119.100 123.546 -4.446 26059 50 1 . 1 1 14 14 LEU HA H 14 4.950 4.950 5.271 -0.321 26059 51 1 . 1 1 14 14 LEU C C 14 175.110 175.110 175.402 -0.292 26059 52 1 . 1 1 14 14 LEU CA C 14 53.357 53.357 53.304 0.053 26059 53 1 . 1 1 14 14 LEU CB C 14 46.921 46.921 45.887 1.034 26059 54 1 . 1 1 14 14 LEU H H 14 8.840 8.840 9.013 -0.173 26059 55 1 . 1 1 15 15 GLU N N 15 120.978 120.978 123.257 -2.279 26059 56 1 . 1 1 15 15 GLU HA H 15 4.990 4.990 5.319 -0.329 26059 57 1 . 1 1 15 15 GLU C C 15 173.800 173.800 174.986 -1.186 26059 58 1 . 1 1 15 15 GLU CA C 15 55.428 55.428 54.292 1.136 26059 59 1 . 1 1 15 15 GLU CB C 15 31.826 31.826 32.529 -0.703 26059 60 1 . 1 1 15 15 GLU H H 15 9.181 9.181 9.179 0.002 26059 61 1 . 1 1 16 16 LEU N N 16 124.438 124.438 127.611 -3.173 26059 62 1 . 1 1 16 16 LEU HA H 16 5.110 5.110 5.235 -0.125 26059 63 1 . 1 1 16 16 LEU C C 16 174.700 174.700 176.065 -1.365 26059 64 1 . 1 1 16 16 LEU CA C 16 53.076 53.076 52.828 0.248 26059 65 1 . 1 1 16 16 LEU CB C 16 44.892 44.892 41.107 3.785 26059 66 1 . 1 1 16 16 LEU H H 16 8.891 8.891 8.387 0.504 26059 67 1 . 1 1 17 17 GLY N N 17 108.067 108.067 110.834 -2.767 26059 68 1 . 1 1 17 17 GLY C C 17 170.350 170.350 171.619 -1.269 26059 69 1 . 1 1 17 17 GLY CA C 17 46.984 46.984 44.629 2.355 26059 70 1 . 1 1 17 17 GLY H H 17 7.227 7.227 8.873 -1.646 26059 71 1 . 1 1 18 18 HIS N N 18 111.200 111.200 116.705 -5.505 26059 72 1 . 1 1 18 18 HIS HA H 18 5.620 5.620 5.101 0.519 26059 73 1 . 1 1 18 18 HIS C C 18 172.400 172.400 172.603 -0.202 26059 74 1 . 1 1 18 18 HIS CA C 18 54.940 54.940 54.904 0.036 26059 75 1 . 1 1 18 18 HIS CB C 18 34.160 34.160 32.522 1.638 26059 76 1 . 1 1 18 18 HIS H H 18 8.150 8.150 8.548 -0.398 26059 77 1 . 1 1 19 19 ARG N N 19 117.800 117.800 120.758 -2.958 26059 78 1 . 1 1 19 19 ARG HA H 19 5.100 5.100 5.295 -0.195 26059 79 1 . 1 1 19 19 ARG C C 19 175.800 175.800 174.520 1.280 26059 80 1 . 1 1 19 19 ARG CA C 19 53.500 53.500 54.036 -0.536 26059 81 1 . 1 1 19 19 ARG CB C 19 34.650 34.650 34.182 0.468 26059 82 1 . 1 1 19 19 ARG H H 19 9.010 9.010 8.576 0.434 26059 83 1 . 1 1 20 20 ALA N N 20 120.390 120.390 124.994 -4.604 26059 84 1 . 1 1 20 20 ALA HA H 20 5.540 5.540 5.215 0.325 26059 85 1 . 1 1 20 20 ALA C C 20 175.800 175.800 175.289 0.511 26059 86 1 . 1 1 20 20 ALA CA C 20 51.590 51.590 50.810 0.780 26059 87 1 . 1 1 20 20 ALA CB C 20 23.750 23.750 22.363 1.387 26059 88 1 . 1 1 20 20 ALA H H 20 8.070 8.070 8.729 -0.659 26059 89 1 . 1 1 21 21 GLN N N 21 121.790 121.790 123.405 -1.614 26059 90 1 . 1 1 21 21 GLN HA H 21 5.230 5.230 5.047 0.183 26059 91 1 . 1 1 21 21 GLN CA C 21 54.330 54.330 53.930 0.400 26059 92 1 . 1 1 21 21 GLN CB C 21 32.900 32.900 32.917 -0.017 26059 93 1 . 1 1 21 21 GLN H H 21 9.240 9.240 8.743 0.497 26059 94 1 . 1 1 22 22 VAL HA H 22 3.630 3.630 4.405 -0.775 26059 95 1 . 1 1 22 22 VAL C C 22 176.500 176.500 175.301 1.199 26059 96 1 . 1 1 22 22 VAL CA C 22 63.030 63.030 60.150 2.880 26059 97 1 . 1 1 22 22 VAL CB C 22 31.600 31.600 34.205 -2.605 26059 98 1 . 1 1 23 23 ARG N N 23 127.840 127.840 125.429 2.411 26059 99 1 . 1 1 23 23 ARG HA H 23 4.130 4.130 4.629 -0.499 26059 100 1 . 1 1 23 23 ARG CA C 23 56.200 56.200 54.948 1.252 26059 101 1 . 1 1 23 23 ARG CB C 23 32.150 32.150 31.177 0.973 26059 102 1 . 1 1 23 23 ARG H H 23 8.720 8.720 8.753 -0.034 26059 103 1 . 1 1 24 24 LYS HA H 24 4.040 4.040 4.167 -0.127 26059 104 1 . 1 1 24 24 LYS C C 24 176.960 176.960 176.453 0.507 26059 105 1 . 1 1 24 24 LYS CA C 24 58.800 58.800 57.885 0.915 26059 106 1 . 1 1 24 24 LYS CB C 24 32.060 32.060 32.656 -0.596 26059 107 1 . 1 1 25 25 LYS N N 25 115.870 115.870 119.477 -3.607 26059 108 1 . 1 1 25 25 LYS HA H 25 4.830 4.830 4.721 0.109 26059 109 1 . 1 1 25 25 LYS CA C 25 52.960 52.960 53.425 -0.465 26059 110 1 . 1 1 25 25 LYS CB C 25 35.080 35.080 33.512 1.568 26059 111 1 . 1 1 25 25 LYS H H 25 7.720 7.720 7.671 0.049 26059 112 1 . 1 1 26 26 PRO HA H 26 4.830 4.830 4.542 0.288 26059 113 1 . 1 1 26 26 PRO C C 26 177.400 177.400 176.928 0.472 26059 114 1 . 1 1 26 26 PRO CA C 26 62.650 62.650 63.135 -0.485 26059 115 1 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.251 0.139 26059 116 1 . 1 1 27 27 THR N N 27 111.270 111.270 114.816 -3.546 26059 117 1 . 1 1 27 27 THR HA H 27 4.530 4.530 4.267 0.263 26059 118 1 . 1 1 27 27 THR C C 27 177.300 177.300 176.994 0.306 26059 119 1 . 1 1 27 27 THR CA C 27 61.300 61.300 61.305 -0.005 26059 120 1 . 1 1 27 27 THR CB C 27 71.460 71.460 69.964 1.496 26059 121 1 . 1 1 27 27 THR H H 27 8.380 8.380 8.278 0.102 26059 122 1 . 1 1 28 28 VAL N N 28 121.170 121.170 119.080 2.090 26059 123 1 . 1 1 28 28 VAL HA H 28 3.883 3.883 3.949 -0.066 26059 124 1 . 1 1 28 28 VAL C C 28 177.030 177.030 176.056 0.974 26059 125 1 . 1 1 28 28 VAL CA C 28 65.200 65.200 64.742 0.458 26059 126 1 . 1 1 28 28 VAL CB C 28 31.400 31.400 31.582 -0.182 26059 127 1 . 1 1 28 28 VAL H H 28 8.910 8.910 8.487 0.423 26059 128 1 . 1 1 29 29 GLU N N 29 116.800 116.800 119.894 -3.095 26059 129 1 . 1 1 29 29 GLU HA H 29 3.920 3.920 4.082 -0.162 26059 130 1 . 1 1 29 29 GLU C C 29 176.200 176.200 176.479 -0.279 26059 131 1 . 1 1 29 29 GLU CA C 29 57.250 57.250 55.485 1.765 26059 132 1 . 1 1 29 29 GLU CB C 29 28.170 28.170 28.538 -0.368 26059 133 1 . 1 1 29 29 GLU H H 29 7.990 7.990 8.001 -0.011 26059 134 1 . 1 1 30 30 GLY N N 30 105.500 105.500 107.521 -2.021 26059 135 1 . 1 1 30 30 GLY C C 30 174.900 174.900 173.905 0.995 26059 136 1 . 1 1 30 30 GLY CA C 30 44.460 44.460 45.321 -0.861 26059 137 1 . 1 1 30 30 GLY H H 30 7.950 7.950 7.667 0.283 26059 138 1 . 1 1 31 31 PHE N N 31 119.300 119.300 118.645 0.655 26059 139 1 . 1 1 31 31 PHE HA H 31 4.760 4.760 4.906 -0.146 26059 140 1 . 1 1 31 31 PHE C C 31 176.400 176.400 176.221 0.179 26059 141 1 . 1 1 31 31 PHE CA C 31 55.900 55.900 54.570 1.330 26059 142 1 . 1 1 31 31 PHE CB C 31 35.500 35.500 39.849 -4.349 26059 143 1 . 1 1 31 31 PHE H H 31 7.520 7.520 7.473 0.047 26059 144 1 . 1 1 32 32 THR N N 32 112.300 112.300 116.080 -3.780 26059 145 1 . 1 1 32 32 THR HA H 32 4.330 4.330 4.375 -0.045 26059 146 1 . 1 1 32 32 THR C C 32 175.200 175.200 174.377 0.823 26059 147 1 . 1 1 32 32 THR CA C 32 62.780 62.780 63.184 -0.404 26059 148 1 . 1 1 32 32 THR CB C 32 70.350 70.350 69.627 0.723 26059 149 1 . 1 1 32 32 THR H H 32 7.770 7.770 8.871 -1.101 26059 150 1 . 1 1 33 33 HIS N N 33 121.900 121.900 120.728 1.172 26059 151 1 . 1 1 33 33 HIS HA H 33 5.500 5.500 5.431 0.069 26059 152 1 . 1 1 33 33 HIS C C 33 173.880 173.880 173.658 0.222 26059 153 1 . 1 1 33 33 HIS CA C 33 56.780 56.780 55.880 0.900 26059 154 1 . 1 1 33 33 HIS CB C 33 35.640 35.640 33.309 2.331 26059 155 1 . 1 1 33 33 HIS H H 33 9.110 9.110 8.713 0.397 26059 156 1 . 1 1 34 34 ASP N N 34 120.300 120.300 122.541 -2.241 26059 157 1 . 1 1 34 34 ASP HA H 34 5.400 5.400 5.511 -0.111 26059 158 1 . 1 1 34 34 ASP C C 34 175.100 175.100 175.186 -0.086 26059 159 1 . 1 1 34 34 ASP CA C 34 53.310 53.310 53.621 -0.311 26059 160 1 . 1 1 34 34 ASP CB C 34 43.000 43.000 43.261 -0.261 26059 161 1 . 1 1 34 34 ASP H H 34 8.810 8.810 8.959 -0.149 26059 162 1 . 1 1 35 35 TRP N N 35 119.800 119.800 122.021 -2.221 26059 163 1 . 1 1 35 35 TRP HA H 35 5.730 5.730 5.695 0.035 26059 164 1 . 1 1 35 35 TRP C C 35 174.900 174.900 173.621 1.279 26059 165 1 . 1 1 35 35 TRP CA C 35 54.900 54.900 54.348 0.552 26059 166 1 . 1 1 35 35 TRP CB C 35 34.670 34.670 32.880 1.790 26059 167 1 . 1 1 35 35 TRP H H 35 9.250 9.250 8.853 0.397 26059 168 1 . 1 1 36 36 MET N N 36 120.980 120.980 123.727 -2.747 26059 169 1 . 1 1 36 36 MET HA H 36 5.750 5.750 5.885 -0.135 26059 170 1 . 1 1 36 36 MET C C 36 173.700 173.700 174.734 -1.034 26059 171 1 . 1 1 36 36 MET CA C 36 54.830 54.830 53.764 1.066 26059 172 1 . 1 1 36 36 MET CB C 36 35.220 35.220 35.964 -0.744 26059 173 1 . 1 1 36 36 MET H H 36 9.080 9.080 8.955 0.125 26059 174 1 . 1 1 37 37 VAL N N 37 126.220 126.220 122.149 4.071 26059 175 1 . 1 1 37 37 VAL HA H 37 5.310 5.310 5.129 0.181 26059 176 1 . 1 1 37 37 VAL C C 37 172.300 172.300 174.464 -2.164 26059 177 1 . 1 1 37 37 VAL CA C 37 58.540 58.540 59.648 -1.107 26059 178 1 . 1 1 37 37 VAL CB C 37 35.070 35.070 33.249 1.821 26059 179 1 . 1 1 37 37 VAL H H 37 9.080 9.080 8.875 0.205 26059 180 1 . 1 1 38 38 PHE N N 38 120.640 120.640 118.694 1.946 26059 181 1 . 1 1 38 38 PHE HA H 38 5.970 5.970 6.017 -0.047 26059 182 1 . 1 1 38 38 PHE C C 38 172.960 172.960 173.572 -0.612 26059 183 1 . 1 1 38 38 PHE CA C 38 56.130 56.130 55.447 0.683 26059 184 1 . 1 1 38 38 PHE CB C 38 43.000 43.000 42.541 0.459 26059 185 1 . 1 1 38 38 PHE H H 38 8.320 8.320 8.745 -0.425 26059 186 1 . 1 1 39 39 VAL N N 39 116.500 116.500 117.645 -1.145 26059 187 1 . 1 1 39 39 VAL HA H 39 5.010 5.010 5.854 -0.844 26059 188 1 . 1 1 39 39 VAL C C 39 174.700 174.700 174.855 -0.155 26059 189 1 . 1 1 39 39 VAL CA C 39 61.640 61.640 60.027 1.613 26059 190 1 . 1 1 39 39 VAL CB C 39 35.400 35.400 35.046 0.354 26059 191 1 . 1 1 39 39 VAL H H 39 8.580 8.580 9.020 -0.440 26059 192 1 . 1 1 40 40 ARG N N 40 124.100 124.100 123.749 0.351 26059 193 1 . 1 1 40 40 ARG HA H 40 5.080 5.080 5.014 0.066 26059 194 1 . 1 1 40 40 ARG C C 40 173.800 173.800 175.390 -1.590 26059 195 1 . 1 1 40 40 ARG CA C 40 54.300 54.300 53.796 0.505 26059 196 1 . 1 1 40 40 ARG CB C 40 33.580 33.580 34.087 -0.507 26059 197 1 . 1 1 40 40 ARG H H 40 9.880 9.880 8.832 1.048 26059 198 1 . 1 1 41 41 GLY N N 41 107.640 107.640 107.802 -0.162 26059 199 1 . 1 1 41 41 GLY CA C 41 43.970 43.970 42.895 1.075 26059 200 1 . 1 1 41 41 GLY H H 41 8.910 8.910 8.106 0.804 26059 201 1 . 1 1 42 42 PRO HA H 42 4.490 4.490 4.379 0.111 26059 202 1 . 1 1 42 42 PRO C C 42 177.300 177.300 176.201 1.099 26059 203 1 . 1 1 42 42 PRO CA C 42 62.440 62.440 63.330 -0.889 26059 204 1 . 1 1 42 42 PRO CB C 42 32.110 32.110 31.508 0.603 26059 205 1 . 1 1 43 43 GLU N N 43 121.050 121.050 122.541 -1.491 26059 206 1 . 1 1 43 43 GLU HA H 43 3.790 3.790 3.967 -0.177 26059 207 1 . 1 1 43 43 GLU C C 43 176.110 176.110 175.633 0.477 26059 208 1 . 1 1 43 43 GLU CA C 43 57.850 57.850 57.618 0.232 26059 209 1 . 1 1 43 43 GLU CB C 43 27.850 27.850 27.130 0.720 26059 210 1 . 1 1 43 43 GLU H H 43 9.060 9.060 8.994 0.066 26059 211 1 . 1 1 44 44 HIS N N 44 114.100 114.100 111.931 2.169 26059 212 1 . 1 1 44 44 HIS HA H 44 4.351 4.351 4.115 0.236 26059 213 1 . 1 1 44 44 HIS C C 44 175.170 175.170 174.390 0.780 26059 214 1 . 1 1 44 44 HIS CA C 44 57.650 57.650 57.329 0.320 26059 215 1 . 1 1 44 44 HIS CB C 44 28.370 28.370 28.981 -0.611 26059 216 1 . 1 1 44 44 HIS H H 44 8.420 8.420 8.438 -0.018 26059 217 1 . 1 1 45 45 SER N N 45 115.540 115.540 116.259 -0.719 26059 218 1 . 1 1 45 45 SER HA H 45 4.560 4.560 4.352 0.208 26059 219 1 . 1 1 45 45 SER C C 45 173.700 173.700 174.072 -0.372 26059 220 1 . 1 1 45 45 SER CA C 45 58.710 58.710 59.478 -0.768 26059 221 1 . 1 1 45 45 SER CB C 45 64.500 64.500 63.952 0.548 26059 222 1 . 1 1 45 45 SER H H 45 7.870 7.870 7.550 0.320 26059 223 1 . 1 1 46 46 ASN N N 46 123.900 123.900 123.146 0.754 26059 224 1 . 1 1 46 46 ASN HA H 46 5.120 5.120 4.657 0.463 26059 225 1 . 1 1 46 46 ASN C C 46 176.300 176.300 175.709 0.591 26059 226 1 . 1 1 46 46 ASN CA C 46 52.690 52.690 53.546 -0.856 26059 227 1 . 1 1 46 46 ASN CB C 46 38.730 38.730 39.255 -0.525 26059 228 1 . 1 1 46 46 ASN H H 46 9.480 9.480 8.741 0.739 26059 229 1 . 1 1 47 47 ILE N N 47 115.240 115.240 119.271 -4.031 26059 230 1 . 1 1 47 47 ILE HA H 47 3.940 3.940 4.055 -0.115 26059 231 1 . 1 1 47 47 ILE C C 47 176.000 176.000 176.737 -0.737 26059 232 1 . 1 1 47 47 ILE CA C 47 63.200 63.200 61.645 1.555 26059 233 1 . 1 1 47 47 ILE CB C 47 36.700 36.700 37.418 -0.718 26059 234 1 . 1 1 47 47 ILE H H 47 8.170 8.170 8.444 -0.274 26059 235 1 . 1 1 48 48 GLN N N 48 123.200 123.200 120.636 2.564 26059 236 1 . 1 1 48 48 GLN HA H 48 4.280 4.280 4.191 0.089 26059 237 1 . 1 1 48 48 GLN C C 48 175.670 175.670 176.981 -1.311 26059 238 1 . 1 1 48 48 GLN CA C 48 57.900 57.900 58.283 -0.383 26059 239 1 . 1 1 48 48 GLN CB C 48 26.990 26.990 27.809 -0.820 26059 240 1 . 1 1 48 48 GLN H H 48 8.850 8.850 8.316 0.534 26059 241 1 . 1 1 49 49 HIS N N 49 115.400 115.400 117.372 -1.972 26059 242 1 . 1 1 49 49 HIS HA H 49 4.570 4.570 4.368 0.202 26059 243 1 . 1 1 49 49 HIS C C 49 176.380 176.380 176.889 -0.509 26059 244 1 . 1 1 49 49 HIS CA C 49 58.750 58.750 59.262 -0.512 26059 245 1 . 1 1 49 49 HIS CB C 49 31.620 31.620 30.332 1.288 26059 246 1 . 1 1 49 49 HIS H H 49 7.400 7.400 7.883 -0.483 26059 247 1 . 1 1 50 50 PHE N N 50 109.800 109.800 112.763 -2.963 26059 248 1 . 1 1 50 50 PHE HA H 50 5.230 5.230 4.847 0.383 26059 249 1 . 1 1 50 50 PHE C C 50 173.800 173.800 174.719 -0.919 26059 250 1 . 1 1 50 50 PHE CA C 50 56.660 56.660 57.199 -0.539 26059 251 1 . 1 1 50 50 PHE CB C 50 41.000 41.000 39.976 1.024 26059 252 1 . 1 1 50 50 PHE H H 50 7.570 7.570 7.559 0.011 26059 253 1 . 1 1 51 51 VAL N N 51 127.810 127.810 121.308 6.502 26059 254 1 . 1 1 51 51 VAL HA H 51 4.370 4.370 4.662 -0.292 26059 255 1 . 1 1 51 51 VAL C C 51 174.500 174.500 175.456 -0.956 26059 256 1 . 1 1 51 51 VAL CA C 51 63.000 63.000 62.782 0.218 26059 257 1 . 1 1 51 51 VAL CB C 51 33.280 33.280 32.686 0.594 26059 258 1 . 1 1 51 51 VAL H H 51 7.810 7.810 8.098 -0.288 26059 259 1 . 1 1 52 52 GLU N N 52 130.700 130.700 128.950 1.750 26059 260 1 . 1 1 52 52 GLU HA H 52 3.980 3.980 4.479 -0.499 26059 261 1 . 1 1 52 52 GLU C C 52 175.400 175.400 175.487 -0.087 26059 262 1 . 1 1 52 52 GLU CA C 52 58.000 58.000 57.321 0.679 26059 263 1 . 1 1 52 52 GLU CB C 52 31.580 31.580 31.882 -0.302 26059 264 1 . 1 1 52 52 GLU H H 52 9.380 9.380 9.049 0.331 26059 265 1 . 1 1 53 53 LYS N N 53 109.200 109.200 117.252 -8.052 26059 266 1 . 1 1 53 53 LYS HA H 53 4.800 4.800 4.839 -0.040 26059 267 1 . 1 1 53 53 LYS C C 53 172.300 172.300 174.397 -2.097 26059 268 1 . 1 1 53 53 LYS CA C 53 54.840 54.840 55.016 -0.176 26059 269 1 . 1 1 53 53 LYS CB C 53 34.250 34.250 35.899 -1.649 26059 270 1 . 1 1 53 53 LYS H H 53 7.190 7.190 7.489 -0.299 26059 271 1 . 1 1 54 54 VAL N N 54 120.380 120.380 120.802 -0.422 26059 272 1 . 1 1 54 54 VAL HA H 54 4.770 4.770 4.815 -0.045 26059 273 1 . 1 1 54 54 VAL C C 54 173.600 173.600 173.847 -0.247 26059 274 1 . 1 1 54 54 VAL CA C 54 61.040 61.040 60.224 0.816 26059 275 1 . 1 1 54 54 VAL CB C 54 34.700 34.700 35.893 -1.193 26059 276 1 . 1 1 54 54 VAL H H 54 8.450 8.450 8.422 0.028 26059 277 1 . 1 1 55 55 VAL N N 55 126.920 126.920 121.644 5.276 26059 278 1 . 1 1 55 55 VAL HA H 55 4.700 4.700 5.221 -0.521 26059 279 1 . 1 1 55 55 VAL C C 55 173.800 173.800 173.433 0.367 26059 280 1 . 1 1 55 55 VAL CA C 55 60.870 60.870 59.526 1.344 26059 281 1 . 1 1 55 55 VAL CB C 55 34.100 34.100 35.837 -1.737 26059 282 1 . 1 1 55 55 VAL H H 55 9.260 9.260 8.533 0.727 26059 283 1 . 1 1 56 56 PHE N N 56 126.130 126.130 127.276 -1.146 26059 284 1 . 1 1 56 56 PHE HA H 56 4.722 4.722 4.873 -0.151 26059 285 1 . 1 1 56 56 PHE C C 56 174.000 174.000 174.928 -0.928 26059 286 1 . 1 1 56 56 PHE CA C 56 56.580 56.580 56.087 0.493 26059 287 1 . 1 1 56 56 PHE CB C 56 40.890 40.890 40.518 0.372 26059 288 1 . 1 1 56 56 PHE H H 56 9.290 9.290 9.053 0.237 26059 289 1 . 1 1 57 57 HIS N N 57 124.180 124.180 125.299 -1.119 26059 290 1 . 1 1 57 57 HIS HA H 57 4.800 4.800 4.899 -0.099 26059 291 1 . 1 1 57 57 HIS C C 57 174.700 174.700 175.118 -0.418 26059 292 1 . 1 1 57 57 HIS CA C 57 55.320 55.320 56.703 -1.383 26059 293 1 . 1 1 57 57 HIS CB C 57 30.100 30.100 28.075 2.024 26059 294 1 . 1 1 57 57 HIS H H 57 8.690 8.690 8.305 0.385 26059 295 1 . 1 1 58 58 LEU N N 58 122.050 122.050 124.222 -2.172 26059 296 1 . 1 1 58 58 LEU HA H 58 4.310 4.310 4.506 -0.196 26059 297 1 . 1 1 58 58 LEU C C 58 174.400 174.400 176.981 -2.581 26059 298 1 . 1 1 58 58 LEU CA C 58 55.410 55.410 54.452 0.958 26059 299 1 . 1 1 58 58 LEU CB C 58 41.160 41.160 42.736 -1.576 26059 300 1 . 1 1 58 58 LEU H H 58 9.050 9.050 8.709 0.341 26059 301 1 . 1 1 59 59 HIS N N 59 118.510 118.510 118.272 0.238 26059 302 1 . 1 1 59 59 HIS C C 59 175.300 175.300 176.741 -1.441 26059 303 1 . 1 1 59 59 HIS CA C 59 59.110 59.110 55.848 3.262 26059 304 1 . 1 1 59 59 HIS CB C 59 30.930 30.930 31.099 -0.170 26059 305 1 . 1 1 59 59 HIS H H 59 5.160 5.160 7.953 -2.793 26059 306 1 . 1 1 60 60 GLU N N 60 122.190 122.190 125.136 -2.946 26059 307 1 . 1 1 60 60 GLU HA H 60 3.960 3.960 4.081 -0.121 26059 308 1 . 1 1 60 60 GLU C C 60 175.130 175.130 177.204 -2.074 26059 309 1 . 1 1 60 60 GLU CA C 60 59.010 59.010 59.101 -0.091 26059 310 1 . 1 1 60 60 GLU CB C 60 28.820 28.820 28.805 0.015 26059 311 1 . 1 1 60 60 GLU H H 60 7.960 7.960 8.547 -0.587 26059 312 1 . 1 1 61 61 SER N N 61 116.940 116.940 113.087 3.853 26059 313 1 . 1 1 61 61 SER HA H 61 4.200 4.200 4.373 -0.173 26059 314 1 . 1 1 61 61 SER CA C 61 60.010 60.010 59.461 0.549 26059 315 1 . 1 1 61 61 SER CB C 61 63.140 63.140 63.632 -0.492 26059 316 1 . 1 1 61 61 SER H H 61 8.540 8.540 8.081 0.459 26059 317 1 . 1 1 62 62 PHE N N 62 123.700 123.700 122.659 1.041 26059 318 1 . 1 1 62 62 PHE HA H 62 4.590 4.590 4.756 -0.166 26059 319 1 . 1 1 62 62 PHE CA C 62 57.400 57.400 55.936 1.464 26059 320 1 . 1 1 62 62 PHE CB C 62 38.400 38.400 39.092 -0.692 26059 321 1 . 1 1 62 62 PHE H H 62 8.640 8.640 8.107 0.533 26059 322 1 . 1 1 63 63 PRO HA H 63 4.410 4.410 4.497 -0.087 26059 323 1 . 1 1 63 63 PRO C C 63 176.400 176.400 176.261 0.139 26059 324 1 . 1 1 63 63 PRO CA C 63 62.600 62.600 63.411 -0.811 26059 325 1 . 1 1 63 63 PRO CB C 63 31.860 31.860 32.068 -0.208 26059 326 1 . 1 1 64 64 ARG N N 64 116.840 116.840 120.785 -3.945 26059 327 1 . 1 1 64 64 ARG HA H 64 4.100 4.100 4.126 -0.026 26059 328 1 . 1 1 64 64 ARG CA C 64 55.610 55.610 56.015 -0.405 26059 329 1 . 1 1 64 64 ARG CB C 64 28.830 28.830 28.496 0.334 26059 330 1 . 1 1 64 64 ARG H H 64 8.890 8.890 8.723 0.167 26059 331 1 . 1 1 65 65 PRO HA H 65 3.990 3.990 4.358 -0.368 26059 332 1 . 1 1 65 65 PRO C C 65 175.800 175.800 176.838 -1.038 26059 333 1 . 1 1 65 65 PRO CA C 65 65.810 65.810 64.423 1.387 26059 334 1 . 1 1 65 65 PRO CB C 65 31.880 31.880 32.200 -0.320 26059 335 1 . 1 1 66 66 LYS N N 66 119.035 119.035 119.678 -0.643 26059 336 1 . 1 1 66 66 LYS HA H 66 4.610 4.610 4.489 0.121 26059 337 1 . 1 1 66 66 LYS C C 66 175.400 175.400 175.650 -0.250 26059 338 1 . 1 1 66 66 LYS CA C 66 55.453 55.453 55.430 0.023 26059 339 1 . 1 1 66 66 LYS CB C 66 31.730 31.730 32.780 -1.050 26059 340 1 . 1 1 66 66 LYS H H 66 7.630 7.630 7.937 -0.307 26059 341 1 . 1 1 67 67 ARG N N 67 127.394 127.394 128.301 -0.907 26059 342 1 . 1 1 67 67 ARG HA H 67 4.740 4.740 4.657 0.083 26059 343 1 . 1 1 67 67 ARG C C 67 174.500 174.500 175.136 -0.636 26059 344 1 . 1 1 67 67 ARG CA C 67 52.800 52.800 52.869 -0.069 26059 345 1 . 1 1 67 67 ARG CB C 67 29.714 29.714 29.831 -0.117 26059 346 1 . 1 1 67 67 ARG H H 67 8.855 8.855 8.568 0.287 26059 347 1 . 1 1 68 68 VAL N N 68 124.388 124.388 121.163 3.225 26059 348 1 . 1 1 68 68 VAL HA H 68 4.580 4.580 5.238 -0.658 26059 349 1 . 1 1 68 68 VAL C C 68 176.850 176.850 175.982 0.868 26059 350 1 . 1 1 68 68 VAL CA C 68 62.073 62.073 60.674 1.399 26059 351 1 . 1 1 68 68 VAL CB C 68 33.604 33.604 33.011 0.593 26059 352 1 . 1 1 68 68 VAL H H 68 8.681 8.681 8.202 0.479 26059 353 1 . 1 1 69 69 CYS N N 69 127.080 127.080 127.852 -0.772 26059 354 1 . 1 1 69 69 CYS HA H 69 5.070 5.070 4.853 0.217 26059 355 1 . 1 1 69 69 CYS CA C 69 58.346 58.346 58.004 0.342 26059 356 1 . 1 1 69 69 CYS CB C 69 30.170 30.170 29.423 0.747 26059 357 1 . 1 1 69 69 CYS H H 69 9.455 9.455 9.131 0.324 26059 358 1 . 1 1 70 70 LYS N N 70 125.480 125.480 124.506 0.974 26059 359 1 . 1 1 70 70 LYS HA H 70 4.490 4.490 4.613 -0.123 26059 360 1 . 1 1 70 70 LYS C C 70 174.300 174.300 176.511 -2.211 26059 361 1 . 1 1 70 70 LYS CA C 70 57.360 57.360 57.364 -0.004 26059 362 1 . 1 1 70 70 LYS CB C 70 33.170 33.170 33.482 -0.312 26059 363 1 . 1 1 70 70 LYS H H 70 9.050 9.050 8.662 0.388 26059 364 1 . 1 1 71 71 ASP N N 71 116.940 116.940 121.397 -4.458 26059 365 1 . 1 1 71 71 ASP HA H 71 5.100 5.100 4.776 0.324 26059 366 1 . 1 1 71 71 ASP CA C 71 51.080 51.080 52.926 -1.846 26059 367 1 . 1 1 71 71 ASP CB C 71 43.380 43.380 40.828 2.552 26059 368 1 . 1 1 71 71 ASP H H 71 7.620 7.620 8.051 -0.431 26059 369 1 . 1 1 72 72 PRO HA H 72 3.260 3.260 4.202 -0.942 26059 370 1 . 1 1 72 72 PRO CA C 72 60.650 60.650 62.828 -2.178 26059 371 1 . 1 1 72 72 PRO CB C 72 30.040 30.040 30.725 -0.685 26059 372 1 . 1 1 73 73 PRO HA H 73 4.100 4.100 3.933 0.167 26059 373 1 . 1 1 73 73 PRO C C 73 174.700 174.700 176.377 -1.677 26059 374 1 . 1 1 73 73 PRO CA C 73 61.690 61.690 63.806 -2.116 26059 375 1 . 1 1 73 73 PRO CB C 73 34.040 34.040 31.496 2.544 26059 376 1 . 1 1 74 74 TYR N N 74 125.400 125.400 124.694 0.706 26059 377 1 . 1 1 74 74 TYR HA H 74 4.850 4.850 4.399 0.451 26059 378 1 . 1 1 74 74 TYR C C 74 172.900 172.900 175.440 -2.540 26059 379 1 . 1 1 74 74 TYR CA C 74 55.670 55.670 58.967 -3.297 26059 380 1 . 1 1 74 74 TYR CB C 74 35.400 35.400 36.778 -1.378 26059 381 1 . 1 1 74 74 TYR H H 74 8.960 8.960 8.288 0.672 26059 382 1 . 1 1 75 75 LYS N N 75 121.400 121.400 119.849 1.551 26059 383 1 . 1 1 75 75 LYS HA H 75 5.590 5.590 5.539 0.051 26059 384 1 . 1 1 75 75 LYS C C 75 173.800 173.800 174.905 -1.105 26059 385 1 . 1 1 75 75 LYS CA C 75 54.650 54.650 54.148 0.502 26059 386 1 . 1 1 75 75 LYS CB C 75 35.890 35.890 37.193 -1.302 26059 387 1 . 1 1 75 75 LYS H H 75 7.670 7.670 7.990 -0.320 26059 388 1 . 1 1 76 76 VAL N N 76 119.800 119.800 122.225 -2.425 26059 389 1 . 1 1 76 76 VAL HA H 76 3.890 3.890 4.280 -0.390 26059 390 1 . 1 1 76 76 VAL C C 76 173.900 173.900 174.406 -0.506 26059 391 1 . 1 1 76 76 VAL CA C 76 61.730 61.730 60.478 1.252 26059 392 1 . 1 1 76 76 VAL CB C 76 35.540 35.540 35.148 0.392 26059 393 1 . 1 1 76 76 VAL H H 76 8.180 8.180 8.594 -0.414 26059 394 1 . 1 1 77 77 GLU N N 77 126.190 126.190 126.383 -0.193 26059 395 1 . 1 1 77 77 GLU HA H 77 4.950 4.950 5.017 -0.068 26059 396 1 . 1 1 77 77 GLU C C 77 174.700 174.700 175.274 -0.574 26059 397 1 . 1 1 77 77 GLU CA C 77 54.940 54.940 54.944 -0.004 26059 398 1 . 1 1 77 77 GLU CB C 77 31.550 31.550 31.394 0.156 26059 399 1 . 1 1 77 77 GLU H H 77 8.270 8.270 8.702 -0.432 26059 400 1 . 1 1 78 78 GLU N N 78 126.180 126.180 124.064 2.116 26059 401 1 . 1 1 78 78 GLU HA H 78 4.450 4.450 4.586 -0.136 26059 402 1 . 1 1 78 78 GLU C C 78 175.400 175.400 173.731 1.669 26059 403 1 . 1 1 78 78 GLU CA C 78 54.000 54.000 53.951 0.049 26059 404 1 . 1 1 78 78 GLU CB C 78 37.100 37.100 33.745 3.355 26059 405 1 . 1 1 78 78 GLU H H 78 7.870 7.870 8.021 -0.151 26059 406 1 . 1 1 79 79 SER N N 79 112.109 112.109 114.884 -2.775 26059 407 1 . 1 1 79 79 SER HA H 79 5.560 5.560 5.587 -0.027 26059 408 1 . 1 1 79 79 SER C C 79 172.490 172.490 173.657 -1.167 26059 409 1 . 1 1 79 79 SER CA C 79 57.754 57.754 56.263 1.491 26059 410 1 . 1 1 79 79 SER CB C 79 65.861 65.861 65.608 0.253 26059 411 1 . 1 1 79 79 SER H H 79 7.714 7.714 8.442 -0.728 26059 412 1 . 1 1 80 80 GLY N N 80 106.048 106.048 110.540 -4.492 26059 413 1 . 1 1 80 80 GLY C C 80 172.630 172.630 172.053 0.577 26059 414 1 . 1 1 80 80 GLY CA C 80 45.700 45.700 45.300 0.400 26059 415 1 . 1 1 80 80 GLY H H 80 8.828 8.828 8.871 -0.043 26059 416 1 . 1 1 81 81 TYR N N 81 115.280 115.280 115.662 -0.382 26059 417 1 . 1 1 81 81 TYR HA H 81 5.680 5.680 5.353 0.328 26059 418 1 . 1 1 81 81 TYR C C 81 174.100 174.100 174.234 -0.134 26059 419 1 . 1 1 81 81 TYR CA C 81 55.500 55.500 57.115 -1.615 26059 420 1 . 1 1 81 81 TYR CB C 81 41.000 41.000 40.530 0.470 26059 421 1 . 1 1 81 81 TYR H H 81 8.770 8.770 8.016 0.754 26059 422 1 . 1 1 82 82 ALA N N 82 122.350 122.350 122.672 -0.322 26059 423 1 . 1 1 82 82 ALA HA H 82 4.440 4.440 4.506 -0.066 26059 424 1 . 1 1 82 82 ALA CA C 82 51.040 51.040 51.411 -0.371 26059 425 1 . 1 1 82 82 ALA CB C 82 22.400 22.400 20.924 1.476 26059 426 1 . 1 1 82 82 ALA H H 82 7.160 7.160 7.129 0.031 26059 427 1 . 1 1 83 83 GLY N N 83 107.100 107.100 108.774 -1.674 26059 428 1 . 1 1 83 83 GLY C C 83 172.500 172.500 173.565 -1.065 26059 429 1 . 1 1 83 83 GLY CA C 83 44.610 44.610 44.604 0.007 26059 430 1 . 1 1 83 83 GLY H H 83 8.220 8.220 8.304 -0.084 26059 431 1 . 1 1 84 84 PHE N N 84 111.660 111.660 115.632 -3.972 26059 432 1 . 1 1 84 84 PHE HA H 84 4.690 4.690 4.593 0.097 26059 433 1 . 1 1 84 84 PHE C C 84 172.460 172.460 173.289 -0.829 26059 434 1 . 1 1 84 84 PHE CA C 84 56.500 56.500 55.957 0.543 26059 435 1 . 1 1 84 84 PHE CB C 84 38.580 38.580 39.857 -1.277 26059 436 1 . 1 1 84 84 PHE H H 84 7.700 7.700 8.148 -0.448 26059 437 1 . 1 1 85 85 ILE N N 85 117.810 117.810 121.477 -3.667 26059 438 1 . 1 1 85 85 ILE HA H 85 4.310 4.310 3.991 0.319 26059 439 1 . 1 1 85 85 ILE CA C 85 59.340 59.340 60.805 -1.465 26059 440 1 . 1 1 85 85 ILE CB C 85 35.260 35.260 36.814 -1.554 26059 441 1 . 1 1 85 85 ILE H H 85 8.340 8.340 8.352 -0.012 26059 442 1 . 1 1 86 86 LEU N N 86 108.130 108.130 129.229 -21.099 26059 443 1 . 1 1 86 86 LEU HA H 86 4.980 4.980 4.963 0.017 26059 444 1 . 1 1 86 86 LEU CA C 86 53.200 53.200 50.879 2.321 26059 445 1 . 1 1 86 86 LEU CB C 86 45.300 45.300 44.905 0.395 26059 446 1 . 1 1 86 86 LEU H H 86 9.900 9.900 8.681 1.219 26059 447 1 . 1 1 87 87 PRO HA H 87 5.100 5.100 4.650 0.450 26059 448 1 . 1 1 87 87 PRO C C 87 175.340 175.340 175.883 -0.543 26059 449 1 . 1 1 87 87 PRO CA C 87 63.110 63.110 63.059 0.051 26059 450 1 . 1 1 87 87 PRO CB C 87 31.560 31.560 31.301 0.259 26059 451 1 . 1 1 88 88 ILE N N 88 126.000 126.000 126.838 -0.838 26059 452 1 . 1 1 88 88 ILE HA H 88 4.790 4.790 4.525 0.265 26059 453 1 . 1 1 88 88 ILE C C 88 176.100 176.100 174.975 1.126 26059 454 1 . 1 1 88 88 ILE CA C 88 60.560 60.560 60.338 0.222 26059 455 1 . 1 1 88 88 ILE CB C 88 42.000 42.000 39.798 2.202 26059 456 1 . 1 1 88 88 ILE H H 88 9.380 9.380 8.877 0.503 26059 457 1 . 1 1 89 89 GLU N N 89 123.900 123.900 127.826 -3.926 26059 458 1 . 1 1 89 89 GLU HA H 89 5.200 5.200 5.117 0.083 26059 459 1 . 1 1 89 89 GLU C C 89 173.800 173.800 175.360 -1.560 26059 460 1 . 1 1 89 89 GLU CA C 89 53.970 53.970 54.362 -0.392 26059 461 1 . 1 1 89 89 GLU CB C 89 34.380 34.380 31.989 2.391 26059 462 1 . 1 1 89 89 GLU H H 89 9.320 9.320 8.529 0.791 26059 463 1 . 1 1 90 90 VAL N N 90 123.980 123.980 124.497 -0.517 26059 464 1 . 1 1 90 90 VAL HA H 90 4.160 4.160 3.870 0.290 26059 465 1 . 1 1 90 90 VAL C C 90 174.800 174.800 174.423 0.377 26059 466 1 . 1 1 90 90 VAL CA C 90 61.390 61.390 61.791 -0.402 26059 467 1 . 1 1 90 90 VAL CB C 90 32.490 32.490 32.734 -0.244 26059 468 1 . 1 1 90 90 VAL H H 90 8.630 8.630 7.977 0.653 26059 469 1 . 1 1 91 91 TYR N N 91 124.230 124.230 126.248 -2.018 26059 470 1 . 1 1 91 91 TYR HA H 91 4.660 4.660 4.806 -0.146 26059 471 1 . 1 1 91 91 TYR C C 91 176.800 176.800 175.630 1.170 26059 472 1 . 1 1 91 91 TYR CA C 91 56.700 56.700 57.181 -0.481 26059 473 1 . 1 1 91 91 TYR CB C 91 40.240 40.240 39.705 0.535 26059 474 1 . 1 1 91 91 TYR H H 91 8.640 8.640 8.948 -0.308 26059 475 1 . 1 1 92 92 PHE N N 92 121.200 121.200 121.453 -0.253 26059 476 1 . 1 1 92 92 PHE HA H 92 5.660 5.660 5.383 0.277 26059 477 1 . 1 1 92 92 PHE CA C 92 56.510 56.510 55.203 1.307 26059 478 1 . 1 1 92 92 PHE CB C 92 42.000 42.000 42.598 -0.598 26059 479 1 . 1 1 92 92 PHE H H 92 8.750 8.750 9.076 -0.326 26059 480 1 . 1 1 93 93 LYS N N 93 123.450 123.450 122.953 0.497 26059 481 1 . 1 1 93 93 LYS HA H 93 4.600 4.600 4.609 -0.009 26059 482 1 . 1 1 93 93 LYS C C 93 174.200 174.200 175.287 -1.087 26059 483 1 . 1 1 93 93 LYS CA C 93 55.180 55.180 55.718 -0.538 26059 484 1 . 1 1 93 93 LYS CB C 93 31.680 31.680 31.673 0.007 26059 485 1 . 1 1 93 93 LYS H H 93 8.560 8.560 8.891 -0.331 26059 486 1 . 1 1 94 94 ASN N N 94 118.800 118.800 122.444 -3.644 26059 487 1 . 1 1 94 94 ASN HA H 94 4.440 4.440 4.856 -0.416 26059 488 1 . 1 1 94 94 ASN CA C 94 51.210 51.210 52.547 -1.337 26059 489 1 . 1 1 94 94 ASN CB C 94 39.800 39.800 41.508 -1.708 26059 490 1 . 1 1 94 94 ASN H H 94 7.820 7.820 8.142 -0.322 26059 491 1 . 1 1 95 95 LYS HA H 95 4.330 4.330 4.474 -0.144 26059 492 1 . 1 1 95 95 LYS C C 95 175.800 175.800 175.798 0.002 26059 493 1 . 1 1 95 95 LYS CA C 95 56.210 56.210 56.481 -0.271 26059 494 1 . 1 1 95 95 LYS CB C 95 33.010 33.010 32.819 0.191 26059 495 1 . 1 1 96 96 GLU N N 96 118.330 118.330 120.562 -2.232 26059 496 1 . 1 1 96 96 GLU HA H 96 4.510 4.510 4.339 0.171 26059 497 1 . 1 1 96 96 GLU C C 96 173.200 173.200 175.877 -2.677 26059 498 1 . 1 1 96 96 GLU CA C 96 54.100 54.100 54.852 -0.752 26059 499 1 . 1 1 96 96 GLU CB C 96 31.470 31.470 30.338 1.132 26059 500 1 . 1 1 96 96 GLU H H 96 7.120 7.120 7.760 -0.640 26059 501 1 . 1 1 97 97 GLU N N 97 115.630 115.630 119.959 -4.329 26059 502 1 . 1 1 97 97 GLU HA H 97 4.430 4.430 4.104 0.326 26059 503 1 . 1 1 97 97 GLU CA C 97 54.860 54.860 56.352 -1.492 26059 504 1 . 1 1 97 97 GLU CB C 97 29.270 29.270 28.637 0.633 26059 505 1 . 1 1 97 97 GLU H H 97 8.060 8.060 8.431 -0.371 26059 506 1 . 1 1 98 98 PRO HA H 98 5.000 5.000 4.239 0.761 26059 507 1 . 1 1 98 98 PRO C C 98 175.900 175.900 176.803 -0.903 26059 508 1 . 1 1 98 98 PRO CA C 98 62.160 62.160 64.119 -1.959 26059 509 1 . 1 1 98 98 PRO CB C 98 34.000 34.000 31.855 2.145 26059 510 1 . 1 1 99 99 ARG N N 99 122.800 122.800 120.594 2.206 26059 511 1 . 1 1 99 99 ARG HA H 99 4.630 4.630 4.463 0.167 26059 512 1 . 1 1 99 99 ARG C C 99 175.800 175.800 175.602 0.198 26059 513 1 . 1 1 99 99 ARG CA C 99 56.200 56.200 55.883 0.317 26059 514 1 . 1 1 99 99 ARG CB C 99 30.410 30.410 30.422 -0.012 26059 515 1 . 1 1 99 99 ARG H H 99 8.602 8.602 8.674 -0.072 26059 516 1 . 1 1 100 100 LYS N N 100 113.220 113.220 116.464 -3.244 26059 517 1 . 1 1 100 100 LYS HA H 100 4.940 4.940 4.904 0.036 26059 518 1 . 1 1 100 100 LYS C C 100 174.100 174.100 174.648 -0.548 26059 519 1 . 1 1 100 100 LYS CA C 100 53.391 53.391 53.996 -0.605 26059 520 1 . 1 1 100 100 LYS CB C 100 34.720 34.720 35.663 -0.943 26059 521 1 . 1 1 100 100 LYS H H 100 7.650 7.650 7.305 0.345 26059 522 1 . 1 1 101 101 VAL N N 101 116.230 116.230 117.674 -1.444 26059 523 1 . 1 1 101 101 VAL HA H 101 4.270 4.270 4.385 -0.115 26059 524 1 . 1 1 101 101 VAL C C 101 171.600 171.600 173.372 -1.772 26059 525 1 . 1 1 101 101 VAL CA C 101 60.260 60.260 59.271 0.989 26059 526 1 . 1 1 101 101 VAL CB C 101 35.180 35.180 35.486 -0.306 26059 527 1 . 1 1 101 101 VAL H H 101 8.120 8.120 8.200 -0.080 26059 528 1 . 1 1 102 102 ARG N N 102 124.980 124.980 123.942 1.038 26059 529 1 . 1 1 102 102 ARG HA H 102 5.160 5.160 4.802 0.358 26059 530 1 . 1 1 102 102 ARG C C 102 174.340 174.340 174.850 -0.510 26059 531 1 . 1 1 102 102 ARG CA C 102 53.750 53.750 54.808 -1.058 26059 532 1 . 1 1 102 102 ARG CB C 102 33.350 33.350 31.779 1.571 26059 533 1 . 1 1 102 102 ARG H H 102 7.930 7.930 8.059 -0.129 26059 534 1 . 1 1 103 103 PHE N N 103 124.590 124.590 126.175 -1.585 26059 535 1 . 1 1 103 103 PHE HA H 103 4.792 4.792 4.736 0.056 26059 536 1 . 1 1 103 103 PHE C C 103 174.280 174.280 174.685 -0.405 26059 537 1 . 1 1 103 103 PHE CA C 103 55.480 55.480 54.646 0.834 26059 538 1 . 1 1 103 103 PHE CB C 103 42.250 42.250 40.607 1.643 26059 539 1 . 1 1 103 103 PHE H H 103 9.390 9.390 9.144 0.246 26059 540 1 . 1 1 104 104 ASP N N 104 124.700 124.700 124.727 -0.027 26059 541 1 . 1 1 104 104 ASP HA H 104 4.799 4.799 4.603 0.196 26059 542 1 . 1 1 104 104 ASP C C 104 174.500 174.500 174.634 -0.134 26059 543 1 . 1 1 104 104 ASP CA C 104 54.390 54.390 53.974 0.416 26059 544 1 . 1 1 104 104 ASP CB C 104 40.230 40.230 40.565 -0.335 26059 545 1 . 1 1 104 104 ASP H H 104 9.010 9.010 8.981 0.029 26059 546 1 . 1 1 105 105 TYR N N 105 129.840 129.840 124.692 5.148 26059 547 1 . 1 1 105 105 TYR HA H 105 4.070 4.070 4.689 -0.619 26059 548 1 . 1 1 105 105 TYR C C 105 173.100 173.100 173.160 -0.060 26059 549 1 . 1 1 105 105 TYR CA C 105 58.680 58.680 56.945 1.735 26059 550 1 . 1 1 105 105 TYR CB C 105 41.850 41.850 42.315 -0.465 26059 551 1 . 1 1 105 105 TYR H H 105 8.140 8.140 8.170 -0.030 26059 552 1 . 1 1 106 106 ASP N N 106 126.800 126.800 127.258 -0.458 26059 553 1 . 1 1 106 106 ASP HA H 106 4.220 4.220 4.388 -0.168 26059 554 1 . 1 1 106 106 ASP C C 106 172.900 172.900 174.454 -1.554 26059 555 1 . 1 1 106 106 ASP CA C 106 53.510 53.510 53.552 -0.042 26059 556 1 . 1 1 106 106 ASP CB C 106 39.500 39.500 41.472 -1.972 26059 557 1 . 1 1 106 106 ASP H H 106 7.730 7.730 8.306 -0.576 26059 558 1 . 1 1 107 107 LEU N N 107 132.150 132.150 128.356 3.794 26059 559 1 . 1 1 107 107 LEU HA H 107 2.840 2.840 3.507 -0.667 26059 560 1 . 1 1 107 107 LEU C C 107 172.100 172.100 174.762 -2.662 26059 561 1 . 1 1 107 107 LEU CA C 107 53.200 53.200 53.740 -0.540 26059 562 1 . 1 1 107 107 LEU CB C 107 39.240 39.240 40.813 -1.573 26059 563 1 . 1 1 107 107 LEU H H 107 7.770 7.770 7.672 0.098 26059 564 1 . 1 1 108 108 PHE N N 108 118.960 118.960 121.652 -2.692 26059 565 1 . 1 1 108 108 PHE HA H 108 4.690 4.690 4.865 -0.175 26059 566 1 . 1 1 108 108 PHE C C 108 174.300 174.300 173.628 0.672 26059 567 1 . 1 1 108 108 PHE CA C 108 54.690 54.690 55.410 -0.720 26059 568 1 . 1 1 108 108 PHE CB C 108 40.290 40.290 40.894 -0.604 26059 569 1 . 1 1 108 108 PHE H H 108 6.060 6.060 7.337 -1.277 26059 570 1 . 1 1 109 109 LEU N N 109 118.900 118.900 120.128 -1.228 26059 571 1 . 1 1 109 109 LEU HA H 109 4.400 4.400 4.625 -0.225 26059 572 1 . 1 1 109 109 LEU CA C 109 52.160 52.160 53.242 -1.082 26059 573 1 . 1 1 109 109 LEU CB C 109 43.080 43.080 45.281 -2.201 26059 574 1 . 1 1 109 109 LEU H H 109 8.388 8.388 8.189 0.199 26059 575 1 . 1 1 111 111 LEU HA H 111 4.440 4.440 4.430 0.010 26059 576 1 . 1 1 111 111 LEU C C 111 177.300 177.300 177.225 0.075 26059 577 1 . 1 1 111 111 LEU CA C 111 54.220 54.220 55.094 -0.874 26059 578 1 . 1 1 111 111 LEU CB C 111 43.870 43.870 42.624 1.246 26059 579 1 . 1 1 112 112 GLU N N 112 120.660 120.660 122.915 -2.255 26059 580 1 . 1 1 112 112 GLU HA H 112 4.170 4.170 4.092 0.078 26059 581 1 . 1 1 112 112 GLU CA C 112 58.460 58.460 58.113 0.347 26059 582 1 . 1 1 112 112 GLU CB C 112 29.190 29.190 29.458 -0.268 26059 583 1 . 1 1 112 112 GLU H H 112 8.780 8.780 8.812 -0.032 26059 584 1 . 1 1 113 113 GLY C C 113 173.900 173.900 173.898 0.002 26059 585 1 . 1 1 113 113 GLY CA C 113 44.950 44.950 45.005 -0.055 26059 586 1 . 1 1 114 114 HIS N N 114 120.890 120.890 120.024 0.866 26059 587 1 . 1 1 114 114 HIS HA H 114 4.906 4.906 4.978 -0.072 26059 588 1 . 1 1 114 114 HIS CA C 114 54.770 54.770 53.620 1.150 26059 589 1 . 1 1 114 114 HIS CB C 114 30.590 30.590 31.508 -0.918 26059 590 1 . 1 1 114 114 HIS H H 114 7.934 7.934 7.907 0.027 26059 591 1 . 1 1 115 115 PRO HA H 115 4.800 4.800 4.614 0.186 26059 592 1 . 1 1 115 115 PRO CA C 115 62.090 62.090 61.887 0.203 26059 593 1 . 1 1 115 115 PRO CB C 115 30.680 30.680 31.425 -0.745 26059 594 1 . 1 1 116 116 PRO HA H 116 4.210 4.210 4.455 -0.245 26059 595 1 . 1 1 116 116 PRO C C 116 176.600 176.600 175.989 0.611 26059 596 1 . 1 1 116 116 PRO CB C 116 32.300 32.300 32.585 -0.285 26059 597 1 . 1 1 117 117 VAL N N 117 127.480 127.480 122.467 5.013 26059 598 1 . 1 1 117 117 VAL HA H 117 3.790 3.790 4.240 -0.450 26059 599 1 . 1 1 117 117 VAL CA C 117 62.700 62.700 61.329 1.371 26059 600 1 . 1 1 117 117 VAL CB C 117 33.200 33.200 33.258 -0.058 26059 601 1 . 1 1 117 117 VAL H H 117 8.890 8.890 8.150 0.740 26059 602 1 . 1 1 118 118 ASN HA H 118 4.990 4.990 5.124 -0.134 26059 603 1 . 1 1 118 118 ASN C C 118 172.700 172.700 173.760 -1.060 26059 604 1 . 1 1 118 118 ASN CA C 118 53.360 53.360 52.994 0.366 26059 605 1 . 1 1 118 118 ASN CB C 118 39.200 39.200 40.081 -0.881 26059 606 1 . 1 1 119 119 HIS N N 119 124.930 124.930 126.098 -1.168 26059 607 1 . 1 1 119 119 HIS HA H 119 4.820 4.820 5.075 -0.255 26059 608 1 . 1 1 119 119 HIS C C 119 173.500 173.500 173.102 0.398 26059 609 1 . 1 1 119 119 HIS CA C 119 56.970 56.970 55.166 1.804 26059 610 1 . 1 1 119 119 HIS CB C 119 34.270 34.270 33.470 0.800 26059 611 1 . 1 1 119 119 HIS H H 119 8.790 8.790 8.437 0.353 26059 612 1 . 1 1 120 120 LEU N N 120 128.280 128.280 124.845 3.435 26059 613 1 . 1 1 120 120 LEU HA H 120 4.950 4.950 4.653 0.297 26059 614 1 . 1 1 120 120 LEU C C 120 174.030 174.030 175.587 -1.557 26059 615 1 . 1 1 120 120 LEU CA C 120 54.000 54.000 53.549 0.452 26059 616 1 . 1 1 120 120 LEU CB C 120 46.600 46.600 44.894 1.706 26059 617 1 . 1 1 120 120 LEU H H 120 7.460 7.460 8.376 -0.915 26059 618 1 . 1 1 121 121 ARG N N 121 128.060 128.060 122.271 5.789 26059 619 1 . 1 1 121 121 ARG HA H 121 4.640 4.640 4.572 0.068 26059 620 1 . 1 1 121 121 ARG C C 121 173.400 173.400 173.861 -0.461 26059 621 1 . 1 1 121 121 ARG CA C 121 54.360 54.360 54.992 -0.631 26059 622 1 . 1 1 121 121 ARG CB C 121 34.260 34.260 33.930 0.330 26059 623 1 . 1 1 121 121 ARG H H 121 9.860 9.860 8.566 1.294 26059 624 1 . 1 1 122 122 CYS N N 122 125.290 125.290 123.948 1.342 26059 625 1 . 1 1 122 122 CYS HA H 122 5.020 5.020 5.273 -0.253 26059 626 1 . 1 1 122 122 CYS C C 122 174.600 174.600 174.096 0.504 26059 627 1 . 1 1 122 122 CYS CA C 122 58.290 58.290 57.093 1.197 26059 628 1 . 1 1 122 122 CYS CB C 122 28.030 28.030 29.461 -1.431 26059 629 1 . 1 1 122 122 CYS H H 122 8.835 8.835 8.691 0.144 26059 630 1 . 1 1 123 123 GLU N N 123 125.920 125.920 125.255 0.665 26059 631 1 . 1 1 123 123 GLU HA H 123 4.680 4.680 4.496 0.184 26059 632 1 . 1 1 123 123 GLU C C 123 174.500 174.500 174.865 -0.365 26059 633 1 . 1 1 123 123 GLU CA C 123 54.420 54.420 54.593 -0.173 26059 634 1 . 1 1 123 123 GLU CB C 123 32.583 32.583 32.248 0.335 26059 635 1 . 1 1 123 123 GLU H H 123 8.970 8.970 8.997 -0.027 26059 636 1 . 1 1 124 124 LYS N N 124 121.837 121.837 124.714 -2.877 26059 637 1 . 1 1 124 124 LYS HA H 124 4.960 4.960 4.906 0.054 26059 638 1 . 1 1 124 124 LYS C C 124 175.700 175.700 176.052 -0.352 26059 639 1 . 1 1 124 124 LYS CA C 124 55.357 55.357 55.307 0.050 26059 640 1 . 1 1 124 124 LYS CB C 124 34.189 34.189 33.823 0.366 26059 641 1 . 1 1 124 124 LYS H H 124 8.652 8.652 8.480 0.172 26059 642 1 . 1 1 125 125 LEU N N 125 127.000 127.000 129.368 -2.368 26059 643 1 . 1 1 125 125 LEU HA H 125 4.650 4.650 4.505 0.145 26059 644 1 . 1 1 125 125 LEU C C 125 175.110 175.110 175.357 -0.247 26059 645 1 . 1 1 125 125 LEU CA C 125 53.854 53.854 54.043 -0.189 26059 646 1 . 1 1 125 125 LEU CB C 125 44.267 44.267 42.992 1.275 26059 647 1 . 1 1 125 125 LEU H H 125 9.175 9.175 9.125 0.051 26059 648 1 . 1 1 126 126 THR N N 126 117.779 117.779 120.161 -2.382 26059 649 1 . 1 1 126 126 THR HA H 126 4.650 4.650 4.577 0.073 26059 650 1 . 1 1 126 126 THR C C 126 173.200 173.200 173.538 -0.338 26059 651 1 . 1 1 126 126 THR CA C 126 62.036 62.036 61.864 0.172 26059 652 1 . 1 1 126 126 THR CB C 126 70.284 70.284 69.694 0.590 26059 653 1 . 1 1 126 126 THR H H 126 8.331 8.331 8.357 -0.026 26059 654 1 . 1 1 127 127 PHE N N 127 126.576 126.576 127.217 -0.641 26059 655 1 . 1 1 127 127 PHE HA H 127 4.590 4.590 4.750 -0.160 26059 656 1 . 1 1 127 127 PHE C C 127 174.860 174.860 174.246 0.614 26059 657 1 . 1 1 127 127 PHE CA C 127 56.864 56.864 55.555 1.309 26059 658 1 . 1 1 127 127 PHE CB C 127 39.000 39.000 40.168 -1.168 26059 659 1 . 1 1 127 127 PHE H H 127 9.051 9.051 9.058 -0.007 26059 660 1 . 1 1 128 128 ASN N N 128 123.040 123.040 122.165 0.875 26059 661 1 . 1 1 128 128 ASN HA H 128 4.620 4.620 4.685 -0.065 26059 662 1 . 1 1 128 128 ASN CA C 128 54.480 54.480 53.417 1.063 26059 663 1 . 1 1 128 128 ASN CB C 128 39.460 39.460 38.878 0.582 26059 664 1 . 1 1 128 128 ASN H H 128 8.880 8.880 8.820 0.060 26059 665 1 . 1 1 129 129 ASN HA H 129 4.760 4.760 4.595 0.165 26059 666 1 . 1 1 129 129 ASN CA C 129 52.900 52.900 53.493 -0.593 26059 667 1 . 1 1 129 129 ASN CB C 129 38.730 38.730 37.516 1.214 26059 668 1 . 1 1 130 130 PRO HA H 130 4.790 4.790 4.574 0.216 26059 669 1 . 1 1 130 130 PRO C C 130 177.470 177.470 176.408 1.062 26059 670 1 . 1 1 130 130 PRO CA C 130 62.574 62.574 62.450 0.124 26059 671 1 . 1 1 130 130 PRO CB C 130 32.310 32.310 32.708 -0.397 26059 672 1 . 1 1 131 131 THR N N 131 113.400 113.400 111.119 2.281 26059 673 1 . 1 1 131 131 THR HA H 131 4.300 4.300 4.301 -0.001 26059 674 1 . 1 1 131 131 THR C C 131 175.200 175.200 175.977 -0.777 26059 675 1 . 1 1 131 131 THR CA C 131 62.200 62.200 61.538 0.662 26059 676 1 . 1 1 131 131 THR CB C 131 70.600 70.600 70.056 0.544 26059 677 1 . 1 1 131 131 THR H H 131 8.950 8.950 8.124 0.826 26059 678 1 . 1 1 132 132 GLU N N 132 122.199 122.199 124.863 -2.664 26059 679 1 . 1 1 132 132 GLU HA H 132 4.010 4.010 3.907 0.103 26059 680 1 . 1 1 132 132 GLU C C 132 178.700 178.700 178.018 0.682 26059 681 1 . 1 1 132 132 GLU CA C 132 60.294 60.294 60.523 -0.229 26059 682 1 . 1 1 132 132 GLU CB C 132 29.161 29.161 29.587 -0.426 26059 683 1 . 1 1 132 132 GLU H H 132 8.932 8.932 9.080 -0.148 26059 684 1 . 1 1 133 133 ASP N N 133 116.324 116.324 117.942 -1.618 26059 685 1 . 1 1 133 133 ASP HA H 133 4.330 4.330 4.400 -0.070 26059 686 1 . 1 1 133 133 ASP C C 133 177.800 177.800 178.320 -0.520 26059 687 1 . 1 1 133 133 ASP CA C 133 57.360 57.360 56.860 0.500 26059 688 1 . 1 1 133 133 ASP CB C 133 41.823 41.823 39.941 1.882 26059 689 1 . 1 1 133 133 ASP H H 133 8.490 8.490 8.742 -0.252 26059 690 1 . 1 1 134 134 PHE N N 134 119.914 119.914 122.041 -2.127 26059 691 1 . 1 1 134 134 PHE HA H 134 4.610 4.610 4.199 0.411 26059 692 1 . 1 1 134 134 PHE C C 134 177.300 177.300 177.031 0.269 26059 693 1 . 1 1 134 134 PHE CA C 134 59.538 59.538 60.430 -0.892 26059 694 1 . 1 1 134 134 PHE CB C 134 39.200 39.200 39.355 -0.155 26059 695 1 . 1 1 134 134 PHE H H 134 7.787 7.787 7.748 0.040 26059 696 1 . 1 1 135 135 ARG N N 135 119.794 119.794 120.526 -0.732 26059 697 1 . 1 1 135 135 ARG HA H 135 3.350 3.350 3.771 -0.421 26059 698 1 . 1 1 135 135 ARG C C 135 177.370 177.370 178.109 -0.739 26059 699 1 . 1 1 135 135 ARG CA C 135 60.376 60.376 60.055 0.321 26059 700 1 . 1 1 135 135 ARG CB C 135 30.396 30.396 30.035 0.361 26059 701 1 . 1 1 135 135 ARG H H 135 9.087 9.087 8.400 0.687 26059 702 1 . 1 1 136 136 ARG N N 136 114.554 114.554 118.667 -4.113 26059 703 1 . 1 1 136 136 ARG HA H 136 3.820 3.820 3.979 -0.159 26059 704 1 . 1 1 136 136 ARG C C 136 178.950 178.950 178.602 0.348 26059 705 1 . 1 1 136 136 ARG CA C 136 59.300 59.300 59.595 -0.295 26059 706 1 . 1 1 136 136 ARG CB C 136 30.217 30.217 30.011 0.206 26059 707 1 . 1 1 136 136 ARG H H 136 7.747 7.747 8.373 -0.626 26059 708 1 . 1 1 137 137 LYS N N 137 118.298 118.298 118.825 -0.527 26059 709 1 . 1 1 137 137 LYS HA H 137 3.900 3.900 4.022 -0.122 26059 710 1 . 1 1 137 137 LYS C C 137 177.980 177.980 178.804 -0.824 26059 711 1 . 1 1 137 137 LYS CA C 137 60.395 60.395 59.353 1.042 26059 712 1 . 1 1 137 137 LYS CB C 137 32.447 32.447 32.282 0.165 26059 713 1 . 1 1 137 137 LYS H H 137 7.154 7.154 7.387 -0.233 26059 714 1 . 1 1 138 138 LEU N N 138 117.159 117.159 119.099 -1.940 26059 715 1 . 1 1 138 138 LEU HA H 138 3.420 3.420 3.796 -0.376 26059 716 1 . 1 1 138 138 LEU C C 138 179.100 179.100 178.555 0.545 26059 717 1 . 1 1 138 138 LEU CA C 138 57.231 57.231 57.181 0.050 26059 718 1 . 1 1 138 138 LEU CB C 138 42.328 42.328 41.589 0.739 26059 719 1 . 1 1 138 138 LEU H H 138 7.709 7.709 7.785 -0.076 26059 720 1 . 1 1 139 139 LEU N N 139 115.158 115.158 116.656 -1.498 26059 721 1 . 1 1 139 139 LEU HA H 139 4.150 4.150 4.138 0.012 26059 722 1 . 1 1 139 139 LEU C C 139 177.600 177.600 178.498 -0.898 26059 723 1 . 1 1 139 139 LEU CA C 139 55.529 55.529 56.595 -1.066 26059 724 1 . 1 1 139 139 LEU CB C 139 41.744 41.744 41.988 -0.244 26059 725 1 . 1 1 139 139 LEU H H 139 7.507 7.507 8.143 -0.636 26059 726 1 . 1 1 140 140 LYS N N 140 120.256 120.256 119.271 0.985 26059 727 1 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.058 0.052 26059 728 1 . 1 1 140 140 LYS C C 140 175.800 175.800 177.128 -1.328 26059 729 1 . 1 1 140 140 LYS CA C 140 57.052 57.052 57.228 -0.176 26059 730 1 . 1 1 140 140 LYS CB C 140 32.646 32.646 32.770 -0.124 26059 731 1 . 1 1 140 140 LYS H H 140 7.304 7.304 7.571 -0.267 26059 stop_ save_