data_25476 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25476 _Entry.PDB_ID 2MZ8 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 25476 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 THR N N 2 118.280 118.280 113.653 4.627 25476 2 1 1 . 1 1 2 2 THR HA H 2 4.550 4.550 4.490 0.060 25476 3 1 1 . 1 1 2 2 THR C C 2 174.150 174.150 174.692 -0.542 25476 4 1 1 . 1 1 2 2 THR CA C 2 61.600 61.600 61.558 0.042 25476 5 1 1 . 1 1 2 2 THR CB C 2 69.970 69.970 69.737 0.232 25476 6 1 1 . 1 1 2 2 THR H H 2 8.470 8.470 8.012 0.458 25476 7 1 1 . 1 1 3 3 LEU N N 3 125.130 125.130 118.711 6.419 25476 8 1 1 . 1 1 3 3 LEU HA H 3 4.660 4.660 5.014 -0.354 25476 9 1 1 . 1 1 3 3 LEU C C 3 176.690 176.690 177.002 -0.312 25476 10 1 1 . 1 1 3 3 LEU CA C 3 53.540 53.540 51.463 2.077 25476 11 1 1 . 1 1 3 3 LEU CB C 3 40.050 40.050 41.489 -1.439 25476 12 1 1 . 1 1 3 3 LEU H H 3 8.580 8.580 8.350 0.230 25476 13 1 1 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.321 0.039 25476 14 1 1 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.677 0.794 25476 15 1 1 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.464 0.426 25476 16 1 1 . 1 1 5 5 SER HA H 5 4.580 4.580 4.253 0.327 25476 17 1 1 . 1 1 5 5 SER C C 5 175.510 175.510 175.284 0.226 25476 18 1 1 . 1 1 5 5 SER CA C 5 59.410 59.410 59.364 0.046 25476 19 1 1 . 1 1 5 5 SER CB C 5 63.110 63.110 63.137 -0.027 25476 20 1 1 . 1 1 6 6 GLY N N 6 112.010 112.010 108.912 3.098 25476 21 1 1 . 1 1 6 6 GLY C C 6 173.300 173.300 174.839 -1.539 25476 22 1 1 . 1 1 6 6 GLY CA C 6 44.530 44.530 44.712 -0.182 25476 23 1 1 . 1 1 6 6 GLY H H 6 8.620 8.620 7.540 1.081 25476 24 1 1 . 1 1 7 7 HIS N N 7 119.440 119.440 122.074 -2.634 25476 25 1 1 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.986 -0.306 25476 26 1 1 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.947 2.393 25476 27 1 1 . 1 1 7 7 HIS CB C 7 31.030 31.030 29.500 1.530 25476 28 1 1 . 1 1 7 7 HIS H H 7 7.170 7.170 7.608 -0.438 25476 29 1 1 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.522 0.268 25476 30 1 1 . 1 1 8 8 PRO C C 8 178.140 178.140 177.656 0.484 25476 31 1 1 . 1 1 8 8 PRO CA C 8 62.850 62.850 62.927 -0.077 25476 32 1 1 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.767 -0.787 25476 33 1 1 . 1 1 9 9 LYS N N 9 127.570 127.570 125.379 2.191 25476 34 1 1 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.212 -0.042 25476 35 1 1 . 1 1 9 9 LYS C C 9 178.050 178.050 178.587 -0.537 25476 36 1 1 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.001 0.829 25476 37 1 1 . 1 1 9 9 LYS H H 9 9.000 9.000 8.984 0.016 25476 38 1 1 . 1 1 10 10 SER N N 10 113.610 113.610 112.934 0.676 25476 39 1 1 . 1 1 10 10 SER HA H 10 4.120 4.120 4.351 -0.231 25476 40 1 1 . 1 1 10 10 SER C C 10 176.750 176.750 176.556 0.194 25476 41 1 1 . 1 1 10 10 SER CA C 10 61.050 61.050 60.871 0.179 25476 42 1 1 . 1 1 10 10 SER H H 10 9.170 9.170 8.488 0.682 25476 43 1 1 . 1 1 11 11 ARG N N 11 122.220 122.220 122.772 -0.552 25476 44 1 1 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.218 -0.068 25476 45 1 1 . 1 1 11 11 ARG C C 11 177.890 177.890 178.331 -0.441 25476 46 1 1 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.399 -0.119 25476 47 1 1 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.974 0.036 25476 48 1 1 . 1 1 11 11 ARG H H 11 7.100 7.100 7.377 -0.277 25476 49 1 1 . 1 1 12 12 LEU N N 12 121.360 121.360 120.972 0.388 25476 50 1 1 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.681 -0.111 25476 51 1 1 . 1 1 12 12 LEU C C 12 177.890 177.890 178.363 -0.473 25476 52 1 1 . 1 1 12 12 LEU CA C 12 56.000 56.000 58.104 -2.104 25476 53 1 1 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.218 -1.778 25476 54 1 1 . 1 1 12 12 LEU H H 12 7.220 7.220 8.251 -1.031 25476 55 1 1 . 1 1 13 13 ILE N N 13 118.920 118.920 119.238 -0.318 25476 56 1 1 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.877 -0.107 25476 57 1 1 . 1 1 13 13 ILE C C 13 179.060 179.060 178.708 0.352 25476 58 1 1 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.699 0.431 25476 59 1 1 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.963 -0.533 25476 60 1 1 . 1 1 13 13 ILE H H 13 8.590 8.590 8.148 0.442 25476 61 1 1 . 1 1 14 14 LYS N N 14 121.950 121.950 119.137 2.813 25476 62 1 1 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.064 0.066 25476 63 1 1 . 1 1 14 14 LYS C C 14 179.810 179.810 178.737 1.073 25476 64 1 1 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.703 1.357 25476 65 1 1 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.033 0.047 25476 66 1 1 . 1 1 14 14 LYS H H 14 7.730 7.730 7.582 0.148 25476 67 1 1 . 1 1 15 15 LYS N N 15 119.750 119.750 118.429 1.321 25476 68 1 1 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.994 0.126 25476 69 1 1 . 1 1 15 15 LYS C C 15 179.700 179.700 179.247 0.453 25476 70 1 1 . 1 1 15 15 LYS CA C 15 58.730 58.730 58.983 -0.253 25476 71 1 1 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.505 -0.555 25476 72 1 1 . 1 1 15 15 LYS H H 15 7.800 7.800 7.791 0.009 25476 73 1 1 . 1 1 16 16 PHE N N 16 117.660 117.660 118.165 -0.505 25476 74 1 1 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.113 0.647 25476 75 1 1 . 1 1 16 16 PHE C C 16 180.960 180.960 177.983 2.977 25476 76 1 1 . 1 1 16 16 PHE CA C 16 56.640 56.640 59.790 -3.150 25476 77 1 1 . 1 1 16 16 PHE CB C 16 38.800 38.800 37.833 0.967 25476 78 1 1 . 1 1 16 16 PHE H H 16 9.130 9.130 8.495 0.635 25476 79 1 1 . 1 1 17 17 THR N N 17 120.130 120.130 115.889 4.241 25476 80 1 1 . 1 1 17 17 THR HA H 17 4.370 4.370 3.881 0.489 25476 81 1 1 . 1 1 17 17 THR C C 17 175.550 175.550 175.827 -0.277 25476 82 1 1 . 1 1 17 17 THR CA C 17 66.840 66.840 65.643 1.197 25476 83 1 1 . 1 1 17 17 THR CB C 17 68.920 68.920 68.493 0.427 25476 84 1 1 . 1 1 17 17 THR H H 17 8.940 8.940 7.574 1.366 25476 85 1 1 . 1 1 18 18 ALA N N 18 122.170 122.170 122.703 -0.533 25476 86 1 1 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.153 0.227 25476 87 1 1 . 1 1 18 18 ALA C C 18 178.110 178.110 177.505 0.605 25476 88 1 1 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.170 0.219 25476 89 1 1 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.564 -0.264 25476 90 1 1 . 1 1 18 18 ALA H H 18 7.310 7.310 7.630 -0.320 25476 91 1 1 . 1 1 19 19 LEU N N 19 116.080 116.080 116.730 -0.650 25476 92 1 1 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.333 0.037 25476 93 1 1 . 1 1 19 19 LEU C C 19 176.620 176.620 176.063 0.557 25476 94 1 1 . 1 1 19 19 LEU CA C 19 56.630 56.630 53.927 2.703 25476 95 1 1 . 1 1 19 19 LEU CB C 19 42.420 42.420 41.914 0.506 25476 96 1 1 . 1 1 19 19 LEU H H 19 7.580 7.580 7.343 0.237 25476 97 1 1 . 1 1 20 20 GLY N N 20 103.280 103.280 106.362 -3.082 25476 98 1 1 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.888 -0.828 25476 99 1 1 . 1 1 20 20 GLY H H 20 7.650 7.650 7.175 0.475 25476 100 1 1 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.325 0.545 25476 101 1 1 . 1 1 21 21 PRO C C 21 174.850 174.850 176.199 -1.349 25476 102 1 1 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.330 0.810 25476 103 1 1 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.394 -3.494 25476 104 1 1 . 1 1 22 22 TYR N N 22 120.690 120.690 117.259 3.431 25476 105 1 1 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.221 0.959 25476 106 1 1 . 1 1 22 22 TYR C C 22 176.340 176.340 176.457 -0.117 25476 107 1 1 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.242 -1.462 25476 108 1 1 . 1 1 22 22 TYR CB C 22 41.500 41.500 37.875 3.625 25476 109 1 1 . 1 1 22 22 TYR H H 22 7.680 7.680 8.290 -0.610 25476 110 1 1 . 1 1 23 23 ILE N N 23 119.130 119.130 124.089 -4.959 25476 111 1 1 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.124 -0.004 25476 112 1 1 . 1 1 23 23 ILE C C 23 174.210 174.210 176.563 -2.353 25476 113 1 1 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.489 0.341 25476 114 1 1 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.183 0.317 25476 115 1 1 . 1 1 23 23 ILE H H 23 8.860 8.860 8.403 0.457 25476 116 1 1 . 1 1 24 24 ARG N N 24 126.540 126.540 127.375 -0.835 25476 117 1 1 . 1 1 24 24 ARG C C 24 177.290 177.290 175.605 1.685 25476 118 1 1 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.507 -3.417 25476 119 1 1 . 1 1 24 24 ARG H H 24 8.100 8.100 9.106 -1.006 25476 120 1 1 . 1 1 25 25 GLU N N 25 126.990 126.990 123.178 3.812 25476 121 1 1 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.633 -0.533 25476 122 1 1 . 1 1 25 25 GLU C C 25 176.780 176.780 175.960 0.820 25476 123 1 1 . 1 1 25 25 GLU CA C 25 60.860 60.860 56.267 4.593 25476 124 1 1 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.527 -0.877 25476 125 1 1 . 1 1 25 25 GLU H H 25 9.400 9.400 8.256 1.144 25476 126 1 1 . 1 1 26 26 GLY N N 26 109.830 109.830 111.703 -1.873 25476 127 1 1 . 1 1 26 26 GLY C C 26 174.380 174.380 172.895 1.485 25476 128 1 1 . 1 1 26 26 GLY CA C 26 45.520 45.520 45.098 0.422 25476 129 1 1 . 1 1 26 26 GLY H H 26 8.070 8.070 8.487 -0.417 25476 130 1 1 . 1 1 27 27 GLN N N 27 117.670 117.670 118.733 -1.063 25476 131 1 1 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.728 -0.418 25476 132 1 1 . 1 1 27 27 GLN C C 27 175.350 175.350 174.778 0.572 25476 133 1 1 . 1 1 27 27 GLN CA C 27 55.320 55.320 55.912 -0.592 25476 134 1 1 . 1 1 27 27 GLN CB C 27 29.340 29.340 29.810 -0.470 25476 135 1 1 . 1 1 27 27 GLN H H 27 7.690 7.690 8.402 -0.712 25476 136 1 1 . 1 1 28 28 CYS N N 28 119.770 119.770 123.061 -3.291 25476 137 1 1 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.453 0.087 25476 138 1 1 . 1 1 28 28 CYS C C 28 173.480 173.480 175.040 -1.560 25476 139 1 1 . 1 1 28 28 CYS CA C 28 58.810 58.810 58.245 0.565 25476 140 1 1 . 1 1 28 28 CYS CB C 28 27.070 27.070 29.815 -2.745 25476 141 1 1 . 1 1 28 28 CYS H H 28 7.510 7.510 8.343 -0.833 25476 142 1 1 . 1 1 29 29 GLU N N 29 124.370 124.370 125.287 -0.917 25476 143 1 1 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.083 0.457 25476 144 1 1 . 1 1 29 29 GLU C C 29 174.810 174.810 176.060 -1.250 25476 145 1 1 . 1 1 29 29 GLU CA C 29 55.560 55.560 57.414 -1.854 25476 146 1 1 . 1 1 29 29 GLU CB C 29 30.030 30.030 29.783 0.247 25476 147 1 1 . 1 1 29 29 GLU H H 29 7.840 7.840 8.506 -0.666 25476 148 1 1 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.729 -0.149 25476 149 1 1 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.981 0.469 25476 150 1 1 . 1 1 31 31 ASN CB C 31 39.200 39.200 38.150 1.050 25476 151 1 1 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.650 0.860 25476 152 1 1 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.866 0.184 25476 153 1 1 . 1 1 32 32 ARG CB C 32 33.480 33.480 34.038 -0.557 25476 154 1 1 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.726 0.514 25476 155 1 1 . 1 1 34 34 PHE C C 34 172.210 172.210 174.479 -2.269 25476 156 1 1 . 1 1 34 34 PHE CA C 34 57.690 57.690 56.547 1.143 25476 157 1 1 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.371 2.729 25476 158 1 1 . 1 1 35 35 PHE N N 35 125.800 125.800 121.450 4.350 25476 159 1 1 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.965 0.205 25476 160 1 1 . 1 1 35 35 PHE C C 35 173.110 173.110 174.299 -1.189 25476 161 1 1 . 1 1 35 35 PHE CA C 35 54.860 54.860 55.244 -0.384 25476 162 1 1 . 1 1 35 35 PHE CB C 35 43.250 43.250 41.674 1.576 25476 163 1 1 . 1 1 35 35 PHE H H 35 8.660 8.660 7.901 0.759 25476 164 1 1 . 1 1 36 36 ASP N N 36 120.960 120.960 120.418 0.542 25476 165 1 1 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.797 -0.217 25476 166 1 1 . 1 1 36 36 ASP CA C 36 54.160 54.160 53.169 0.991 25476 167 1 1 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.271 -0.241 25476 168 1 1 . 1 1 36 36 ASP H H 36 9.370 9.370 8.613 0.757 25476 169 1 1 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.578 -0.588 25476 170 1 1 . 1 1 37 37 CYS C C 37 173.460 173.460 173.618 -0.158 25476 171 1 1 . 1 1 37 37 CYS CA C 37 57.610 57.610 58.161 -0.551 25476 172 1 1 . 1 1 37 37 CYS CB C 37 27.170 27.170 29.793 -2.623 25476 173 1 1 . 1 1 38 38 LEU N N 38 131.890 131.890 128.352 3.538 25476 174 1 1 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.887 -0.677 25476 175 1 1 . 1 1 38 38 LEU C C 38 175.570 175.570 176.211 -0.641 25476 176 1 1 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.465 -0.935 25476 177 1 1 . 1 1 38 38 LEU CB C 38 37.270 37.270 42.560 -5.290 25476 178 1 1 . 1 1 38 38 LEU H H 38 8.430 8.430 8.499 -0.069 25476 179 1 1 . 1 1 39 39 ALA N N 39 127.100 127.100 129.418 -2.318 25476 180 1 1 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.614 -0.274 25476 181 1 1 . 1 1 39 39 ALA C C 39 178.500 178.500 176.197 2.303 25476 182 1 1 . 1 1 39 39 ALA CA C 39 55.380 55.380 53.000 2.380 25476 183 1 1 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.843 0.267 25476 184 1 1 . 1 1 39 39 ALA H H 39 7.960 7.960 9.335 -1.375 25476 185 1 1 . 1 1 40 40 VAL N N 40 116.260 116.260 117.766 -1.506 25476 186 1 1 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.530 0.090 25476 187 1 1 . 1 1 40 40 VAL C C 40 173.990 173.990 174.994 -1.004 25476 188 1 1 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.203 0.737 25476 189 1 1 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.213 1.267 25476 190 1 1 . 1 1 40 40 VAL H H 40 8.590 8.590 7.766 0.824 25476 191 1 1 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.644 -0.764 25476 192 1 1 . 1 1 41 41 CYS C C 41 174.640 174.640 176.167 -1.527 25476 193 1 1 . 1 1 41 41 CYS CA C 41 59.280 59.280 59.174 0.106 25476 194 1 1 . 1 1 41 41 CYS CB C 41 26.700 26.700 28.107 -1.407 25476 195 1 1 . 1 1 42 42 VAL N N 42 131.320 131.320 124.220 7.100 25476 196 1 1 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.965 -0.485 25476 197 1 1 . 1 1 42 42 VAL C C 42 176.270 176.270 176.587 -0.317 25476 198 1 1 . 1 1 42 42 VAL CA C 42 65.390 65.390 65.637 -0.247 25476 199 1 1 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.718 0.121 25476 200 1 1 . 1 1 42 42 VAL H H 42 8.610 8.610 8.531 0.079 25476 201 1 1 . 1 1 43 43 ASN N N 43 116.070 116.070 114.932 1.138 25476 202 1 1 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.990 -0.200 25476 203 1 1 . 1 1 43 43 ASN C C 43 175.160 175.160 174.198 0.962 25476 204 1 1 . 1 1 43 43 ASN CA C 43 52.690 52.690 52.456 0.234 25476 205 1 1 . 1 1 43 43 ASN CB C 43 39.940 39.940 41.141 -1.201 25476 206 1 1 . 1 1 43 43 ASN H H 43 7.280 7.280 8.141 -0.861 25476 207 1 1 . 1 1 44 44 VAL N N 44 121.350 121.350 120.311 1.039 25476 208 1 1 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.315 -0.195 25476 209 1 1 . 1 1 44 44 VAL C C 44 175.460 175.460 176.197 -0.737 25476 210 1 1 . 1 1 44 44 VAL CA C 44 61.930 61.930 62.789 -0.859 25476 211 1 1 . 1 1 44 44 VAL CB C 44 31.630 31.630 33.272 -1.642 25476 212 1 1 . 1 1 44 44 VAL H H 44 8.520 8.520 8.403 0.117 25476 213 1 1 . 1 1 45 45 LYS N N 45 123.190 123.190 119.905 3.285 25476 214 1 1 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.230 -0.020 25476 215 1 1 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.091 0.989 25476 216 1 1 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.584 -0.084 25476 217 1 1 . 1 1 45 45 LYS H H 45 8.100 8.100 8.273 -0.173 25476 218 1 1 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.425 -0.055 25476 219 1 1 . 1 1 46 46 PRO C C 46 174.380 174.380 175.596 -1.216 25476 220 1 1 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.541 0.519 25476 221 1 1 . 1 1 46 46 PRO CB C 46 31.660 31.660 32.094 -0.434 25476 222 1 1 . 1 1 47 47 ALA N N 47 124.500 124.500 120.445 4.055 25476 223 1 1 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.486 -0.016 25476 224 1 1 . 1 1 47 47 ALA C C 47 176.130 176.130 177.124 -0.994 25476 225 1 1 . 1 1 47 47 ALA CA C 47 50.740 50.740 50.250 0.490 25476 226 1 1 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.824 -1.524 25476 227 1 1 . 1 1 47 47 ALA H H 47 8.300 8.300 8.271 0.029 25476 228 1 1 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.512 -0.702 25476 229 1 1 . 1 1 48 48 PRO C C 48 178.270 178.270 178.678 -0.408 25476 230 1 1 . 1 1 48 48 PRO CA C 48 66.150 66.150 65.083 1.067 25476 231 1 1 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.175 -0.185 25476 232 1 1 . 1 1 49 49 GLU N N 49 116.300 116.300 117.676 -1.376 25476 233 1 1 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.115 0.175 25476 234 1 1 . 1 1 49 49 GLU C C 49 176.550 176.550 177.383 -0.833 25476 235 1 1 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.740 -0.620 25476 236 1 1 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.848 -0.558 25476 237 1 1 . 1 1 49 49 GLU H H 49 9.390 9.390 8.843 0.547 25476 238 1 1 . 1 1 50 50 LYS N N 50 120.030 120.030 116.859 3.171 25476 239 1 1 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.164 0.296 25476 240 1 1 . 1 1 50 50 LYS C C 50 175.070 175.070 176.609 -1.539 25476 241 1 1 . 1 1 50 50 LYS CA C 50 54.670 54.670 56.522 -1.852 25476 242 1 1 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.767 0.403 25476 243 1 1 . 1 1 50 50 LYS H H 50 8.350 8.350 8.012 0.338 25476 244 1 1 . 1 1 51 51 ARG N N 51 119.720 119.720 118.725 0.995 25476 245 1 1 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.403 -0.103 25476 246 1 1 . 1 1 51 51 ARG C C 51 174.530 174.530 174.309 0.221 25476 247 1 1 . 1 1 51 51 ARG CA C 51 56.690 56.690 54.502 2.188 25476 248 1 1 . 1 1 51 51 ARG CB C 51 32.000 32.000 33.022 -1.022 25476 249 1 1 . 1 1 51 51 ARG H H 51 7.220 7.220 7.266 -0.046 25476 250 1 1 . 1 1 52 52 GLU N N 52 119.700 119.700 117.951 1.749 25476 251 1 1 . 1 1 52 52 GLU HA H 52 4.690 4.690 3.800 0.890 25476 252 1 1 . 1 1 52 52 GLU C C 52 175.260 175.260 175.407 -0.147 25476 253 1 1 . 1 1 52 52 GLU CA C 52 54.730 54.730 55.795 -1.065 25476 254 1 1 . 1 1 52 52 GLU H H 52 8.690 8.690 8.201 0.489 25476 255 1 1 . 1 1 53 53 PHE N N 53 116.950 116.950 117.161 -0.211 25476 256 1 1 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.671 0.489 25476 257 1 1 . 1 1 53 53 PHE C C 53 174.970 174.970 174.887 0.083 25476 258 1 1 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.613 1.347 25476 259 1 1 . 1 1 53 53 PHE CB C 53 44.210 44.210 42.260 1.950 25476 260 1 1 . 1 1 53 53 PHE H H 53 8.590 8.590 7.568 1.022 25476 261 1 1 . 1 1 54 54 TRP N N 54 123.100 123.100 119.989 3.111 25476 262 1 1 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.821 1.079 25476 263 1 1 . 1 1 54 54 TRP C C 54 177.820 177.820 175.841 1.979 25476 264 1 1 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.091 -0.851 25476 265 1 1 . 1 1 54 54 TRP CB C 54 31.870 31.870 31.250 0.620 25476 266 1 1 . 1 1 54 54 TRP H H 54 9.520 9.520 9.153 0.367 25476 267 1 1 . 1 1 55 55 GLY N N 55 110.840 110.840 109.358 1.482 25476 268 1 1 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.110 2.130 25476 269 1 1 . 1 1 55 55 GLY H H 55 9.550 9.550 8.328 1.222 25476 270 1 1 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.805 0.405 25476 271 1 1 . 1 1 57 57 TRP CA C 57 57.700 57.700 54.713 2.987 25476 272 1 1 . 1 1 58 58 MET N N 58 122.630 122.630 123.727 -1.097 25476 273 1 1 . 1 1 58 58 MET HA H 58 4.370 4.370 5.083 -0.713 25476 274 1 1 . 1 1 58 58 MET CA C 58 55.230 55.230 53.882 1.349 25476 275 1 1 . 1 1 58 58 MET CB C 58 35.910 35.910 34.114 1.796 25476 276 1 1 . 1 1 58 58 MET H H 58 9.680 9.680 8.329 1.351 25476 277 1 1 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.732 0.698 25476 278 1 1 . 1 1 59 59 GLU C C 59 175.570 175.570 175.100 0.470 25476 279 1 1 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.103 0.157 25476 280 1 1 . 1 1 60 60 LEU N N 60 126.920 126.920 120.600 6.320 25476 281 1 1 . 1 1 60 60 LEU HA H 60 6.060 6.060 5.067 0.993 25476 282 1 1 . 1 1 60 60 LEU C C 60 176.470 176.470 175.440 1.030 25476 283 1 1 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.486 -0.876 25476 284 1 1 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.331 2.149 25476 285 1 1 . 1 1 60 60 LEU H H 60 9.610 9.610 7.585 2.025 25476 286 1 1 . 1 1 61 61 GLU N N 61 123.560 123.560 120.541 3.019 25476 287 1 1 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.756 0.424 25476 288 1 1 . 1 1 61 61 GLU C C 61 174.930 174.930 175.479 -0.549 25476 289 1 1 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.508 0.542 25476 290 1 1 . 1 1 61 61 GLU CB C 61 32.200 32.200 33.108 -0.908 25476 291 1 1 . 1 1 61 61 GLU H H 61 9.070 9.070 8.342 0.728 25476 292 1 1 . 1 1 62 62 ALA N N 62 129.830 129.830 130.481 -0.651 25476 293 1 1 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.315 -0.195 25476 294 1 1 . 1 1 62 62 ALA C C 62 175.760 175.760 176.949 -1.189 25476 295 1 1 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.302 0.378 25476 296 1 1 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.633 2.697 25476 297 1 1 . 1 1 62 62 ALA H H 62 9.030 9.030 8.746 0.284 25476 298 1 1 . 1 1 63 63 GLN N N 63 122.550 122.550 123.162 -0.612 25476 299 1 1 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.213 0.537 25476 300 1 1 . 1 1 63 63 GLN C C 63 175.470 175.470 177.793 -2.323 25476 301 1 1 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.799 -0.859 25476 302 1 1 . 1 1 63 63 GLN CB C 63 29.650 29.650 29.708 -0.058 25476 303 1 1 . 1 1 63 63 GLN H H 63 8.170 8.170 8.013 0.157 25476 304 1 1 . 1 1 64 64 GLU N N 64 120.760 120.760 119.626 1.134 25476 305 1 1 . 1 1 64 64 GLU HA H 64 3.550 3.550 3.964 -0.414 25476 306 1 1 . 1 1 64 64 GLU C C 64 176.740 176.740 176.544 0.196 25476 307 1 1 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.600 1.740 25476 308 1 1 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.826 -0.205 25476 309 1 1 . 1 1 64 64 GLU H H 64 8.730 8.730 8.548 0.182 25476 310 1 1 . 1 1 65 65 LYS N N 65 112.820 112.820 113.886 -1.066 25476 311 1 1 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.493 0.137 25476 312 1 1 . 1 1 65 65 LYS C C 65 175.960 175.960 174.788 1.172 25476 313 1 1 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.565 -0.775 25476 314 1 1 . 1 1 65 65 LYS CB C 65 33.300 33.300 31.699 1.601 25476 315 1 1 . 1 1 65 65 LYS H H 65 8.750 8.750 8.057 0.693 25476 316 1 1 . 1 1 66 66 ARG N N 66 115.100 115.100 117.007 -1.907 25476 317 1 1 . 1 1 66 66 ARG HA H 66 5.300 5.300 5.132 0.168 25476 318 1 1 . 1 1 66 66 ARG C C 66 172.980 172.980 173.843 -0.863 25476 319 1 1 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.474 -1.944 25476 320 1 1 . 1 1 66 66 ARG CB C 66 33.000 33.000 32.989 0.011 25476 321 1 1 . 1 1 66 66 ARG H H 66 7.520 7.520 7.662 -0.142 25476 322 1 1 . 1 1 67 67 PHE N N 67 119.960 119.960 117.631 2.329 25476 323 1 1 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.968 0.772 25476 324 1 1 . 1 1 67 67 PHE C C 67 176.040 176.040 174.303 1.737 25476 325 1 1 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.419 -1.299 25476 326 1 1 . 1 1 67 67 PHE CB C 67 41.950 41.950 44.098 -2.148 25476 327 1 1 . 1 1 67 67 PHE H H 67 9.220 9.220 9.174 0.046 25476 328 1 1 . 1 1 68 68 THR N N 68 111.030 111.030 118.265 -7.235 25476 329 1 1 . 1 1 68 68 THR HA H 68 6.310 6.310 4.920 1.390 25476 330 1 1 . 1 1 68 68 THR C C 68 175.340 175.340 172.508 2.832 25476 331 1 1 . 1 1 68 68 THR CA C 68 57.990 57.990 61.049 -3.059 25476 332 1 1 . 1 1 68 68 THR CB C 68 70.260 70.260 70.909 -0.649 25476 333 1 1 . 1 1 68 68 THR H H 68 9.200 9.200 8.488 0.712 25476 334 1 1 . 1 1 69 69 TYR N N 69 115.700 115.700 124.890 -9.190 25476 335 1 1 . 1 1 69 69 TYR HA H 69 6.090 6.090 5.035 1.055 25476 336 1 1 . 1 1 69 69 TYR C C 69 173.310 173.310 172.753 0.557 25476 337 1 1 . 1 1 69 69 TYR CA C 69 55.500 55.500 55.163 0.337 25476 338 1 1 . 1 1 69 69 TYR CB C 69 44.600 44.600 40.529 4.071 25476 339 1 1 . 1 1 69 69 TYR H H 69 8.190 8.190 8.445 -0.255 25476 340 1 1 . 1 1 70 70 ARG N N 70 115.070 115.070 117.530 -2.460 25476 341 1 1 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.152 1.358 25476 342 1 1 . 1 1 70 70 ARG C C 70 175.220 175.220 174.126 1.094 25476 343 1 1 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.584 0.567 25476 344 1 1 . 1 1 70 70 ARG CB C 70 32.780 32.780 34.465 -1.685 25476 345 1 1 . 1 1 70 70 ARG H H 70 8.160 8.160 8.089 0.071 25476 346 1 1 . 1 1 71 71 TYR N N 71 118.750 118.750 120.813 -2.063 25476 347 1 1 . 1 1 71 71 TYR CA C 71 56.120 56.120 58.417 -2.297 25476 348 1 1 . 1 1 71 71 TYR H H 71 9.220 9.220 8.518 0.702 25476 349 1 1 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.745 -0.325 25476 350 1 1 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.525 0.325 25476 351 1 1 . 1 1 72 72 GLN CB C 72 30.990 30.990 32.391 -1.401 25476 352 1 1 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.532 1.298 25476 353 1 1 . 1 1 73 73 PHE C C 73 177.280 177.280 175.313 1.967 25476 354 1 1 . 1 1 73 73 PHE CA C 73 53.680 53.680 58.156 -4.476 25476 355 1 1 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.362 -0.562 25476 356 1 1 . 1 1 74 74 GLY N N 74 108.520 108.520 108.420 0.100 25476 357 1 1 . 1 1 74 74 GLY CA C 74 47.480 47.480 44.948 2.532 25476 358 1 1 . 1 1 74 74 GLY H H 74 9.350 9.350 7.861 1.489 25476 359 1 1 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.016 0.354 25476 360 1 1 . 1 1 75 75 LEU C C 75 174.270 174.270 174.688 -0.418 25476 361 1 1 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.595 -0.805 25476 362 1 1 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.176 0.684 25476 363 1 1 . 1 1 76 76 PHE N N 76 135.230 135.230 126.648 8.582 25476 364 1 1 . 1 1 76 76 PHE HA H 76 4.340 4.340 4.986 -0.646 25476 365 1 1 . 1 1 76 76 PHE C C 76 174.690 174.690 174.004 0.686 25476 366 1 1 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.312 0.588 25476 367 1 1 . 1 1 76 76 PHE H H 76 9.840 9.840 8.540 1.300 25476 368 1 1 . 1 1 77 77 ASP N N 77 125.580 125.580 127.491 -1.911 25476 369 1 1 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.364 -0.034 25476 370 1 1 . 1 1 77 77 ASP C C 77 178.310 178.310 176.033 2.277 25476 371 1 1 . 1 1 77 77 ASP CA C 77 52.750 52.750 54.113 -1.363 25476 372 1 1 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.016 -0.556 25476 373 1 1 . 1 1 77 77 ASP H H 77 7.940 7.940 8.133 -0.193 25476 374 1 1 . 1 1 78 78 LYS N N 78 116.610 116.610 119.046 -2.436 25476 375 1 1 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.869 0.221 25476 376 1 1 . 1 1 78 78 LYS C C 78 176.910 176.910 177.231 -0.321 25476 377 1 1 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.279 -0.699 25476 378 1 1 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.145 -1.115 25476 379 1 1 . 1 1 78 78 LYS H H 78 9.030 9.030 8.344 0.686 25476 380 1 1 . 1 1 79 79 GLU N N 79 120.510 120.510 119.282 1.228 25476 381 1 1 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.226 0.034 25476 382 1 1 . 1 1 79 79 GLU C C 79 176.160 176.160 176.671 -0.511 25476 383 1 1 . 1 1 79 79 GLU CA C 79 55.330 55.330 55.931 -0.601 25476 384 1 1 . 1 1 79 79 GLU CB C 79 29.420 29.420 28.771 0.649 25476 385 1 1 . 1 1 79 79 GLU H H 79 7.850 7.850 7.965 -0.115 25476 386 1 1 . 1 1 80 80 GLY N N 80 109.610 109.610 107.295 2.315 25476 387 1 1 . 1 1 80 80 GLY C C 80 172.820 172.820 174.291 -1.471 25476 388 1 1 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.479 -0.099 25476 389 1 1 . 1 1 80 80 GLY H H 80 7.800 7.800 7.662 0.138 25476 390 1 1 . 1 1 81 81 ASN N N 81 117.680 117.680 117.318 0.362 25476 391 1 1 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.753 -0.043 25476 392 1 1 . 1 1 81 81 ASN C C 81 174.110 174.110 175.234 -1.124 25476 393 1 1 . 1 1 81 81 ASN CA C 81 51.160 51.160 52.180 -1.020 25476 394 1 1 . 1 1 81 81 ASN CB C 81 40.160 40.160 40.289 -0.129 25476 395 1 1 . 1 1 81 81 ASN H H 81 7.560 7.560 7.809 -0.249 25476 396 1 1 . 1 1 82 82 TRP N N 82 122.870 122.870 124.091 -1.221 25476 397 1 1 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.463 0.687 25476 398 1 1 . 1 1 82 82 TRP C C 82 177.480 177.480 175.521 1.959 25476 399 1 1 . 1 1 82 82 TRP CA C 82 57.260 57.260 58.410 -1.150 25476 400 1 1 . 1 1 82 82 TRP H H 82 8.480 8.480 8.473 0.007 25476 401 1 1 . 1 1 83 83 THR N N 83 118.050 118.050 124.022 -5.972 25476 402 1 1 . 1 1 83 83 THR HA H 83 4.820 4.820 4.132 0.688 25476 403 1 1 . 1 1 83 83 THR C C 83 173.630 173.630 172.560 1.070 25476 404 1 1 . 1 1 83 83 THR CA C 83 60.470 60.470 60.890 -0.420 25476 405 1 1 . 1 1 83 83 THR CB C 83 72.050 72.050 70.887 1.163 25476 406 1 1 . 1 1 83 83 THR H H 83 9.280 9.280 8.060 1.220 25476 407 1 1 . 1 1 84 84 VAL N N 84 125.990 125.990 122.230 3.760 25476 408 1 1 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.645 -0.115 25476 409 1 1 . 1 1 84 84 VAL C C 84 175.440 175.440 174.744 0.696 25476 410 1 1 . 1 1 84 84 VAL CA C 84 64.280 64.280 61.303 2.977 25476 411 1 1 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.565 0.065 25476 412 1 1 . 1 1 84 84 VAL H H 84 9.100 9.100 7.782 1.318 25476 413 1 1 . 1 1 85 85 VAL N N 85 124.640 124.640 123.587 1.053 25476 414 1 1 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.737 0.233 25476 415 1 1 . 1 1 85 85 VAL CA C 85 58.050 58.050 58.517 -0.467 25476 416 1 1 . 1 1 85 85 VAL CB C 85 35.190 35.190 33.055 2.135 25476 417 1 1 . 1 1 85 85 VAL H H 85 7.430 7.430 8.177 -0.747 25476 418 1 1 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.490 -0.010 25476 419 1 1 . 1 1 86 86 PRO C C 86 175.970 175.970 175.888 0.082 25476 420 1 1 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.688 0.231 25476 421 1 1 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.269 -0.339 25476 422 1 1 . 1 1 87 87 ILE N N 87 123.980 123.980 121.559 2.421 25476 423 1 1 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.235 0.685 25476 424 1 1 . 1 1 87 87 ILE C C 87 175.510 175.510 175.221 0.289 25476 425 1 1 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.801 0.319 25476 426 1 1 . 1 1 87 87 ILE CB C 87 37.550 37.550 37.006 0.544 25476 427 1 1 . 1 1 87 87 ILE H H 87 8.500 8.500 8.055 0.445 25476 428 1 1 . 1 1 88 88 ASN N N 88 119.050 119.050 125.143 -6.093 25476 429 1 1 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.690 -0.330 25476 430 1 1 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.518 -0.308 25476 431 1 1 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.507 -1.767 25476 432 1 1 . 1 1 88 88 ASN H H 88 8.390 8.390 8.098 0.292 25476 433 1 1 . 1 1 90 90 THR HA H 90 3.800 3.800 3.865 -0.065 25476 434 1 1 . 1 1 90 90 THR C C 90 175.860 175.860 175.653 0.207 25476 435 1 1 . 1 1 90 90 THR CA C 90 66.300 66.300 65.889 0.411 25476 436 1 1 . 1 1 90 90 THR CB C 90 68.380 68.380 68.736 -0.356 25476 437 1 1 . 1 1 91 91 GLU N N 91 120.430 120.430 119.542 0.888 25476 438 1 1 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.042 0.068 25476 439 1 1 . 1 1 91 91 GLU C C 91 179.320 179.320 178.677 0.643 25476 440 1 1 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.065 0.395 25476 441 1 1 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.856 0.184 25476 442 1 1 . 1 1 91 91 GLU H H 91 9.440 9.440 8.694 0.746 25476 443 1 1 . 1 1 92 92 VAL N N 92 119.810 119.810 119.983 -0.173 25476 444 1 1 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.880 -0.260 25476 445 1 1 . 1 1 92 92 VAL C C 92 177.270 177.270 177.961 -0.691 25476 446 1 1 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.607 0.343 25476 447 1 1 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.501 -0.021 25476 448 1 1 . 1 1 92 92 VAL H H 92 7.010 7.010 7.799 -0.789 25476 449 1 1 . 1 1 93 93 VAL N N 93 120.570 120.570 120.831 -0.261 25476 450 1 1 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.584 -0.294 25476 451 1 1 . 1 1 93 93 VAL C C 93 177.970 177.970 178.165 -0.195 25476 452 1 1 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.233 1.117 25476 453 1 1 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.165 0.295 25476 454 1 1 . 1 1 93 93 VAL H H 93 7.720 7.720 7.355 0.365 25476 455 1 1 . 1 1 94 94 GLU N N 94 118.100 118.100 118.132 -0.032 25476 456 1 1 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.114 -0.004 25476 457 1 1 . 1 1 94 94 GLU C C 94 179.420 179.420 179.171 0.249 25476 458 1 1 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.340 0.310 25476 459 1 1 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.031 0.359 25476 460 1 1 . 1 1 94 94 GLU H H 94 8.320 8.320 8.019 0.301 25476 461 1 1 . 1 1 95 95 ARG N N 95 120.330 120.330 120.698 -0.368 25476 462 1 1 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.229 0.141 25476 463 1 1 . 1 1 95 95 ARG C C 95 179.510 179.510 178.809 0.701 25476 464 1 1 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.463 -0.923 25476 465 1 1 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.672 -0.052 25476 466 1 1 . 1 1 95 95 ARG H H 95 7.350 7.350 7.872 -0.522 25476 467 1 1 . 1 1 96 96 LEU N N 96 124.600 124.600 119.727 4.873 25476 468 1 1 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.479 -0.649 25476 469 1 1 . 1 1 96 96 LEU C C 96 177.600 177.600 179.654 -2.054 25476 470 1 1 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.708 1.582 25476 471 1 1 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.753 -2.153 25476 472 1 1 . 1 1 96 96 LEU H H 96 8.600 8.600 7.729 0.871 25476 473 1 1 . 1 1 97 97 GLU N N 97 118.190 118.190 119.500 -1.310 25476 474 1 1 . 1 1 97 97 GLU HA H 97 3.740 3.740 3.985 -0.245 25476 475 1 1 . 1 1 97 97 GLU C C 97 177.630 177.630 179.148 -1.518 25476 476 1 1 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.574 0.866 25476 477 1 1 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.451 -1.231 25476 478 1 1 . 1 1 97 97 GLU H H 97 8.540 8.540 7.989 0.551 25476 479 1 1 . 1 1 98 98 TYR N N 98 119.160 119.160 120.069 -0.909 25476 480 1 1 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.242 -0.172 25476 481 1 1 . 1 1 98 98 TYR C C 98 179.010 179.010 177.360 1.650 25476 482 1 1 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.724 0.396 25476 483 1 1 . 1 1 98 98 TYR CB C 98 38.790 38.790 39.028 -0.238 25476 484 1 1 . 1 1 98 98 TYR H H 98 8.380 8.380 7.863 0.517 25476 485 1 1 . 1 1 99 99 THR N N 99 109.220 109.220 114.476 -5.256 25476 486 1 1 . 1 1 99 99 THR HA H 99 4.310 4.310 4.044 0.266 25476 487 1 1 . 1 1 99 99 THR C C 99 178.320 178.320 176.941 1.379 25476 488 1 1 . 1 1 99 99 THR CA C 99 64.890 64.890 66.296 -1.406 25476 489 1 1 . 1 1 99 99 THR CB C 99 69.810 69.810 68.937 0.873 25476 490 1 1 . 1 1 99 99 THR H H 99 8.480 8.480 8.220 0.260 25476 491 1 1 . 1 1 100 100 LEU N N 100 128.250 128.250 122.913 5.337 25476 492 1 1 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.225 -0.685 25476 493 1 1 . 1 1 100 100 LEU C C 100 177.870 177.870 178.385 -0.515 25476 494 1 1 . 1 1 100 100 LEU CA C 100 58.200 58.200 58.693 -0.493 25476 495 1 1 . 1 1 100 100 LEU CB C 100 41.460 41.460 41.710 -0.250 25476 496 1 1 . 1 1 100 100 LEU H H 100 8.200 8.200 8.341 -0.141 25476 497 1 1 . 1 1 101 101 ARG N N 101 118.550 118.550 118.710 -0.160 25476 498 1 1 . 1 1 101 101 ARG HA H 101 3.610 3.610 4.082 -0.472 25476 499 1 1 . 1 1 101 101 ARG C C 101 178.930 178.930 178.755 0.175 25476 500 1 1 . 1 1 101 101 ARG CA C 101 60.460 60.460 58.944 1.516 25476 501 1 1 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.577 -0.287 25476 502 1 1 . 1 1 101 101 ARG H H 101 8.440 8.440 7.670 0.770 25476 503 1 1 . 1 1 102 102 GLU N N 102 119.760 119.760 118.888 0.872 25476 504 1 1 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.031 -0.111 25476 505 1 1 . 1 1 102 102 GLU C C 102 178.360 178.360 179.154 -0.794 25476 506 1 1 . 1 1 102 102 GLU CA C 102 58.950 58.950 59.027 -0.077 25476 507 1 1 . 1 1 102 102 GLU CB C 102 30.020 30.020 28.974 1.046 25476 508 1 1 . 1 1 102 102 GLU H H 102 7.970 7.970 7.678 0.292 25476 509 1 1 . 1 1 103 103 PHE N N 103 119.570 119.570 120.296 -0.726 25476 510 1 1 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.183 -0.263 25476 511 1 1 . 1 1 103 103 PHE C C 103 175.350 175.350 177.082 -1.732 25476 512 1 1 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.535 -0.735 25476 513 1 1 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.463 0.077 25476 514 1 1 . 1 1 103 103 PHE H H 103 7.630 7.630 8.479 -0.849 25476 515 1 1 . 1 1 104 104 HIS N N 104 119.160 119.160 119.022 0.138 25476 516 1 1 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.250 -1.220 25476 517 1 1 . 1 1 104 104 HIS C C 104 175.460 175.460 177.482 -2.022 25476 518 1 1 . 1 1 104 104 HIS CA C 104 60.710 60.710 59.806 0.903 25476 519 1 1 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.973 1.757 25476 520 1 1 . 1 1 104 104 HIS H H 104 8.800 8.800 7.891 0.909 25476 521 1 1 . 1 1 105 105 GLU N N 105 117.900 117.900 119.494 -1.594 25476 522 1 1 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.884 -0.444 25476 523 1 1 . 1 1 105 105 GLU C C 105 177.990 177.990 178.751 -0.761 25476 524 1 1 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.904 -0.294 25476 525 1 1 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.578 -0.278 25476 526 1 1 . 1 1 105 105 GLU H H 105 7.890 7.890 7.978 -0.088 25476 527 1 1 . 1 1 106 106 LYS N N 106 117.260 117.260 118.320 -1.060 25476 528 1 1 . 1 1 106 106 LYS HA H 106 3.970 3.970 4.046 -0.076 25476 529 1 1 . 1 1 106 106 LYS C C 106 179.570 179.570 178.819 0.751 25476 530 1 1 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.895 -0.185 25476 531 1 1 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.155 0.625 25476 532 1 1 . 1 1 106 106 LYS H H 106 6.870 6.870 7.508 -0.638 25476 533 1 1 . 1 1 107 107 LEU N N 107 123.180 123.180 121.619 1.561 25476 534 1 1 . 1 1 107 107 LEU HA H 107 3.450 3.450 4.077 -0.627 25476 535 1 1 . 1 1 107 107 LEU C C 107 177.170 177.170 178.727 -1.557 25476 536 1 1 . 1 1 107 107 LEU CA C 107 57.340 57.340 57.008 0.332 25476 537 1 1 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.891 0.349 25476 538 1 1 . 1 1 107 107 LEU H H 107 8.020 8.020 7.801 0.219 25476 539 1 1 . 1 1 108 108 ARG N N 108 120.070 120.070 119.998 0.072 25476 540 1 1 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.869 -0.459 25476 541 1 1 . 1 1 108 108 ARG C C 108 178.460 178.460 177.983 0.477 25476 542 1 1 . 1 1 108 108 ARG CA C 108 59.640 59.640 58.371 1.269 25476 543 1 1 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.126 0.084 25476 544 1 1 . 1 1 108 108 ARG H H 108 8.680 8.680 8.231 0.449 25476 545 1 1 . 1 1 109 109 ASP N N 109 119.480 119.480 119.524 -0.044 25476 546 1 1 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.291 0.019 25476 547 1 1 . 1 1 109 109 ASP C C 109 178.900 178.900 178.561 0.339 25476 548 1 1 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.170 -0.030 25476 549 1 1 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.468 -0.598 25476 550 1 1 . 1 1 109 109 ASP H H 109 7.890 7.890 7.508 0.382 25476 551 1 1 . 1 1 110 110 LEU N N 110 122.740 122.740 120.705 2.035 25476 552 1 1 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.925 0.175 25476 553 1 1 . 1 1 110 110 LEU C C 110 179.830 179.830 178.545 1.285 25476 554 1 1 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.890 -0.210 25476 555 1 1 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.920 -0.630 25476 556 1 1 . 1 1 110 110 LEU H H 110 7.650 7.650 7.363 0.287 25476 557 1 1 . 1 1 111 111 LEU N N 111 122.170 122.170 119.052 3.118 25476 558 1 1 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.902 -0.072 25476 559 1 1 . 1 1 111 111 LEU C C 111 179.990 179.990 179.524 0.466 25476 560 1 1 . 1 1 111 111 LEU CA C 111 58.610 58.610 57.876 0.734 25476 561 1 1 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.471 -2.091 25476 562 1 1 . 1 1 111 111 LEU H H 111 8.320 8.320 7.545 0.775 25476 563 1 1 . 1 1 112 112 ILE N N 112 122.490 122.490 117.420 5.070 25476 564 1 1 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.674 0.296 25476 565 1 1 . 1 1 112 112 ILE C C 112 180.930 180.930 177.552 3.378 25476 566 1 1 . 1 1 112 112 ILE CA C 112 64.660 64.660 64.826 -0.166 25476 567 1 1 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.767 -0.446 25476 568 1 1 . 1 1 112 112 ILE H H 112 8.790 8.790 8.099 0.691 25476 569 1 1 . 1 1 113 113 SER N N 113 119.860 119.860 115.865 3.995 25476 570 1 1 . 1 1 113 113 SER HA H 113 4.400 4.400 4.219 0.181 25476 571 1 1 . 1 1 113 113 SER C C 113 174.520 174.520 175.615 -1.095 25476 572 1 1 . 1 1 113 113 SER CA C 113 61.390 61.390 61.057 0.333 25476 573 1 1 . 1 1 113 113 SER CB C 113 62.630 62.630 63.235 -0.605 25476 574 1 1 . 1 1 113 113 SER H H 113 7.720 7.720 7.708 0.012 25476 575 1 1 . 1 1 114 114 MET N N 114 121.890 121.890 117.980 3.910 25476 576 1 1 . 1 1 114 114 MET HA H 114 4.530 4.530 4.455 0.075 25476 577 1 1 . 1 1 114 114 MET C C 114 173.850 173.850 174.762 -0.912 25476 578 1 1 . 1 1 114 114 MET CA C 114 55.330 55.330 55.109 0.221 25476 579 1 1 . 1 1 114 114 MET CB C 114 34.040 34.040 33.430 0.610 25476 580 1 1 . 1 1 114 114 MET H H 114 7.480 7.480 7.275 0.205 25476 581 1 1 . 1 1 115 115 GLU N N 115 114.160 114.160 115.640 -1.480 25476 582 1 1 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.956 -0.056 25476 583 1 1 . 1 1 115 115 GLU C C 115 174.880 174.880 175.248 -0.368 25476 584 1 1 . 1 1 115 115 GLU CA C 115 57.270 57.270 56.793 0.477 25476 585 1 1 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.082 -0.572 25476 586 1 1 . 1 1 115 115 GLU H H 115 8.110 8.110 7.461 0.649 25476 587 1 1 . 1 1 116 116 LEU N N 116 119.870 119.870 120.585 -0.715 25476 588 1 1 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.599 0.061 25476 589 1 1 . 1 1 116 116 LEU C C 116 174.910 174.910 176.380 -1.470 25476 590 1 1 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.375 -0.275 25476 591 1 1 . 1 1 116 116 LEU CB C 116 45.570 45.570 43.264 2.306 25476 592 1 1 . 1 1 116 116 LEU H H 116 7.970 7.970 7.846 0.124 25476 593 1 1 . 1 1 117 117 ALA N N 117 123.730 123.730 127.286 -3.556 25476 594 1 1 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.267 0.183 25476 595 1 1 . 1 1 117 117 ALA C C 117 174.870 174.870 175.590 -0.720 25476 596 1 1 . 1 1 117 117 ALA CA C 117 50.870 50.870 52.541 -1.671 25476 597 1 1 . 1 1 117 117 ALA CB C 117 20.700 20.700 19.601 1.099 25476 598 1 1 . 1 1 117 117 ALA H H 117 7.530 7.530 8.513 -0.983 25476 599 1 1 . 1 1 118 118 LEU N N 118 121.610 121.610 122.646 -1.036 25476 600 1 1 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.767 -0.287 25476 601 1 1 . 1 1 118 118 LEU C C 118 175.560 175.560 176.056 -0.496 25476 602 1 1 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.148 -0.308 25476 603 1 1 . 1 1 118 118 LEU CB C 118 43.490 43.490 45.826 -2.336 25476 604 1 1 . 1 1 118 118 LEU H H 118 8.250 8.250 8.382 -0.132 25476 605 1 1 . 1 1 119 119 GLU N N 119 127.300 127.300 123.015 4.285 25476 606 1 1 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.921 0.199 25476 607 1 1 . 1 1 119 119 GLU C C 119 171.510 171.510 174.107 -2.597 25476 608 1 1 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.558 -0.588 25476 609 1 1 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.530 0.340 25476 610 1 1 . 1 1 119 119 GLU H H 119 8.730 8.730 8.828 -0.098 25476 611 1 1 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.449 0.121 25476 612 1 1 . 1 1 120 120 PRO C C 120 176.420 176.420 176.069 0.351 25476 613 1 1 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.433 -0.673 25476 614 1 1 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.536 -0.146 25476 615 1 1 . 1 1 121 121 SER N N 121 117.040 117.040 113.755 3.285 25476 616 1 1 . 1 1 121 121 SER HA H 121 4.060 4.060 4.256 -0.196 25476 617 1 1 . 1 1 121 121 SER C C 121 175.150 175.150 175.899 -0.749 25476 618 1 1 . 1 1 121 121 SER CA C 121 59.230 59.230 57.490 1.740 25476 619 1 1 . 1 1 121 121 SER CB C 121 62.970 62.970 63.979 -1.009 25476 620 1 1 . 1 1 121 121 SER H H 121 8.690 8.690 8.122 0.568 25476 621 1 1 . 1 1 122 122 ASP N N 122 124.140 124.140 129.251 -5.111 25476 622 1 1 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.516 -0.146 25476 623 1 1 . 1 1 122 122 ASP C C 122 176.240 176.240 176.468 -0.228 25476 624 1 1 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.333 0.767 25476 625 1 1 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.552 -0.362 25476 626 1 1 . 1 1 122 122 ASP H H 122 8.830 8.830 8.871 -0.041 25476 627 1 1 . 1 1 123 123 ASP N N 123 115.720 115.720 118.459 -2.739 25476 628 1 1 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.587 0.033 25476 629 1 1 . 1 1 123 123 ASP C C 123 174.850 174.850 175.849 -0.999 25476 630 1 1 . 1 1 123 123 ASP CA C 123 52.790 52.790 55.414 -2.624 25476 631 1 1 . 1 1 123 123 ASP CB C 123 40.270 40.270 41.401 -1.131 25476 632 1 1 . 1 1 123 123 ASP H H 123 8.210 8.210 7.813 0.397 25476 633 1 1 . 1 1 124 124 PHE N N 124 122.440 122.440 119.237 3.203 25476 634 1 1 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.579 0.451 25476 635 1 1 . 1 1 124 124 PHE C C 124 174.040 174.040 175.264 -1.224 25476 636 1 1 . 1 1 124 124 PHE CA C 124 56.040 56.040 58.062 -2.022 25476 637 1 1 . 1 1 124 124 PHE CB C 124 42.170 42.170 40.816 1.354 25476 638 1 1 . 1 1 124 124 PHE H H 124 8.060 8.060 7.887 0.173 25476 639 1 1 . 1 1 125 125 ASN N N 125 126.850 126.850 124.310 2.540 25476 640 1 1 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.800 -0.060 25476 641 1 1 . 1 1 125 125 ASN C C 125 175.070 175.070 174.546 0.524 25476 642 1 1 . 1 1 125 125 ASN CA C 125 53.430 53.430 52.967 0.463 25476 643 1 1 . 1 1 125 125 ASN CB C 125 39.730 39.730 38.616 1.114 25476 644 1 1 . 1 1 125 125 ASN H H 125 7.700 7.700 8.697 -0.997 25476 645 1 1 . 1 1 126 126 ASP N N 126 120.330 120.330 119.529 0.801 25476 646 1 1 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.370 -0.240 25476 647 1 1 . 1 1 126 126 ASP C C 126 176.280 176.280 175.127 1.153 25476 648 1 1 . 1 1 126 126 ASP CA C 126 56.030 56.030 55.674 0.356 25476 649 1 1 . 1 1 126 126 ASP CB C 126 39.100 39.100 40.451 -1.351 25476 650 1 1 . 1 1 126 126 ASP H H 126 7.300 7.300 8.606 -1.306 25476 651 1 1 . 1 1 127 127 GLU N N 127 127.840 127.840 118.517 9.323 25476 652 1 1 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.630 -0.270 25476 653 1 1 . 1 1 127 127 GLU CA C 127 55.470 55.470 53.795 1.675 25476 654 1 1 . 1 1 127 127 GLU H H 127 8.320 8.320 8.397 -0.077 25476 655 1 1 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.671 -0.001 25476 656 1 1 . 1 1 128 128 PRO C C 128 176.010 176.010 176.674 -0.664 25476 657 1 1 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.618 1.012 25476 658 1 1 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.347 -0.407 25476 659 1 1 . 1 1 129 129 VAL N N 129 122.940 122.940 116.823 6.117 25476 660 1 1 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.967 0.023 25476 661 1 1 . 1 1 129 129 VAL C C 129 173.650 173.650 176.306 -2.656 25476 662 1 1 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.678 -1.698 25476 663 1 1 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.089 0.041 25476 664 1 1 . 1 1 129 129 VAL H H 129 7.990 7.990 8.144 -0.154 25476 665 1 1 . 1 1 130 130 LYS N N 130 124.620 124.620 125.183 -0.563 25476 666 1 1 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.201 0.309 25476 667 1 1 . 1 1 130 130 LYS C C 130 174.900 174.900 176.392 -1.492 25476 668 1 1 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.141 -2.991 25476 669 1 1 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.231 3.279 25476 670 1 1 . 1 1 130 130 LYS H H 130 8.240 8.240 8.521 -0.281 25476 671 1 1 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.197 -0.397 25476 672 1 1 . 1 1 131 131 LEU C C 131 178.400 178.400 178.130 0.270 25476 673 1 1 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.353 -0.303 25476 674 1 1 . 1 1 131 131 LEU CB C 131 40.800 40.800 41.829 -1.029 25476 675 1 1 . 1 1 132 132 SER N N 132 115.550 115.550 112.786 2.764 25476 676 1 1 . 1 1 132 132 SER HA H 132 4.610 4.610 4.543 0.067 25476 677 1 1 . 1 1 132 132 SER C C 132 172.970 172.970 174.005 -1.035 25476 678 1 1 . 1 1 132 132 SER CA C 132 58.620 58.620 57.257 1.363 25476 679 1 1 . 1 1 132 132 SER CB C 132 63.310 63.310 62.051 1.258 25476 680 1 1 . 1 1 132 132 SER H H 132 9.070 9.070 8.145 0.925 25476 681 1 2 . 1 1 2 2 THR N N 2 118.280 118.280 114.287 3.993 25476 682 1 2 . 1 1 2 2 THR HA H 2 4.550 4.550 4.580 -0.030 25476 683 1 2 . 1 1 2 2 THR C C 2 174.150 174.150 174.501 -0.351 25476 684 1 2 . 1 1 2 2 THR CA C 2 61.600 61.600 60.895 0.705 25476 685 1 2 . 1 1 2 2 THR CB C 2 69.970 69.970 70.070 -0.100 25476 686 1 2 . 1 1 2 2 THR H H 2 8.470 8.470 8.176 0.294 25476 687 1 2 . 1 1 3 3 LEU N N 3 125.130 125.130 121.240 3.890 25476 688 1 2 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.553 0.106 25476 689 1 2 . 1 1 3 3 LEU C C 3 176.690 176.690 177.939 -1.249 25476 690 1 2 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.511 0.029 25476 691 1 2 . 1 1 3 3 LEU CB C 3 40.050 40.050 40.935 -0.885 25476 692 1 2 . 1 1 3 3 LEU H H 3 8.580 8.580 8.140 0.440 25476 693 1 2 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.382 -0.022 25476 694 1 2 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.682 0.788 25476 695 1 2 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.834 0.056 25476 696 1 2 . 1 1 5 5 SER HA H 5 4.580 4.580 4.422 0.158 25476 697 1 2 . 1 1 5 5 SER C C 5 175.510 175.510 175.454 0.056 25476 698 1 2 . 1 1 5 5 SER CA C 5 59.410 59.410 58.715 0.695 25476 699 1 2 . 1 1 5 5 SER CB C 5 63.110 63.110 63.143 -0.033 25476 700 1 2 . 1 1 6 6 GLY N N 6 112.010 112.010 108.007 4.003 25476 701 1 2 . 1 1 6 6 GLY C C 6 173.300 173.300 174.167 -0.867 25476 702 1 2 . 1 1 6 6 GLY CA C 6 44.530 44.530 45.044 -0.513 25476 703 1 2 . 1 1 6 6 GLY H H 6 8.620 8.620 7.651 0.969 25476 704 1 2 . 1 1 7 7 HIS N N 7 119.440 119.440 121.100 -1.660 25476 705 1 2 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.958 -0.278 25476 706 1 2 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.584 2.756 25476 707 1 2 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.270 0.760 25476 708 1 2 . 1 1 7 7 HIS H H 7 7.170 7.170 8.017 -0.847 25476 709 1 2 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.518 0.272 25476 710 1 2 . 1 1 8 8 PRO C C 8 178.140 178.140 177.289 0.851 25476 711 1 2 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.045 -0.195 25476 712 1 2 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.987 -1.007 25476 713 1 2 . 1 1 9 9 LYS N N 9 127.570 127.570 127.425 0.145 25476 714 1 2 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.212 -0.042 25476 715 1 2 . 1 1 9 9 LYS C C 9 178.050 178.050 178.943 -0.893 25476 716 1 2 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.674 0.156 25476 717 1 2 . 1 1 9 9 LYS H H 9 9.000 9.000 8.858 0.142 25476 718 1 2 . 1 1 10 10 SER N N 10 113.610 113.610 114.447 -0.837 25476 719 1 2 . 1 1 10 10 SER HA H 10 4.120 4.120 4.286 -0.166 25476 720 1 2 . 1 1 10 10 SER C C 10 176.750 176.750 176.624 0.126 25476 721 1 2 . 1 1 10 10 SER CA C 10 61.050 61.050 61.229 -0.179 25476 722 1 2 . 1 1 10 10 SER H H 10 9.170 9.170 8.444 0.726 25476 723 1 2 . 1 1 11 11 ARG N N 11 122.220 122.220 121.384 0.836 25476 724 1 2 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.159 -0.009 25476 725 1 2 . 1 1 11 11 ARG C C 11 177.890 177.890 178.227 -0.337 25476 726 1 2 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.770 -0.490 25476 727 1 2 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.754 0.256 25476 728 1 2 . 1 1 11 11 ARG H H 11 7.100 7.100 8.332 -1.232 25476 729 1 2 . 1 1 12 12 LEU N N 12 121.360 121.360 121.702 -0.342 25476 730 1 2 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.696 -0.126 25476 731 1 2 . 1 1 12 12 LEU C C 12 177.890 177.890 178.717 -0.827 25476 732 1 2 . 1 1 12 12 LEU CA C 12 56.000 56.000 58.001 -2.001 25476 733 1 2 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.093 -1.653 25476 734 1 2 . 1 1 12 12 LEU H H 12 7.220 7.220 7.997 -0.777 25476 735 1 2 . 1 1 13 13 ILE N N 13 118.920 118.920 119.431 -0.511 25476 736 1 2 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.745 0.025 25476 737 1 2 . 1 1 13 13 ILE C C 13 179.060 179.060 178.697 0.363 25476 738 1 2 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.894 0.236 25476 739 1 2 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.665 -0.235 25476 740 1 2 . 1 1 13 13 ILE H H 13 8.590 8.590 8.660 -0.070 25476 741 1 2 . 1 1 14 14 LYS N N 14 121.950 121.950 119.648 2.302 25476 742 1 2 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.066 0.064 25476 743 1 2 . 1 1 14 14 LYS C C 14 179.810 179.810 179.438 0.372 25476 744 1 2 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.950 1.110 25476 745 1 2 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.124 -0.044 25476 746 1 2 . 1 1 14 14 LYS H H 14 7.730 7.730 7.655 0.075 25476 747 1 2 . 1 1 15 15 LYS N N 15 119.750 119.750 119.634 0.116 25476 748 1 2 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.942 0.178 25476 749 1 2 . 1 1 15 15 LYS C C 15 179.700 179.700 179.648 0.052 25476 750 1 2 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.234 -0.504 25476 751 1 2 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.201 -0.251 25476 752 1 2 . 1 1 15 15 LYS H H 15 7.800 7.800 8.063 -0.263 25476 753 1 2 . 1 1 16 16 PHE N N 16 117.660 117.660 118.629 -0.969 25476 754 1 2 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.360 0.400 25476 755 1 2 . 1 1 16 16 PHE C C 16 180.960 180.960 178.136 2.824 25476 756 1 2 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.271 -3.631 25476 757 1 2 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.230 0.570 25476 758 1 2 . 1 1 16 16 PHE H H 16 9.130 9.130 8.610 0.520 25476 759 1 2 . 1 1 17 17 THR N N 17 120.130 120.130 115.990 4.140 25476 760 1 2 . 1 1 17 17 THR HA H 17 4.370 4.370 4.252 0.118 25476 761 1 2 . 1 1 17 17 THR C C 17 175.550 175.550 176.244 -0.694 25476 762 1 2 . 1 1 17 17 THR CA C 17 66.840 66.840 65.272 1.568 25476 763 1 2 . 1 1 17 17 THR CB C 17 68.920 68.920 68.073 0.847 25476 764 1 2 . 1 1 17 17 THR H H 17 8.940 8.940 7.830 1.110 25476 765 1 2 . 1 1 18 18 ALA N N 18 122.170 122.170 123.043 -0.873 25476 766 1 2 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.289 0.091 25476 767 1 2 . 1 1 18 18 ALA C C 18 178.110 178.110 177.731 0.379 25476 768 1 2 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.463 -0.073 25476 769 1 2 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.449 -0.149 25476 770 1 2 . 1 1 18 18 ALA H H 18 7.310 7.310 7.692 -0.382 25476 771 1 2 . 1 1 19 19 LEU N N 19 116.080 116.080 116.006 0.074 25476 772 1 2 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.465 -0.095 25476 773 1 2 . 1 1 19 19 LEU C C 19 176.620 176.620 176.189 0.431 25476 774 1 2 . 1 1 19 19 LEU CA C 19 56.630 56.630 53.983 2.647 25476 775 1 2 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.077 0.343 25476 776 1 2 . 1 1 19 19 LEU H H 19 7.580 7.580 7.638 -0.058 25476 777 1 2 . 1 1 20 20 GLY N N 20 103.280 103.280 106.716 -3.436 25476 778 1 2 . 1 1 20 20 GLY CA C 20 44.060 44.060 45.128 -1.068 25476 779 1 2 . 1 1 20 20 GLY H H 20 7.650 7.650 7.430 0.220 25476 780 1 2 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.417 0.453 25476 781 1 2 . 1 1 21 21 PRO C C 21 174.850 174.850 176.195 -1.345 25476 782 1 2 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.338 0.802 25476 783 1 2 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.015 -3.115 25476 784 1 2 . 1 1 22 22 TYR N N 22 120.690 120.690 116.059 4.631 25476 785 1 2 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.416 0.764 25476 786 1 2 . 1 1 22 22 TYR C C 22 176.340 176.340 175.752 0.588 25476 787 1 2 . 1 1 22 22 TYR CA C 22 57.780 57.780 57.102 0.678 25476 788 1 2 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.019 3.481 25476 789 1 2 . 1 1 22 22 TYR H H 22 7.680 7.680 7.723 -0.043 25476 790 1 2 . 1 1 23 23 ILE N N 23 119.130 119.130 122.217 -3.087 25476 791 1 2 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.080 0.040 25476 792 1 2 . 1 1 23 23 ILE C C 23 174.210 174.210 176.470 -2.260 25476 793 1 2 . 1 1 23 23 ILE CA C 23 61.830 61.830 60.112 1.718 25476 794 1 2 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.960 -0.460 25476 795 1 2 . 1 1 23 23 ILE H H 23 8.860 8.860 8.150 0.710 25476 796 1 2 . 1 1 24 24 ARG N N 24 126.540 126.540 128.715 -2.175 25476 797 1 2 . 1 1 24 24 ARG C C 24 177.290 177.290 175.936 1.354 25476 798 1 2 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.785 -3.695 25476 799 1 2 . 1 1 24 24 ARG H H 24 8.100 8.100 8.568 -0.468 25476 800 1 2 . 1 1 25 25 GLU N N 25 126.990 126.990 127.108 -0.118 25476 801 1 2 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.641 -0.541 25476 802 1 2 . 1 1 25 25 GLU C C 25 176.780 176.780 175.473 1.307 25476 803 1 2 . 1 1 25 25 GLU CA C 25 60.860 60.860 55.670 5.190 25476 804 1 2 . 1 1 25 25 GLU CB C 25 29.650 29.650 31.150 -1.500 25476 805 1 2 . 1 1 25 25 GLU H H 25 9.400 9.400 7.938 1.462 25476 806 1 2 . 1 1 26 26 GLY N N 26 109.830 109.830 108.371 1.459 25476 807 1 2 . 1 1 26 26 GLY C C 26 174.380 174.380 173.547 0.833 25476 808 1 2 . 1 1 26 26 GLY CA C 26 45.520 45.520 45.045 0.475 25476 809 1 2 . 1 1 26 26 GLY H H 26 8.070 8.070 8.235 -0.165 25476 810 1 2 . 1 1 27 27 GLN N N 27 117.670 117.670 120.077 -2.407 25476 811 1 2 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.699 -0.389 25476 812 1 2 . 1 1 27 27 GLN C C 27 175.350 175.350 175.539 -0.189 25476 813 1 2 . 1 1 27 27 GLN CA C 27 55.320 55.320 55.344 -0.024 25476 814 1 2 . 1 1 27 27 GLN CB C 27 29.340 29.340 28.025 1.315 25476 815 1 2 . 1 1 27 27 GLN H H 27 7.690 7.690 8.484 -0.794 25476 816 1 2 . 1 1 28 28 CYS N N 28 119.770 119.770 116.609 3.161 25476 817 1 2 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.654 -0.114 25476 818 1 2 . 1 1 28 28 CYS C C 28 173.480 173.480 174.742 -1.262 25476 819 1 2 . 1 1 28 28 CYS CA C 28 58.810 58.810 58.545 0.265 25476 820 1 2 . 1 1 28 28 CYS CB C 28 27.070 27.070 30.059 -2.990 25476 821 1 2 . 1 1 28 28 CYS H H 28 7.510 7.510 8.308 -0.798 25476 822 1 2 . 1 1 29 29 GLU N N 29 124.370 124.370 121.648 2.722 25476 823 1 2 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.516 0.024 25476 824 1 2 . 1 1 29 29 GLU C C 29 174.810 174.810 174.094 0.716 25476 825 1 2 . 1 1 29 29 GLU CA C 29 55.560 55.560 55.276 0.284 25476 826 1 2 . 1 1 29 29 GLU CB C 29 30.030 30.030 30.611 -0.581 25476 827 1 2 . 1 1 29 29 GLU H H 29 7.840 7.840 7.548 0.292 25476 828 1 2 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.737 -0.157 25476 829 1 2 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.045 1.405 25476 830 1 2 . 1 1 31 31 ASN CB C 31 39.200 39.200 41.147 -1.947 25476 831 1 2 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.262 1.248 25476 832 1 2 . 1 1 32 32 ARG CA C 32 55.050 55.050 55.240 -0.190 25476 833 1 2 . 1 1 32 32 ARG CB C 32 33.480 33.480 31.544 1.936 25476 834 1 2 . 1 1 34 34 PHE HA H 34 5.240 5.240 5.353 -0.113 25476 835 1 2 . 1 1 34 34 PHE C C 34 172.210 172.210 175.036 -2.826 25476 836 1 2 . 1 1 34 34 PHE CA C 34 57.690 57.690 56.975 0.715 25476 837 1 2 . 1 1 34 34 PHE CB C 34 44.100 44.100 40.321 3.779 25476 838 1 2 . 1 1 35 35 PHE N N 35 125.800 125.800 123.206 2.594 25476 839 1 2 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.779 0.391 25476 840 1 2 . 1 1 35 35 PHE C C 35 173.110 173.110 174.519 -1.409 25476 841 1 2 . 1 1 35 35 PHE CA C 35 54.860 54.860 56.612 -1.752 25476 842 1 2 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.158 1.092 25476 843 1 2 . 1 1 35 35 PHE H H 35 8.660 8.660 8.486 0.174 25476 844 1 2 . 1 1 36 36 ASP N N 36 120.960 120.960 123.456 -2.496 25476 845 1 2 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.466 0.114 25476 846 1 2 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.432 1.728 25476 847 1 2 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.553 -0.523 25476 848 1 2 . 1 1 36 36 ASP H H 36 9.370 9.370 8.464 0.906 25476 849 1 2 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.557 -0.567 25476 850 1 2 . 1 1 37 37 CYS C C 37 173.460 173.460 173.940 -0.480 25476 851 1 2 . 1 1 37 37 CYS CA C 37 57.610 57.610 58.238 -0.628 25476 852 1 2 . 1 1 37 37 CYS CB C 37 27.170 27.170 27.972 -0.802 25476 853 1 2 . 1 1 38 38 LEU N N 38 131.890 131.890 127.057 4.833 25476 854 1 2 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.949 -0.739 25476 855 1 2 . 1 1 38 38 LEU C C 38 175.570 175.570 176.948 -1.378 25476 856 1 2 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.158 -0.629 25476 857 1 2 . 1 1 38 38 LEU CB C 38 37.270 37.270 41.374 -4.104 25476 858 1 2 . 1 1 38 38 LEU H H 38 8.430 8.430 8.926 -0.496 25476 859 1 2 . 1 1 39 39 ALA N N 39 127.100 127.100 130.209 -3.109 25476 860 1 2 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.447 -0.107 25476 861 1 2 . 1 1 39 39 ALA C C 39 178.500 178.500 177.004 1.496 25476 862 1 2 . 1 1 39 39 ALA CA C 39 55.380 55.380 53.840 1.540 25476 863 1 2 . 1 1 39 39 ALA CB C 39 21.110 21.110 19.923 1.187 25476 864 1 2 . 1 1 39 39 ALA H H 39 7.960 7.960 8.551 -0.591 25476 865 1 2 . 1 1 40 40 VAL N N 40 116.260 116.260 113.133 3.127 25476 866 1 2 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.679 -0.059 25476 867 1 2 . 1 1 40 40 VAL C C 40 173.990 173.990 174.228 -0.238 25476 868 1 2 . 1 1 40 40 VAL CA C 40 60.940 60.940 58.852 2.088 25476 869 1 2 . 1 1 40 40 VAL CB C 40 36.480 36.480 34.621 1.859 25476 870 1 2 . 1 1 40 40 VAL H H 40 8.590 8.590 7.889 0.701 25476 871 1 2 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.917 -1.037 25476 872 1 2 . 1 1 41 41 CYS C C 41 174.640 174.640 176.063 -1.423 25476 873 1 2 . 1 1 41 41 CYS CA C 41 59.280 59.280 57.608 1.672 25476 874 1 2 . 1 1 41 41 CYS CB C 41 26.700 26.700 30.620 -3.920 25476 875 1 2 . 1 1 42 42 VAL N N 42 131.320 131.320 121.293 10.027 25476 876 1 2 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.881 -0.401 25476 877 1 2 . 1 1 42 42 VAL C C 42 176.270 176.270 175.985 0.285 25476 878 1 2 . 1 1 42 42 VAL CA C 42 65.390 65.390 64.626 0.764 25476 879 1 2 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.422 0.418 25476 880 1 2 . 1 1 42 42 VAL H H 42 8.610 8.610 8.896 -0.286 25476 881 1 2 . 1 1 43 43 ASN N N 43 116.070 116.070 114.737 1.333 25476 882 1 2 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.902 -0.112 25476 883 1 2 . 1 1 43 43 ASN C C 43 175.160 175.160 173.849 1.311 25476 884 1 2 . 1 1 43 43 ASN CA C 43 52.690 52.690 52.656 0.034 25476 885 1 2 . 1 1 43 43 ASN CB C 43 39.940 39.940 39.634 0.306 25476 886 1 2 . 1 1 43 43 ASN H H 43 7.280 7.280 7.641 -0.361 25476 887 1 2 . 1 1 44 44 VAL N N 44 121.350 121.350 114.378 6.972 25476 888 1 2 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.322 -0.202 25476 889 1 2 . 1 1 44 44 VAL C C 44 175.460 175.460 176.688 -1.228 25476 890 1 2 . 1 1 44 44 VAL CA C 44 61.930 61.930 62.697 -0.767 25476 891 1 2 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.611 -0.981 25476 892 1 2 . 1 1 44 44 VAL H H 44 8.520 8.520 8.326 0.194 25476 893 1 2 . 1 1 45 45 LYS N N 45 123.190 123.190 121.076 2.114 25476 894 1 2 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.191 0.019 25476 895 1 2 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.457 0.623 25476 896 1 2 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.490 0.010 25476 897 1 2 . 1 1 45 45 LYS H H 45 8.100 8.100 8.331 -0.231 25476 898 1 2 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.429 -0.059 25476 899 1 2 . 1 1 46 46 PRO C C 46 174.380 174.380 175.959 -1.579 25476 900 1 2 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.418 0.642 25476 901 1 2 . 1 1 46 46 PRO CB C 46 31.660 31.660 32.182 -0.522 25476 902 1 2 . 1 1 47 47 ALA N N 47 124.500 124.500 122.926 1.574 25476 903 1 2 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.242 0.228 25476 904 1 2 . 1 1 47 47 ALA C C 47 176.130 176.130 178.110 -1.980 25476 905 1 2 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.824 -1.084 25476 906 1 2 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.204 -0.904 25476 907 1 2 . 1 1 47 47 ALA H H 47 8.300 8.300 8.399 -0.099 25476 908 1 2 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.240 -0.430 25476 909 1 2 . 1 1 48 48 PRO C C 48 178.270 178.270 178.335 -0.065 25476 910 1 2 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.855 1.295 25476 911 1 2 . 1 1 48 48 PRO CB C 48 31.990 31.990 31.881 0.109 25476 912 1 2 . 1 1 49 49 GLU N N 49 116.300 116.300 118.321 -2.021 25476 913 1 2 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.079 0.211 25476 914 1 2 . 1 1 49 49 GLU C C 49 176.550 176.550 177.057 -0.507 25476 915 1 2 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.649 -0.529 25476 916 1 2 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.508 -0.218 25476 917 1 2 . 1 1 49 49 GLU H H 49 9.390 9.390 8.946 0.444 25476 918 1 2 . 1 1 50 50 LYS N N 50 120.030 120.030 117.347 2.683 25476 919 1 2 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.387 0.073 25476 920 1 2 . 1 1 50 50 LYS C C 50 175.070 175.070 176.329 -1.259 25476 921 1 2 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.009 -0.339 25476 922 1 2 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.727 0.443 25476 923 1 2 . 1 1 50 50 LYS H H 50 8.350 8.350 7.303 1.047 25476 924 1 2 . 1 1 51 51 ARG N N 51 119.720 119.720 121.336 -1.616 25476 925 1 2 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.067 0.233 25476 926 1 2 . 1 1 51 51 ARG C C 51 174.530 174.530 174.899 -0.369 25476 927 1 2 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.948 -0.258 25476 928 1 2 . 1 1 51 51 ARG CB C 51 32.000 32.000 31.113 0.887 25476 929 1 2 . 1 1 51 51 ARG H H 51 7.220 7.220 7.340 -0.120 25476 930 1 2 . 1 1 52 52 GLU N N 52 119.700 119.700 120.709 -1.009 25476 931 1 2 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.085 0.605 25476 932 1 2 . 1 1 52 52 GLU C C 52 175.260 175.260 174.483 0.777 25476 933 1 2 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.472 0.258 25476 934 1 2 . 1 1 52 52 GLU H H 52 8.690 8.690 8.391 0.299 25476 935 1 2 . 1 1 53 53 PHE N N 53 116.950 116.950 118.244 -1.294 25476 936 1 2 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.860 0.300 25476 937 1 2 . 1 1 53 53 PHE C C 53 174.970 174.970 174.666 0.304 25476 938 1 2 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.719 1.240 25476 939 1 2 . 1 1 53 53 PHE CB C 53 44.210 44.210 41.844 2.366 25476 940 1 2 . 1 1 53 53 PHE H H 53 8.590 8.590 8.086 0.504 25476 941 1 2 . 1 1 54 54 TRP N N 54 123.100 123.100 119.968 3.132 25476 942 1 2 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.763 1.137 25476 943 1 2 . 1 1 54 54 TRP C C 54 177.820 177.820 176.439 1.381 25476 944 1 2 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.391 -1.151 25476 945 1 2 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.878 0.993 25476 946 1 2 . 1 1 54 54 TRP H H 54 9.520 9.520 8.891 0.629 25476 947 1 2 . 1 1 55 55 GLY N N 55 110.840 110.840 107.109 3.731 25476 948 1 2 . 1 1 55 55 GLY CA C 55 47.240 47.240 44.933 2.307 25476 949 1 2 . 1 1 55 55 GLY H H 55 9.550 9.550 8.401 1.149 25476 950 1 2 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.865 0.345 25476 951 1 2 . 1 1 57 57 TRP CA C 57 57.700 57.700 55.711 1.989 25476 952 1 2 . 1 1 58 58 MET N N 58 122.630 122.630 126.108 -3.478 25476 953 1 2 . 1 1 58 58 MET HA H 58 4.370 4.370 5.193 -0.823 25476 954 1 2 . 1 1 58 58 MET CA C 58 55.230 55.230 54.678 0.552 25476 955 1 2 . 1 1 58 58 MET CB C 58 35.910 35.910 35.042 0.868 25476 956 1 2 . 1 1 58 58 MET H H 58 9.680 9.680 8.489 1.191 25476 957 1 2 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.881 0.549 25476 958 1 2 . 1 1 59 59 GLU C C 59 175.570 175.570 175.380 0.190 25476 959 1 2 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.599 -0.339 25476 960 1 2 . 1 1 60 60 LEU N N 60 126.920 126.920 121.426 5.494 25476 961 1 2 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.841 1.219 25476 962 1 2 . 1 1 60 60 LEU C C 60 176.470 176.470 175.201 1.269 25476 963 1 2 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.510 -0.899 25476 964 1 2 . 1 1 60 60 LEU CB C 60 47.480 47.480 44.649 2.831 25476 965 1 2 . 1 1 60 60 LEU H H 60 9.610 9.610 8.198 1.412 25476 966 1 2 . 1 1 61 61 GLU N N 61 123.560 123.560 119.385 4.175 25476 967 1 2 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.515 0.665 25476 968 1 2 . 1 1 61 61 GLU C C 61 174.930 174.930 175.756 -0.826 25476 969 1 2 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.606 0.444 25476 970 1 2 . 1 1 61 61 GLU CB C 61 32.200 32.200 32.356 -0.156 25476 971 1 2 . 1 1 61 61 GLU H H 61 9.070 9.070 8.588 0.482 25476 972 1 2 . 1 1 62 62 ALA N N 62 129.830 129.830 129.264 0.566 25476 973 1 2 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.011 0.109 25476 974 1 2 . 1 1 62 62 ALA C C 62 175.760 175.760 176.702 -0.942 25476 975 1 2 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.617 0.063 25476 976 1 2 . 1 1 62 62 ALA CB C 62 21.330 21.330 19.185 2.145 25476 977 1 2 . 1 1 62 62 ALA H H 62 9.030 9.030 8.546 0.484 25476 978 1 2 . 1 1 63 63 GLN N N 63 122.550 122.550 121.612 0.938 25476 979 1 2 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.374 0.376 25476 980 1 2 . 1 1 63 63 GLN C C 63 175.470 175.470 176.754 -1.284 25476 981 1 2 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.612 -0.672 25476 982 1 2 . 1 1 63 63 GLN CB C 63 29.650 29.650 30.814 -1.165 25476 983 1 2 . 1 1 63 63 GLN H H 63 8.170 8.170 7.747 0.423 25476 984 1 2 . 1 1 64 64 GLU N N 64 120.760 120.760 119.604 1.156 25476 985 1 2 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.142 -0.592 25476 986 1 2 . 1 1 64 64 GLU C C 64 176.740 176.740 177.040 -0.300 25476 987 1 2 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.333 2.007 25476 988 1 2 . 1 1 64 64 GLU CB C 64 29.620 29.620 30.065 -0.445 25476 989 1 2 . 1 1 64 64 GLU H H 64 8.730 8.730 8.518 0.212 25476 990 1 2 . 1 1 65 65 LYS N N 65 112.820 112.820 113.123 -0.303 25476 991 1 2 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.390 0.240 25476 992 1 2 . 1 1 65 65 LYS C C 65 175.960 175.960 175.384 0.576 25476 993 1 2 . 1 1 65 65 LYS CA C 65 54.790 54.790 56.058 -1.268 25476 994 1 2 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.822 0.478 25476 995 1 2 . 1 1 65 65 LYS H H 65 8.750 8.750 7.961 0.789 25476 996 1 2 . 1 1 66 66 ARG N N 66 115.100 115.100 118.687 -3.587 25476 997 1 2 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.538 0.762 25476 998 1 2 . 1 1 66 66 ARG C C 66 172.980 172.980 173.899 -0.919 25476 999 1 2 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.299 -1.769 25476 1000 1 2 . 1 1 66 66 ARG CB C 66 33.000 33.000 33.965 -0.965 25476 1001 1 2 . 1 1 66 66 ARG H H 66 7.520 7.520 7.642 -0.122 25476 1002 1 2 . 1 1 67 67 PHE N N 67 119.960 119.960 117.295 2.665 25476 1003 1 2 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.875 0.865 25476 1004 1 2 . 1 1 67 67 PHE C C 67 176.040 176.040 173.903 2.137 25476 1005 1 2 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.900 -1.780 25476 1006 1 2 . 1 1 67 67 PHE CB C 67 41.950 41.950 43.900 -1.950 25476 1007 1 2 . 1 1 67 67 PHE H H 67 9.220 9.220 8.982 0.238 25476 1008 1 2 . 1 1 68 68 THR N N 68 111.030 111.030 120.273 -9.243 25476 1009 1 2 . 1 1 68 68 THR HA H 68 6.310 6.310 4.733 1.577 25476 1010 1 2 . 1 1 68 68 THR C C 68 175.340 175.340 173.049 2.291 25476 1011 1 2 . 1 1 68 68 THR CA C 68 57.990 57.990 60.113 -2.123 25476 1012 1 2 . 1 1 68 68 THR CB C 68 70.260 70.260 70.708 -0.448 25476 1013 1 2 . 1 1 68 68 THR H H 68 9.200 9.200 8.553 0.647 25476 1014 1 2 . 1 1 69 69 TYR N N 69 115.700 115.700 119.614 -3.914 25476 1015 1 2 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.714 1.376 25476 1016 1 2 . 1 1 69 69 TYR C C 69 173.310 173.310 172.414 0.896 25476 1017 1 2 . 1 1 69 69 TYR CA C 69 55.500 55.500 57.087 -1.587 25476 1018 1 2 . 1 1 69 69 TYR CB C 69 44.600 44.600 40.086 4.514 25476 1019 1 2 . 1 1 69 69 TYR H H 69 8.190 8.190 8.540 -0.350 25476 1020 1 2 . 1 1 70 70 ARG N N 70 115.070 115.070 122.499 -7.429 25476 1021 1 2 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.018 1.492 25476 1022 1 2 . 1 1 70 70 ARG C C 70 175.220 175.220 173.721 1.499 25476 1023 1 2 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.860 0.290 25476 1024 1 2 . 1 1 70 70 ARG CB C 70 32.780 32.780 33.708 -0.928 25476 1025 1 2 . 1 1 70 70 ARG H H 70 8.160 8.160 8.435 -0.275 25476 1026 1 2 . 1 1 71 71 TYR N N 71 118.750 118.750 119.891 -1.141 25476 1027 1 2 . 1 1 71 71 TYR CA C 71 56.120 56.120 55.595 0.525 25476 1028 1 2 . 1 1 71 71 TYR H H 71 9.220 9.220 7.507 1.713 25476 1029 1 2 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.647 -0.227 25476 1030 1 2 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.223 0.627 25476 1031 1 2 . 1 1 72 72 GLN CB C 72 30.990 30.990 33.115 -2.125 25476 1032 1 2 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.561 1.269 25476 1033 1 2 . 1 1 73 73 PHE C C 73 177.280 177.280 176.925 0.355 25476 1034 1 2 . 1 1 73 73 PHE CA C 73 53.680 53.680 58.229 -4.549 25476 1035 1 2 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.476 -0.676 25476 1036 1 2 . 1 1 74 74 GLY N N 74 108.520 108.520 109.929 -1.409 25476 1037 1 2 . 1 1 74 74 GLY CA C 74 47.480 47.480 46.030 1.450 25476 1038 1 2 . 1 1 74 74 GLY H H 74 9.350 9.350 8.289 1.061 25476 1039 1 2 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.092 0.278 25476 1040 1 2 . 1 1 75 75 LEU C C 75 174.270 174.270 174.775 -0.505 25476 1041 1 2 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.792 -1.002 25476 1042 1 2 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.432 0.428 25476 1043 1 2 . 1 1 76 76 PHE N N 76 135.230 135.230 126.766 8.464 25476 1044 1 2 . 1 1 76 76 PHE HA H 76 4.340 4.340 4.845 -0.505 25476 1045 1 2 . 1 1 76 76 PHE C C 76 174.690 174.690 174.044 0.646 25476 1046 1 2 . 1 1 76 76 PHE CA C 76 56.900 56.900 55.689 1.211 25476 1047 1 2 . 1 1 76 76 PHE H H 76 9.840 9.840 8.320 1.520 25476 1048 1 2 . 1 1 77 77 ASP N N 77 125.580 125.580 127.658 -2.078 25476 1049 1 2 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.351 -0.021 25476 1050 1 2 . 1 1 77 77 ASP C C 77 178.310 178.310 176.565 1.745 25476 1051 1 2 . 1 1 77 77 ASP CA C 77 52.750 52.750 53.256 -0.506 25476 1052 1 2 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.694 -1.234 25476 1053 1 2 . 1 1 77 77 ASP H H 77 7.940 7.940 7.962 -0.022 25476 1054 1 2 . 1 1 78 78 LYS N N 78 116.610 116.610 119.293 -2.683 25476 1055 1 2 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.790 0.300 25476 1056 1 2 . 1 1 78 78 LYS C C 78 176.910 176.910 177.029 -0.119 25476 1057 1 2 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.011 -0.431 25476 1058 1 2 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.168 -1.138 25476 1059 1 2 . 1 1 78 78 LYS H H 78 9.030 9.030 8.256 0.774 25476 1060 1 2 . 1 1 79 79 GLU N N 79 120.510 120.510 118.479 2.031 25476 1061 1 2 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.182 0.078 25476 1062 1 2 . 1 1 79 79 GLU C C 79 176.160 176.160 177.052 -0.892 25476 1063 1 2 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.257 -0.927 25476 1064 1 2 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.219 0.201 25476 1065 1 2 . 1 1 79 79 GLU H H 79 7.850 7.850 7.824 0.026 25476 1066 1 2 . 1 1 80 80 GLY N N 80 109.610 109.610 108.047 1.563 25476 1067 1 2 . 1 1 80 80 GLY C C 80 172.820 172.820 173.864 -1.044 25476 1068 1 2 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.546 -0.166 25476 1069 1 2 . 1 1 80 80 GLY H H 80 7.800 7.800 7.387 0.413 25476 1070 1 2 . 1 1 81 81 ASN N N 81 117.680 117.680 117.419 0.261 25476 1071 1 2 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.566 0.144 25476 1072 1 2 . 1 1 81 81 ASN C C 81 174.110 174.110 174.837 -0.727 25476 1073 1 2 . 1 1 81 81 ASN CA C 81 51.160 51.160 51.918 -0.758 25476 1074 1 2 . 1 1 81 81 ASN CB C 81 40.160 40.160 39.833 0.327 25476 1075 1 2 . 1 1 81 81 ASN H H 81 7.560 7.560 7.796 -0.236 25476 1076 1 2 . 1 1 82 82 TRP N N 82 122.870 122.870 122.292 0.578 25476 1077 1 2 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.188 0.962 25476 1078 1 2 . 1 1 82 82 TRP C C 82 177.480 177.480 176.736 0.744 25476 1079 1 2 . 1 1 82 82 TRP CA C 82 57.260 57.260 56.545 0.715 25476 1080 1 2 . 1 1 82 82 TRP H H 82 8.480 8.480 7.963 0.517 25476 1081 1 2 . 1 1 83 83 THR N N 83 118.050 118.050 121.119 -3.069 25476 1082 1 2 . 1 1 83 83 THR HA H 83 4.820 4.820 4.680 0.140 25476 1083 1 2 . 1 1 83 83 THR C C 83 173.630 173.630 172.888 0.742 25476 1084 1 2 . 1 1 83 83 THR CA C 83 60.470 60.470 62.129 -1.659 25476 1085 1 2 . 1 1 83 83 THR CB C 83 72.050 72.050 70.450 1.600 25476 1086 1 2 . 1 1 83 83 THR H H 83 9.280 9.280 8.542 0.738 25476 1087 1 2 . 1 1 84 84 VAL N N 84 125.990 125.990 122.629 3.361 25476 1088 1 2 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.645 -0.115 25476 1089 1 2 . 1 1 84 84 VAL C C 84 175.440 175.440 175.154 0.286 25476 1090 1 2 . 1 1 84 84 VAL CA C 84 64.280 64.280 61.995 2.285 25476 1091 1 2 . 1 1 84 84 VAL CB C 84 31.630 31.630 32.318 -0.688 25476 1092 1 2 . 1 1 84 84 VAL H H 84 9.100 9.100 8.387 0.713 25476 1093 1 2 . 1 1 85 85 VAL N N 85 124.640 124.640 122.415 2.225 25476 1094 1 2 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.872 0.098 25476 1095 1 2 . 1 1 85 85 VAL CA C 85 58.050 58.050 58.472 -0.422 25476 1096 1 2 . 1 1 85 85 VAL CB C 85 35.190 35.190 33.418 1.772 25476 1097 1 2 . 1 1 85 85 VAL H H 85 7.430 7.430 8.464 -1.034 25476 1098 1 2 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.546 -0.066 25476 1099 1 2 . 1 1 86 86 PRO C C 86 175.970 175.970 175.987 -0.017 25476 1100 1 2 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.873 0.047 25476 1101 1 2 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.173 -0.243 25476 1102 1 2 . 1 1 87 87 ILE N N 87 123.980 123.980 122.560 1.420 25476 1103 1 2 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.737 0.183 25476 1104 1 2 . 1 1 87 87 ILE C C 87 175.510 175.510 175.494 0.016 25476 1105 1 2 . 1 1 87 87 ILE CA C 87 60.120 60.120 60.142 -0.021 25476 1106 1 2 . 1 1 87 87 ILE CB C 87 37.550 37.550 37.341 0.209 25476 1107 1 2 . 1 1 87 87 ILE H H 87 8.500 8.500 8.202 0.298 25476 1108 1 2 . 1 1 88 88 ASN N N 88 119.050 119.050 125.491 -6.441 25476 1109 1 2 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.799 -0.439 25476 1110 1 2 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.832 -0.622 25476 1111 1 2 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.867 -2.127 25476 1112 1 2 . 1 1 88 88 ASN H H 88 8.390 8.390 8.376 0.014 25476 1113 1 2 . 1 1 90 90 THR HA H 90 3.800 3.800 3.946 -0.146 25476 1114 1 2 . 1 1 90 90 THR C C 90 175.860 175.860 175.661 0.199 25476 1115 1 2 . 1 1 90 90 THR CA C 90 66.300 66.300 65.420 0.880 25476 1116 1 2 . 1 1 90 90 THR CB C 90 68.380 68.380 68.740 -0.360 25476 1117 1 2 . 1 1 91 91 GLU N N 91 120.430 120.430 119.668 0.762 25476 1118 1 2 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.078 0.032 25476 1119 1 2 . 1 1 91 91 GLU C C 91 179.320 179.320 178.879 0.441 25476 1120 1 2 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.025 0.435 25476 1121 1 2 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.935 0.105 25476 1122 1 2 . 1 1 91 91 GLU H H 91 9.440 9.440 8.667 0.773 25476 1123 1 2 . 1 1 92 92 VAL N N 92 119.810 119.810 119.584 0.226 25476 1124 1 2 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.845 -0.225 25476 1125 1 2 . 1 1 92 92 VAL C C 92 177.270 177.270 177.995 -0.725 25476 1126 1 2 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.649 0.301 25476 1127 1 2 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.502 -0.022 25476 1128 1 2 . 1 1 92 92 VAL H H 92 7.010 7.010 7.987 -0.977 25476 1129 1 2 . 1 1 93 93 VAL N N 93 120.570 120.570 120.790 -0.220 25476 1130 1 2 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.595 -0.305 25476 1131 1 2 . 1 1 93 93 VAL C C 93 177.970 177.970 177.724 0.246 25476 1132 1 2 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.921 0.429 25476 1133 1 2 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.841 -0.381 25476 1134 1 2 . 1 1 93 93 VAL H H 93 7.720 7.720 7.468 0.252 25476 1135 1 2 . 1 1 94 94 GLU N N 94 118.100 118.100 118.517 -0.417 25476 1136 1 2 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.263 -0.153 25476 1137 1 2 . 1 1 94 94 GLU C C 94 179.420 179.420 179.019 0.401 25476 1138 1 2 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.493 0.157 25476 1139 1 2 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.368 0.022 25476 1140 1 2 . 1 1 94 94 GLU H H 94 8.320 8.320 8.071 0.249 25476 1141 1 2 . 1 1 95 95 ARG N N 95 120.330 120.330 120.849 -0.519 25476 1142 1 2 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.250 0.120 25476 1143 1 2 . 1 1 95 95 ARG C C 95 179.510 179.510 178.654 0.856 25476 1144 1 2 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.398 -0.858 25476 1145 1 2 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.627 -0.007 25476 1146 1 2 . 1 1 95 95 ARG H H 95 7.350 7.350 7.824 -0.474 25476 1147 1 2 . 1 1 96 96 LEU N N 96 124.600 124.600 120.273 4.327 25476 1148 1 2 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.411 -0.581 25476 1149 1 2 . 1 1 96 96 LEU C C 96 177.600 177.600 179.370 -1.770 25476 1150 1 2 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.882 1.408 25476 1151 1 2 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.379 -1.779 25476 1152 1 2 . 1 1 96 96 LEU H H 96 8.600 8.600 8.291 0.309 25476 1153 1 2 . 1 1 97 97 GLU N N 97 118.190 118.190 119.397 -1.207 25476 1154 1 2 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.054 -0.314 25476 1155 1 2 . 1 1 97 97 GLU C C 97 177.630 177.630 178.932 -1.302 25476 1156 1 2 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.389 1.051 25476 1157 1 2 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.076 -0.856 25476 1158 1 2 . 1 1 97 97 GLU H H 97 8.540 8.540 8.295 0.245 25476 1159 1 2 . 1 1 98 98 TYR N N 98 119.160 119.160 121.796 -2.636 25476 1160 1 2 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.215 -0.145 25476 1161 1 2 . 1 1 98 98 TYR C C 98 179.010 179.010 177.281 1.729 25476 1162 1 2 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.526 0.593 25476 1163 1 2 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.940 -0.149 25476 1164 1 2 . 1 1 98 98 TYR H H 98 8.380 8.380 7.912 0.468 25476 1165 1 2 . 1 1 99 99 THR N N 99 109.220 109.220 114.352 -5.132 25476 1166 1 2 . 1 1 99 99 THR HA H 99 4.310 4.310 4.119 0.191 25476 1167 1 2 . 1 1 99 99 THR C C 99 178.320 178.320 177.018 1.302 25476 1168 1 2 . 1 1 99 99 THR CA C 99 64.890 64.890 66.448 -1.558 25476 1169 1 2 . 1 1 99 99 THR CB C 99 69.810 69.810 68.655 1.155 25476 1170 1 2 . 1 1 99 99 THR H H 99 8.480 8.480 8.226 0.254 25476 1171 1 2 . 1 1 100 100 LEU N N 100 128.250 128.250 122.696 5.554 25476 1172 1 2 . 1 1 100 100 LEU HA H 100 3.540 3.540 3.939 -0.399 25476 1173 1 2 . 1 1 100 100 LEU C C 100 177.870 177.870 177.920 -0.050 25476 1174 1 2 . 1 1 100 100 LEU CA C 100 58.200 58.200 57.712 0.487 25476 1175 1 2 . 1 1 100 100 LEU CB C 100 41.460 41.460 41.364 0.097 25476 1176 1 2 . 1 1 100 100 LEU H H 100 8.200 8.200 7.539 0.661 25476 1177 1 2 . 1 1 101 101 ARG N N 101 118.550 118.550 119.682 -1.132 25476 1178 1 2 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.908 -0.298 25476 1179 1 2 . 1 1 101 101 ARG C C 101 178.930 178.930 178.434 0.496 25476 1180 1 2 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.872 0.588 25476 1181 1 2 . 1 1 101 101 ARG CB C 101 29.290 29.290 30.351 -1.061 25476 1182 1 2 . 1 1 101 101 ARG H H 101 8.440 8.440 7.536 0.904 25476 1183 1 2 . 1 1 102 102 GLU N N 102 119.760 119.760 119.006 0.754 25476 1184 1 2 . 1 1 102 102 GLU HA H 102 3.920 3.920 3.945 -0.025 25476 1185 1 2 . 1 1 102 102 GLU C C 102 178.360 178.360 178.886 -0.526 25476 1186 1 2 . 1 1 102 102 GLU CA C 102 58.950 58.950 59.202 -0.252 25476 1187 1 2 . 1 1 102 102 GLU CB C 102 30.020 30.020 28.711 1.309 25476 1188 1 2 . 1 1 102 102 GLU H H 102 7.970 7.970 8.225 -0.255 25476 1189 1 2 . 1 1 103 103 PHE N N 103 119.570 119.570 120.821 -1.251 25476 1190 1 2 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.349 -0.429 25476 1191 1 2 . 1 1 103 103 PHE C C 103 175.350 175.350 177.109 -1.759 25476 1192 1 2 . 1 1 103 103 PHE CA C 103 60.800 60.800 60.909 -0.109 25476 1193 1 2 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.809 -0.270 25476 1194 1 2 . 1 1 103 103 PHE H H 103 7.630 7.630 7.809 -0.179 25476 1195 1 2 . 1 1 104 104 HIS N N 104 119.160 119.160 119.674 -0.514 25476 1196 1 2 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.435 -1.405 25476 1197 1 2 . 1 1 104 104 HIS C C 104 175.460 175.460 177.420 -1.960 25476 1198 1 2 . 1 1 104 104 HIS CA C 104 60.710 60.710 59.434 1.276 25476 1199 1 2 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.701 2.029 25476 1200 1 2 . 1 1 104 104 HIS H H 104 8.800 8.800 8.008 0.792 25476 1201 1 2 . 1 1 105 105 GLU N N 105 117.900 117.900 118.801 -0.901 25476 1202 1 2 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.506 -0.066 25476 1203 1 2 . 1 1 105 105 GLU C C 105 177.990 177.990 178.645 -0.655 25476 1204 1 2 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.150 0.460 25476 1205 1 2 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.583 -0.283 25476 1206 1 2 . 1 1 105 105 GLU H H 105 7.890 7.890 8.050 -0.160 25476 1207 1 2 . 1 1 106 106 LYS N N 106 117.260 117.260 118.934 -1.674 25476 1208 1 2 . 1 1 106 106 LYS HA H 106 3.970 3.970 3.986 -0.016 25476 1209 1 2 . 1 1 106 106 LYS C C 106 179.570 179.570 178.735 0.835 25476 1210 1 2 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.934 -0.224 25476 1211 1 2 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.124 0.656 25476 1212 1 2 . 1 1 106 106 LYS H H 106 6.870 6.870 7.430 -0.560 25476 1213 1 2 . 1 1 107 107 LEU N N 107 123.180 123.180 121.254 1.926 25476 1214 1 2 . 1 1 107 107 LEU HA H 107 3.450 3.450 4.020 -0.570 25476 1215 1 2 . 1 1 107 107 LEU C C 107 177.170 177.170 178.603 -1.433 25476 1216 1 2 . 1 1 107 107 LEU CA C 107 57.340 57.340 57.230 0.110 25476 1217 1 2 . 1 1 107 107 LEU CB C 107 41.240 41.240 41.090 0.150 25476 1218 1 2 . 1 1 107 107 LEU H H 107 8.020 8.020 7.719 0.301 25476 1219 1 2 . 1 1 108 108 ARG N N 108 120.070 120.070 119.782 0.288 25476 1220 1 2 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.770 -0.360 25476 1221 1 2 . 1 1 108 108 ARG C C 108 178.460 178.460 178.080 0.380 25476 1222 1 2 . 1 1 108 108 ARG CA C 108 59.640 59.640 60.386 -0.746 25476 1223 1 2 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.831 -0.622 25476 1224 1 2 . 1 1 108 108 ARG H H 108 8.680 8.680 7.624 1.056 25476 1225 1 2 . 1 1 109 109 ASP N N 109 119.480 119.480 119.540 -0.060 25476 1226 1 2 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.302 0.008 25476 1227 1 2 . 1 1 109 109 ASP C C 109 178.900 178.900 178.372 0.528 25476 1228 1 2 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.209 -0.069 25476 1229 1 2 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.510 -0.640 25476 1230 1 2 . 1 1 109 109 ASP H H 109 7.890 7.890 7.567 0.323 25476 1231 1 2 . 1 1 110 110 LEU N N 110 122.740 122.740 120.699 2.041 25476 1232 1 2 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.968 0.132 25476 1233 1 2 . 1 1 110 110 LEU C C 110 179.830 179.830 178.622 1.208 25476 1234 1 2 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.929 -0.249 25476 1235 1 2 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.861 -0.571 25476 1236 1 2 . 1 1 110 110 LEU H H 110 7.650 7.650 7.286 0.364 25476 1237 1 2 . 1 1 111 111 LEU N N 111 122.170 122.170 119.140 3.030 25476 1238 1 2 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.766 0.064 25476 1239 1 2 . 1 1 111 111 LEU C C 111 179.990 179.990 179.237 0.753 25476 1240 1 2 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.359 0.251 25476 1241 1 2 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.302 -1.922 25476 1242 1 2 . 1 1 111 111 LEU H H 111 8.320 8.320 7.608 0.712 25476 1243 1 2 . 1 1 112 112 ILE N N 112 122.490 122.490 119.203 3.287 25476 1244 1 2 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.598 0.372 25476 1245 1 2 . 1 1 112 112 ILE C C 112 180.930 180.930 178.374 2.556 25476 1246 1 2 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.370 -0.710 25476 1247 1 2 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.832 -0.512 25476 1248 1 2 . 1 1 112 112 ILE H H 112 8.790 8.790 8.340 0.450 25476 1249 1 2 . 1 1 113 113 SER N N 113 119.860 119.860 114.294 5.566 25476 1250 1 2 . 1 1 113 113 SER HA H 113 4.400 4.400 4.245 0.155 25476 1251 1 2 . 1 1 113 113 SER C C 113 174.520 174.520 175.763 -1.243 25476 1252 1 2 . 1 1 113 113 SER CA C 113 61.390 61.390 60.736 0.654 25476 1253 1 2 . 1 1 113 113 SER CB C 113 62.630 62.630 63.283 -0.653 25476 1254 1 2 . 1 1 113 113 SER H H 113 7.720 7.720 7.777 -0.057 25476 1255 1 2 . 1 1 114 114 MET N N 114 121.890 121.890 118.564 3.326 25476 1256 1 2 . 1 1 114 114 MET HA H 114 4.530 4.530 4.506 0.024 25476 1257 1 2 . 1 1 114 114 MET C C 114 173.850 173.850 175.446 -1.596 25476 1258 1 2 . 1 1 114 114 MET CA C 114 55.330 55.330 55.708 -0.378 25476 1259 1 2 . 1 1 114 114 MET CB C 114 34.040 34.040 33.644 0.397 25476 1260 1 2 . 1 1 114 114 MET H H 114 7.480 7.480 7.267 0.213 25476 1261 1 2 . 1 1 115 115 GLU N N 115 114.160 114.160 115.573 -1.413 25476 1262 1 2 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.979 -0.079 25476 1263 1 2 . 1 1 115 115 GLU C C 115 174.880 174.880 175.246 -0.366 25476 1264 1 2 . 1 1 115 115 GLU CA C 115 57.270 57.270 56.881 0.389 25476 1265 1 2 . 1 1 115 115 GLU CB C 115 26.510 26.510 26.844 -0.334 25476 1266 1 2 . 1 1 115 115 GLU H H 115 8.110 8.110 7.931 0.179 25476 1267 1 2 . 1 1 116 116 LEU N N 116 119.870 119.870 119.506 0.364 25476 1268 1 2 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.544 0.116 25476 1269 1 2 . 1 1 116 116 LEU C C 116 174.910 174.910 176.373 -1.463 25476 1270 1 2 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.300 -0.200 25476 1271 1 2 . 1 1 116 116 LEU CB C 116 45.570 45.570 43.517 2.053 25476 1272 1 2 . 1 1 116 116 LEU H H 116 7.970 7.970 7.964 0.006 25476 1273 1 2 . 1 1 117 117 ALA N N 117 123.730 123.730 127.860 -4.130 25476 1274 1 2 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.509 -0.059 25476 1275 1 2 . 1 1 117 117 ALA C C 117 174.870 174.870 175.333 -0.463 25476 1276 1 2 . 1 1 117 117 ALA CA C 117 50.870 50.870 51.779 -0.909 25476 1277 1 2 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.290 0.410 25476 1278 1 2 . 1 1 117 117 ALA H H 117 7.530 7.530 8.316 -0.786 25476 1279 1 2 . 1 1 118 118 LEU N N 118 121.610 121.610 122.716 -1.106 25476 1280 1 2 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.565 -0.085 25476 1281 1 2 . 1 1 118 118 LEU C C 118 175.560 175.560 176.442 -0.882 25476 1282 1 2 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.743 -0.903 25476 1283 1 2 . 1 1 118 118 LEU CB C 118 43.490 43.490 44.626 -1.136 25476 1284 1 2 . 1 1 118 118 LEU H H 118 8.250 8.250 8.528 -0.278 25476 1285 1 2 . 1 1 119 119 GLU N N 119 127.300 127.300 126.565 0.735 25476 1286 1 2 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.943 0.177 25476 1287 1 2 . 1 1 119 119 GLU C C 119 171.510 171.510 174.206 -2.696 25476 1288 1 2 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.876 -0.906 25476 1289 1 2 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.314 0.556 25476 1290 1 2 . 1 1 119 119 GLU H H 119 8.730 8.730 8.825 -0.095 25476 1291 1 2 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.476 0.094 25476 1292 1 2 . 1 1 120 120 PRO C C 120 176.420 176.420 176.518 -0.098 25476 1293 1 2 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.505 -0.745 25476 1294 1 2 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.380 0.010 25476 1295 1 2 . 1 1 121 121 SER N N 121 117.040 117.040 114.869 2.171 25476 1296 1 2 . 1 1 121 121 SER HA H 121 4.060 4.060 4.607 -0.547 25476 1297 1 2 . 1 1 121 121 SER C C 121 175.150 175.150 174.583 0.567 25476 1298 1 2 . 1 1 121 121 SER CA C 121 59.230 59.230 57.257 1.973 25476 1299 1 2 . 1 1 121 121 SER CB C 121 62.970 62.970 65.048 -2.078 25476 1300 1 2 . 1 1 121 121 SER H H 121 8.690 8.690 8.203 0.487 25476 1301 1 2 . 1 1 122 122 ASP N N 122 124.140 124.140 125.237 -1.097 25476 1302 1 2 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.430 -0.060 25476 1303 1 2 . 1 1 122 122 ASP C C 122 176.240 176.240 175.808 0.432 25476 1304 1 2 . 1 1 122 122 ASP CA C 122 57.100 57.100 55.975 1.125 25476 1305 1 2 . 1 1 122 122 ASP CB C 122 40.190 40.190 41.062 -0.872 25476 1306 1 2 . 1 1 122 122 ASP H H 122 8.830 8.830 9.006 -0.176 25476 1307 1 2 . 1 1 123 123 ASP N N 123 115.720 115.720 118.017 -2.297 25476 1308 1 2 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.625 -0.005 25476 1309 1 2 . 1 1 123 123 ASP C C 123 174.850 174.850 175.154 -0.304 25476 1310 1 2 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.627 -0.836 25476 1311 1 2 . 1 1 123 123 ASP CB C 123 40.270 40.270 39.823 0.447 25476 1312 1 2 . 1 1 123 123 ASP H H 123 8.210 8.210 8.251 -0.041 25476 1313 1 2 . 1 1 124 124 PHE N N 124 122.440 122.440 122.923 -0.483 25476 1314 1 2 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.486 0.544 25476 1315 1 2 . 1 1 124 124 PHE C C 124 174.040 174.040 174.250 -0.210 25476 1316 1 2 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.352 -1.312 25476 1317 1 2 . 1 1 124 124 PHE CB C 124 42.170 42.170 38.947 3.223 25476 1318 1 2 . 1 1 124 124 PHE H H 124 8.060 8.060 7.609 0.451 25476 1319 1 2 . 1 1 125 125 ASN N N 125 126.850 126.850 127.229 -0.379 25476 1320 1 2 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.684 0.057 25476 1321 1 2 . 1 1 125 125 ASN C C 125 175.070 175.070 173.228 1.842 25476 1322 1 2 . 1 1 125 125 ASN CA C 125 53.430 53.430 52.704 0.726 25476 1323 1 2 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.905 -0.175 25476 1324 1 2 . 1 1 125 125 ASN H H 125 7.700 7.700 8.428 -0.728 25476 1325 1 2 . 1 1 126 126 ASP N N 126 120.330 120.330 120.822 -0.492 25476 1326 1 2 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.475 -0.345 25476 1327 1 2 . 1 1 126 126 ASP C C 126 176.280 176.280 174.240 2.040 25476 1328 1 2 . 1 1 126 126 ASP CA C 126 56.030 56.030 53.817 2.213 25476 1329 1 2 . 1 1 126 126 ASP CB C 126 39.100 39.100 41.565 -2.465 25476 1330 1 2 . 1 1 126 126 ASP H H 126 7.300 7.300 8.000 -0.700 25476 1331 1 2 . 1 1 127 127 GLU N N 127 127.840 127.840 119.718 8.122 25476 1332 1 2 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.520 -0.160 25476 1333 1 2 . 1 1 127 127 GLU CA C 127 55.470 55.470 54.528 0.942 25476 1334 1 2 . 1 1 127 127 GLU H H 127 8.320 8.320 8.272 0.048 25476 1335 1 2 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.374 0.296 25476 1336 1 2 . 1 1 128 128 PRO C C 128 176.010 176.010 176.736 -0.726 25476 1337 1 2 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.595 1.035 25476 1338 1 2 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.459 -0.519 25476 1339 1 2 . 1 1 129 129 VAL N N 129 122.940 122.940 115.284 7.656 25476 1340 1 2 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.829 0.161 25476 1341 1 2 . 1 1 129 129 VAL C C 129 173.650 173.650 176.089 -2.439 25476 1342 1 2 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.225 -1.245 25476 1343 1 2 . 1 1 129 129 VAL CB C 129 32.130 32.130 31.775 0.355 25476 1344 1 2 . 1 1 129 129 VAL H H 129 7.990 7.990 7.797 0.193 25476 1345 1 2 . 1 1 130 130 LYS N N 130 124.620 124.620 123.541 1.079 25476 1346 1 2 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.348 0.162 25476 1347 1 2 . 1 1 130 130 LYS C C 130 174.900 174.900 175.991 -1.091 25476 1348 1 2 . 1 1 130 130 LYS CA C 130 53.150 53.150 55.866 -2.716 25476 1349 1 2 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.370 3.140 25476 1350 1 2 . 1 1 130 130 LYS H H 130 8.240 8.240 8.358 -0.118 25476 1351 1 2 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.199 -0.399 25476 1352 1 2 . 1 1 131 131 LEU C C 131 178.400 178.400 178.342 0.058 25476 1353 1 2 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.343 -0.293 25476 1354 1 2 . 1 1 131 131 LEU CB C 131 40.800 40.800 41.477 -0.678 25476 1355 1 2 . 1 1 132 132 SER N N 132 115.550 115.550 114.774 0.776 25476 1356 1 2 . 1 1 132 132 SER HA H 132 4.610 4.610 4.455 0.155 25476 1357 1 2 . 1 1 132 132 SER C C 132 172.970 172.970 174.491 -1.521 25476 1358 1 2 . 1 1 132 132 SER CA C 132 58.620 58.620 57.145 1.475 25476 1359 1 2 . 1 1 132 132 SER CB C 132 63.310 63.310 62.185 1.125 25476 1360 1 2 . 1 1 132 132 SER H H 132 9.070 9.070 7.956 1.114 25476 1361 1 3 . 1 1 2 2 THR N N 2 118.280 118.280 112.116 6.164 25476 1362 1 3 . 1 1 2 2 THR HA H 2 4.550 4.550 4.723 -0.173 25476 1363 1 3 . 1 1 2 2 THR C C 2 174.150 174.150 173.786 0.364 25476 1364 1 3 . 1 1 2 2 THR CA C 2 61.600 61.600 60.611 0.989 25476 1365 1 3 . 1 1 2 2 THR CB C 2 69.970 69.970 71.321 -1.351 25476 1366 1 3 . 1 1 2 2 THR H H 2 8.470 8.470 7.812 0.658 25476 1367 1 3 . 1 1 3 3 LEU N N 3 125.130 125.130 122.294 2.836 25476 1368 1 3 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.597 0.063 25476 1369 1 3 . 1 1 3 3 LEU C C 3 176.690 176.690 176.394 0.296 25476 1370 1 3 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.379 0.161 25476 1371 1 3 . 1 1 3 3 LEU CB C 3 40.050 40.050 41.579 -1.529 25476 1372 1 3 . 1 1 3 3 LEU H H 3 8.580 8.580 8.518 0.062 25476 1373 1 3 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.310 0.050 25476 1374 1 3 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.544 0.926 25476 1375 1 3 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.957 -0.067 25476 1376 1 3 . 1 1 5 5 SER HA H 5 4.580 4.580 4.321 0.259 25476 1377 1 3 . 1 1 5 5 SER C C 5 175.510 175.510 175.386 0.124 25476 1378 1 3 . 1 1 5 5 SER CA C 5 59.410 59.410 59.237 0.173 25476 1379 1 3 . 1 1 5 5 SER CB C 5 63.110 63.110 63.199 -0.089 25476 1380 1 3 . 1 1 6 6 GLY N N 6 112.010 112.010 108.947 3.063 25476 1381 1 3 . 1 1 6 6 GLY C C 6 173.300 173.300 174.073 -0.773 25476 1382 1 3 . 1 1 6 6 GLY CA C 6 44.530 44.530 45.120 -0.590 25476 1383 1 3 . 1 1 6 6 GLY H H 6 8.620 8.620 7.532 1.088 25476 1384 1 3 . 1 1 7 7 HIS N N 7 119.440 119.440 120.417 -0.977 25476 1385 1 3 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.971 -0.291 25476 1386 1 3 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.177 3.163 25476 1387 1 3 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.440 0.590 25476 1388 1 3 . 1 1 7 7 HIS H H 7 7.170 7.170 8.049 -0.879 25476 1389 1 3 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.543 0.247 25476 1390 1 3 . 1 1 8 8 PRO C C 8 178.140 178.140 176.749 1.391 25476 1391 1 3 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.257 -0.407 25476 1392 1 3 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.794 -0.814 25476 1393 1 3 . 1 1 9 9 LYS N N 9 127.570 127.570 125.940 1.630 25476 1394 1 3 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.177 -0.007 25476 1395 1 3 . 1 1 9 9 LYS C C 9 178.050 178.050 178.579 -0.529 25476 1396 1 3 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.381 0.449 25476 1397 1 3 . 1 1 9 9 LYS H H 9 9.000 9.000 8.217 0.783 25476 1398 1 3 . 1 1 10 10 SER N N 10 113.610 113.610 114.448 -0.838 25476 1399 1 3 . 1 1 10 10 SER HA H 10 4.120 4.120 4.144 -0.024 25476 1400 1 3 . 1 1 10 10 SER C C 10 176.750 176.750 176.407 0.343 25476 1401 1 3 . 1 1 10 10 SER CA C 10 61.050 61.050 63.017 -1.967 25476 1402 1 3 . 1 1 10 10 SER H H 10 9.170 9.170 8.478 0.692 25476 1403 1 3 . 1 1 11 11 ARG N N 11 122.220 122.220 121.285 0.935 25476 1404 1 3 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.077 0.073 25476 1405 1 3 . 1 1 11 11 ARG C C 11 177.890 177.890 178.360 -0.470 25476 1406 1 3 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.912 -0.632 25476 1407 1 3 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.849 0.161 25476 1408 1 3 . 1 1 11 11 ARG H H 11 7.100 7.100 8.228 -1.128 25476 1409 1 3 . 1 1 12 12 LEU N N 12 121.360 121.360 121.234 0.126 25476 1410 1 3 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.691 -0.121 25476 1411 1 3 . 1 1 12 12 LEU C C 12 177.890 177.890 178.360 -0.470 25476 1412 1 3 . 1 1 12 12 LEU CA C 12 56.000 56.000 58.024 -2.024 25476 1413 1 3 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.821 -2.381 25476 1414 1 3 . 1 1 12 12 LEU H H 12 7.220 7.220 7.607 -0.387 25476 1415 1 3 . 1 1 13 13 ILE N N 13 118.920 118.920 119.952 -1.032 25476 1416 1 3 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.793 -0.023 25476 1417 1 3 . 1 1 13 13 ILE C C 13 179.060 179.060 178.776 0.284 25476 1418 1 3 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.733 0.397 25476 1419 1 3 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.708 -0.278 25476 1420 1 3 . 1 1 13 13 ILE H H 13 8.590 8.590 8.790 -0.200 25476 1421 1 3 . 1 1 14 14 LYS N N 14 121.950 121.950 118.588 3.362 25476 1422 1 3 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.141 -0.011 25476 1423 1 3 . 1 1 14 14 LYS C C 14 179.810 179.810 178.789 1.021 25476 1424 1 3 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.636 1.424 25476 1425 1 3 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.071 0.010 25476 1426 1 3 . 1 1 14 14 LYS H H 14 7.730 7.730 8.026 -0.296 25476 1427 1 3 . 1 1 15 15 LYS N N 15 119.750 119.750 118.543 1.207 25476 1428 1 3 . 1 1 15 15 LYS HA H 15 4.120 4.120 4.027 0.093 25476 1429 1 3 . 1 1 15 15 LYS C C 15 179.700 179.700 179.409 0.291 25476 1430 1 3 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.029 -0.299 25476 1431 1 3 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.459 -0.509 25476 1432 1 3 . 1 1 15 15 LYS H H 15 7.800 7.800 7.307 0.493 25476 1433 1 3 . 1 1 16 16 PHE N N 16 117.660 117.660 118.711 -1.051 25476 1434 1 3 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.295 0.465 25476 1435 1 3 . 1 1 16 16 PHE C C 16 180.960 180.960 178.194 2.766 25476 1436 1 3 . 1 1 16 16 PHE CA C 16 56.640 56.640 59.947 -3.307 25476 1437 1 3 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.106 0.694 25476 1438 1 3 . 1 1 16 16 PHE H H 16 9.130 9.130 8.549 0.581 25476 1439 1 3 . 1 1 17 17 THR N N 17 120.130 120.130 115.752 4.378 25476 1440 1 3 . 1 1 17 17 THR HA H 17 4.370 4.370 4.061 0.309 25476 1441 1 3 . 1 1 17 17 THR C C 17 175.550 175.550 176.002 -0.452 25476 1442 1 3 . 1 1 17 17 THR CA C 17 66.840 66.840 65.679 1.161 25476 1443 1 3 . 1 1 17 17 THR CB C 17 68.920 68.920 68.522 0.398 25476 1444 1 3 . 1 1 17 17 THR H H 17 8.940 8.940 7.672 1.268 25476 1445 1 3 . 1 1 18 18 ALA N N 18 122.170 122.170 122.832 -0.662 25476 1446 1 3 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.224 0.156 25476 1447 1 3 . 1 1 18 18 ALA C C 18 178.110 178.110 177.744 0.366 25476 1448 1 3 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.255 0.135 25476 1449 1 3 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.667 -0.367 25476 1450 1 3 . 1 1 18 18 ALA H H 18 7.310 7.310 7.724 -0.414 25476 1451 1 3 . 1 1 19 19 LEU N N 19 116.080 116.080 116.760 -0.680 25476 1452 1 3 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.418 -0.048 25476 1453 1 3 . 1 1 19 19 LEU C C 19 176.620 176.620 176.136 0.484 25476 1454 1 3 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.024 2.606 25476 1455 1 3 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.118 0.302 25476 1456 1 3 . 1 1 19 19 LEU H H 19 7.580 7.580 7.627 -0.047 25476 1457 1 3 . 1 1 20 20 GLY N N 20 103.280 103.280 106.691 -3.411 25476 1458 1 3 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.918 -0.858 25476 1459 1 3 . 1 1 20 20 GLY H H 20 7.650 7.650 7.314 0.336 25476 1460 1 3 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.352 0.518 25476 1461 1 3 . 1 1 21 21 PRO C C 21 174.850 174.850 176.326 -1.476 25476 1462 1 3 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.370 0.770 25476 1463 1 3 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.347 -3.447 25476 1464 1 3 . 1 1 22 22 TYR N N 22 120.690 120.690 117.366 3.324 25476 1465 1 3 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.349 0.831 25476 1466 1 3 . 1 1 22 22 TYR C C 22 176.340 176.340 176.925 -0.585 25476 1467 1 3 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.592 -1.812 25476 1468 1 3 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.225 3.275 25476 1469 1 3 . 1 1 22 22 TYR H H 22 7.680 7.680 8.179 -0.499 25476 1470 1 3 . 1 1 23 23 ILE N N 23 119.130 119.130 123.341 -4.211 25476 1471 1 3 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.037 0.083 25476 1472 1 3 . 1 1 23 23 ILE C C 23 174.210 174.210 176.642 -2.432 25476 1473 1 3 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.088 0.742 25476 1474 1 3 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.374 0.126 25476 1475 1 3 . 1 1 23 23 ILE H H 23 8.860 8.860 8.680 0.180 25476 1476 1 3 . 1 1 24 24 ARG N N 24 126.540 126.540 127.134 -0.594 25476 1477 1 3 . 1 1 24 24 ARG C C 24 177.290 177.290 176.718 0.572 25476 1478 1 3 . 1 1 24 24 ARG CA C 24 52.090 52.090 56.322 -4.232 25476 1479 1 3 . 1 1 24 24 ARG H H 24 8.100 8.100 8.741 -0.641 25476 1480 1 3 . 1 1 25 25 GLU N N 25 126.990 126.990 123.166 3.824 25476 1481 1 3 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.065 0.035 25476 1482 1 3 . 1 1 25 25 GLU C C 25 176.780 176.780 176.743 0.037 25476 1483 1 3 . 1 1 25 25 GLU CA C 25 60.860 60.860 58.295 2.565 25476 1484 1 3 . 1 1 25 25 GLU CB C 25 29.650 29.650 29.998 -0.348 25476 1485 1 3 . 1 1 25 25 GLU H H 25 9.400 9.400 8.214 1.186 25476 1486 1 3 . 1 1 26 26 GLY N N 26 109.830 109.830 104.207 5.623 25476 1487 1 3 . 1 1 26 26 GLY C C 26 174.380 174.380 174.621 -0.241 25476 1488 1 3 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.762 0.758 25476 1489 1 3 . 1 1 26 26 GLY H H 26 8.070 8.070 7.868 0.202 25476 1490 1 3 . 1 1 27 27 GLN N N 27 117.670 117.670 122.033 -4.363 25476 1491 1 3 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.294 0.016 25476 1492 1 3 . 1 1 27 27 GLN C C 27 175.350 175.350 177.019 -1.669 25476 1493 1 3 . 1 1 27 27 GLN CA C 27 55.320 55.320 56.640 -1.320 25476 1494 1 3 . 1 1 27 27 GLN CB C 27 29.340 29.340 29.299 0.041 25476 1495 1 3 . 1 1 27 27 GLN H H 27 7.690 7.690 8.423 -0.733 25476 1496 1 3 . 1 1 28 28 CYS N N 28 119.770 119.770 120.123 -0.353 25476 1497 1 3 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.441 0.099 25476 1498 1 3 . 1 1 28 28 CYS C C 28 173.480 173.480 175.399 -1.919 25476 1499 1 3 . 1 1 28 28 CYS CA C 28 58.810 58.810 58.419 0.391 25476 1500 1 3 . 1 1 28 28 CYS CB C 28 27.070 27.070 28.899 -1.829 25476 1501 1 3 . 1 1 28 28 CYS H H 28 7.510 7.510 8.078 -0.568 25476 1502 1 3 . 1 1 29 29 GLU N N 29 124.370 124.370 123.404 0.966 25476 1503 1 3 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.294 0.246 25476 1504 1 3 . 1 1 29 29 GLU C C 29 174.810 174.810 174.997 -0.187 25476 1505 1 3 . 1 1 29 29 GLU CA C 29 55.560 55.560 56.374 -0.814 25476 1506 1 3 . 1 1 29 29 GLU CB C 29 30.030 30.030 29.175 0.855 25476 1507 1 3 . 1 1 29 29 GLU H H 29 7.840 7.840 8.462 -0.622 25476 1508 1 3 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.717 -0.137 25476 1509 1 3 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.650 0.800 25476 1510 1 3 . 1 1 31 31 ASN CB C 31 39.200 39.200 38.191 1.009 25476 1511 1 3 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.478 1.032 25476 1512 1 3 . 1 1 32 32 ARG CA C 32 55.050 55.050 53.326 1.724 25476 1513 1 3 . 1 1 32 32 ARG CB C 32 33.480 33.480 33.228 0.251 25476 1514 1 3 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.621 0.619 25476 1515 1 3 . 1 1 34 34 PHE C C 34 172.210 172.210 174.377 -2.167 25476 1516 1 3 . 1 1 34 34 PHE CA C 34 57.690 57.690 57.362 0.328 25476 1517 1 3 . 1 1 34 34 PHE CB C 34 44.100 44.100 40.855 3.245 25476 1518 1 3 . 1 1 35 35 PHE N N 35 125.800 125.800 119.837 5.963 25476 1519 1 3 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.719 0.451 25476 1520 1 3 . 1 1 35 35 PHE C C 35 173.110 173.110 173.820 -0.710 25476 1521 1 3 . 1 1 35 35 PHE CA C 35 54.860 54.860 57.318 -2.458 25476 1522 1 3 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.442 0.808 25476 1523 1 3 . 1 1 35 35 PHE H H 35 8.660 8.660 8.583 0.077 25476 1524 1 3 . 1 1 36 36 ASP N N 36 120.960 120.960 125.358 -4.398 25476 1525 1 3 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.799 -0.219 25476 1526 1 3 . 1 1 36 36 ASP CA C 36 54.160 54.160 53.041 1.119 25476 1527 1 3 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.135 -0.105 25476 1528 1 3 . 1 1 36 36 ASP H H 36 9.370 9.370 8.481 0.889 25476 1529 1 3 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.786 -0.796 25476 1530 1 3 . 1 1 37 37 CYS C C 37 173.460 173.460 174.118 -0.658 25476 1531 1 3 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.240 0.370 25476 1532 1 3 . 1 1 37 37 CYS CB C 37 27.170 27.170 30.002 -2.832 25476 1533 1 3 . 1 1 38 38 LEU N N 38 131.890 131.890 126.569 5.321 25476 1534 1 3 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.834 -0.624 25476 1535 1 3 . 1 1 38 38 LEU C C 38 175.570 175.570 177.005 -1.435 25476 1536 1 3 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.054 -0.524 25476 1537 1 3 . 1 1 38 38 LEU CB C 38 37.270 37.270 40.920 -3.650 25476 1538 1 3 . 1 1 38 38 LEU H H 38 8.430 8.430 8.818 -0.388 25476 1539 1 3 . 1 1 39 39 ALA N N 39 127.100 127.100 130.574 -3.474 25476 1540 1 3 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.399 -0.059 25476 1541 1 3 . 1 1 39 39 ALA C C 39 178.500 178.500 177.092 1.408 25476 1542 1 3 . 1 1 39 39 ALA CA C 39 55.380 55.380 53.987 1.393 25476 1543 1 3 . 1 1 39 39 ALA CB C 39 21.110 21.110 19.732 1.378 25476 1544 1 3 . 1 1 39 39 ALA H H 39 7.960 7.960 8.559 -0.599 25476 1545 1 3 . 1 1 40 40 VAL N N 40 116.260 116.260 112.814 3.446 25476 1546 1 3 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.707 -0.087 25476 1547 1 3 . 1 1 40 40 VAL C C 40 173.990 173.990 174.258 -0.268 25476 1548 1 3 . 1 1 40 40 VAL CA C 40 60.940 60.940 59.525 1.415 25476 1549 1 3 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.011 1.469 25476 1550 1 3 . 1 1 40 40 VAL H H 40 8.590 8.590 7.944 0.646 25476 1551 1 3 . 1 1 41 41 CYS HA H 41 3.880 3.880 5.189 -1.309 25476 1552 1 3 . 1 1 41 41 CYS C C 41 174.640 174.640 176.695 -2.055 25476 1553 1 3 . 1 1 41 41 CYS CA C 41 59.280 59.280 57.686 1.594 25476 1554 1 3 . 1 1 41 41 CYS CB C 41 26.700 26.700 29.441 -2.741 25476 1555 1 3 . 1 1 42 42 VAL N N 42 131.320 131.320 125.371 5.949 25476 1556 1 3 . 1 1 42 42 VAL HA H 42 3.480 3.480 4.102 -0.622 25476 1557 1 3 . 1 1 42 42 VAL C C 42 176.270 176.270 175.889 0.381 25476 1558 1 3 . 1 1 42 42 VAL CA C 42 65.390 65.390 64.426 0.964 25476 1559 1 3 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.858 -0.018 25476 1560 1 3 . 1 1 42 42 VAL H H 42 8.610 8.610 8.134 0.476 25476 1561 1 3 . 1 1 43 43 ASN N N 43 116.070 116.070 114.212 1.858 25476 1562 1 3 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.840 -0.050 25476 1563 1 3 . 1 1 43 43 ASN C C 43 175.160 175.160 173.479 1.681 25476 1564 1 3 . 1 1 43 43 ASN CA C 43 52.690 52.690 53.137 -0.447 25476 1565 1 3 . 1 1 43 43 ASN CB C 43 39.940 39.940 40.414 -0.474 25476 1566 1 3 . 1 1 43 43 ASN H H 43 7.280 7.280 7.488 -0.208 25476 1567 1 3 . 1 1 44 44 VAL N N 44 121.350 121.350 116.040 5.310 25476 1568 1 3 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.481 -0.361 25476 1569 1 3 . 1 1 44 44 VAL C C 44 175.460 175.460 175.492 -0.032 25476 1570 1 3 . 1 1 44 44 VAL CA C 44 61.930 61.930 62.166 -0.236 25476 1571 1 3 . 1 1 44 44 VAL CB C 44 31.630 31.630 33.189 -1.559 25476 1572 1 3 . 1 1 44 44 VAL H H 44 8.520 8.520 8.360 0.160 25476 1573 1 3 . 1 1 45 45 LYS N N 45 123.190 123.190 120.516 2.674 25476 1574 1 3 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.295 -0.085 25476 1575 1 3 . 1 1 45 45 LYS CA C 45 59.080 59.080 57.790 1.290 25476 1576 1 3 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.726 -0.226 25476 1577 1 3 . 1 1 45 45 LYS H H 45 8.100 8.100 8.193 -0.093 25476 1578 1 3 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.423 -0.053 25476 1579 1 3 . 1 1 46 46 PRO C C 46 174.380 174.380 175.793 -1.413 25476 1580 1 3 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.537 0.523 25476 1581 1 3 . 1 1 46 46 PRO CB C 46 31.660 31.660 31.900 -0.240 25476 1582 1 3 . 1 1 47 47 ALA N N 47 124.500 124.500 121.128 3.372 25476 1583 1 3 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.375 0.095 25476 1584 1 3 . 1 1 47 47 ALA C C 47 176.130 176.130 177.892 -1.762 25476 1585 1 3 . 1 1 47 47 ALA CA C 47 50.740 50.740 50.839 -0.099 25476 1586 1 3 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.492 -1.192 25476 1587 1 3 . 1 1 47 47 ALA H H 47 8.300 8.300 8.280 0.020 25476 1588 1 3 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.240 -0.430 25476 1589 1 3 . 1 1 48 48 PRO C C 48 178.270 178.270 178.131 0.139 25476 1590 1 3 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.686 1.464 25476 1591 1 3 . 1 1 48 48 PRO CB C 48 31.990 31.990 31.859 0.131 25476 1592 1 3 . 1 1 49 49 GLU N N 49 116.300 116.300 118.661 -2.361 25476 1593 1 3 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.084 0.206 25476 1594 1 3 . 1 1 49 49 GLU C C 49 176.550 176.550 177.550 -1.000 25476 1595 1 3 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.949 -0.829 25476 1596 1 3 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.454 -0.164 25476 1597 1 3 . 1 1 49 49 GLU H H 49 9.390 9.390 9.071 0.319 25476 1598 1 3 . 1 1 50 50 LYS N N 50 120.030 120.030 117.466 2.564 25476 1599 1 3 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.413 0.047 25476 1600 1 3 . 1 1 50 50 LYS C C 50 175.070 175.070 175.863 -0.793 25476 1601 1 3 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.078 -0.408 25476 1602 1 3 . 1 1 50 50 LYS CB C 50 33.170 33.170 33.054 0.115 25476 1603 1 3 . 1 1 50 50 LYS H H 50 8.350 8.350 7.243 1.107 25476 1604 1 3 . 1 1 51 51 ARG N N 51 119.720 119.720 121.955 -2.235 25476 1605 1 3 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.034 0.266 25476 1606 1 3 . 1 1 51 51 ARG C C 51 174.530 174.530 174.522 0.008 25476 1607 1 3 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.681 0.009 25476 1608 1 3 . 1 1 51 51 ARG CB C 51 32.000 32.000 30.768 1.232 25476 1609 1 3 . 1 1 51 51 ARG H H 51 7.220 7.220 7.450 -0.230 25476 1610 1 3 . 1 1 52 52 GLU N N 52 119.700 119.700 119.581 0.119 25476 1611 1 3 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.018 0.672 25476 1612 1 3 . 1 1 52 52 GLU C C 52 175.260 175.260 174.701 0.559 25476 1613 1 3 . 1 1 52 52 GLU CA C 52 54.730 54.730 53.908 0.822 25476 1614 1 3 . 1 1 52 52 GLU H H 52 8.690 8.690 7.849 0.841 25476 1615 1 3 . 1 1 53 53 PHE N N 53 116.950 116.950 117.708 -0.758 25476 1616 1 3 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.999 0.161 25476 1617 1 3 . 1 1 53 53 PHE C C 53 174.970 174.970 174.562 0.408 25476 1618 1 3 . 1 1 53 53 PHE CA C 53 56.960 56.960 56.337 0.623 25476 1619 1 3 . 1 1 53 53 PHE CB C 53 44.210 44.210 42.289 1.921 25476 1620 1 3 . 1 1 53 53 PHE H H 53 8.590 8.590 7.856 0.734 25476 1621 1 3 . 1 1 54 54 TRP N N 54 123.100 123.100 120.715 2.385 25476 1622 1 3 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.818 1.082 25476 1623 1 3 . 1 1 54 54 TRP C C 54 177.820 177.820 176.204 1.616 25476 1624 1 3 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.502 -1.262 25476 1625 1 3 . 1 1 54 54 TRP CB C 54 31.870 31.870 31.071 0.799 25476 1626 1 3 . 1 1 54 54 TRP H H 54 9.520 9.520 9.222 0.298 25476 1627 1 3 . 1 1 55 55 GLY N N 55 110.840 110.840 107.899 2.941 25476 1628 1 3 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.335 1.905 25476 1629 1 3 . 1 1 55 55 GLY H H 55 9.550 9.550 8.401 1.149 25476 1630 1 3 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.894 0.316 25476 1631 1 3 . 1 1 57 57 TRP CA C 57 57.700 57.700 55.845 1.855 25476 1632 1 3 . 1 1 58 58 MET N N 58 122.630 122.630 118.100 4.530 25476 1633 1 3 . 1 1 58 58 MET HA H 58 4.370 4.370 4.949 -0.579 25476 1634 1 3 . 1 1 58 58 MET CA C 58 55.230 55.230 54.581 0.649 25476 1635 1 3 . 1 1 58 58 MET CB C 58 35.910 35.910 35.121 0.789 25476 1636 1 3 . 1 1 58 58 MET H H 58 9.680 9.680 8.381 1.299 25476 1637 1 3 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.642 0.788 25476 1638 1 3 . 1 1 59 59 GLU C C 59 175.570 175.570 174.871 0.699 25476 1639 1 3 . 1 1 59 59 GLU CA C 59 54.260 54.260 55.631 -1.371 25476 1640 1 3 . 1 1 60 60 LEU N N 60 126.920 126.920 119.012 7.908 25476 1641 1 3 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.910 1.150 25476 1642 1 3 . 1 1 60 60 LEU C C 60 176.470 176.470 175.228 1.242 25476 1643 1 3 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.360 -0.750 25476 1644 1 3 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.312 2.168 25476 1645 1 3 . 1 1 60 60 LEU H H 60 9.610 9.610 8.227 1.383 25476 1646 1 3 . 1 1 61 61 GLU N N 61 123.560 123.560 120.506 3.054 25476 1647 1 3 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.555 0.625 25476 1648 1 3 . 1 1 61 61 GLU C C 61 174.930 174.930 175.137 -0.207 25476 1649 1 3 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.918 0.132 25476 1650 1 3 . 1 1 61 61 GLU CB C 61 32.200 32.200 32.819 -0.619 25476 1651 1 3 . 1 1 61 61 GLU H H 61 9.070 9.070 8.655 0.415 25476 1652 1 3 . 1 1 62 62 ALA N N 62 129.830 129.830 128.509 1.321 25476 1653 1 3 . 1 1 62 62 ALA HA H 62 3.120 3.120 2.409 0.711 25476 1654 1 3 . 1 1 62 62 ALA C C 62 175.760 175.760 176.897 -1.137 25476 1655 1 3 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.375 0.305 25476 1656 1 3 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.703 2.627 25476 1657 1 3 . 1 1 62 62 ALA H H 62 9.030 9.030 8.444 0.586 25476 1658 1 3 . 1 1 63 63 GLN N N 63 122.550 122.550 123.757 -1.207 25476 1659 1 3 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.171 0.579 25476 1660 1 3 . 1 1 63 63 GLN C C 63 175.470 175.470 177.692 -2.222 25476 1661 1 3 . 1 1 63 63 GLN CA C 63 53.940 53.940 55.126 -1.186 25476 1662 1 3 . 1 1 63 63 GLN CB C 63 29.650 29.650 29.586 0.064 25476 1663 1 3 . 1 1 63 63 GLN H H 63 8.170 8.170 7.660 0.510 25476 1664 1 3 . 1 1 64 64 GLU N N 64 120.760 120.760 120.322 0.438 25476 1665 1 3 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.007 -0.457 25476 1666 1 3 . 1 1 64 64 GLU C C 64 176.740 176.740 176.400 0.340 25476 1667 1 3 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.635 1.705 25476 1668 1 3 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.812 -0.192 25476 1669 1 3 . 1 1 64 64 GLU H H 64 8.730 8.730 8.583 0.147 25476 1670 1 3 . 1 1 65 65 LYS N N 65 112.820 112.820 114.129 -1.309 25476 1671 1 3 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.428 0.202 25476 1672 1 3 . 1 1 65 65 LYS C C 65 175.960 175.960 174.987 0.973 25476 1673 1 3 . 1 1 65 65 LYS CA C 65 54.790 54.790 56.001 -1.211 25476 1674 1 3 . 1 1 65 65 LYS CB C 65 33.300 33.300 31.985 1.315 25476 1675 1 3 . 1 1 65 65 LYS H H 65 8.750 8.750 7.932 0.818 25476 1676 1 3 . 1 1 66 66 ARG N N 66 115.100 115.100 116.385 -1.285 25476 1677 1 3 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.605 0.695 25476 1678 1 3 . 1 1 66 66 ARG C C 66 172.980 172.980 173.021 -0.041 25476 1679 1 3 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.519 -1.989 25476 1680 1 3 . 1 1 66 66 ARG CB C 66 33.000 33.000 31.487 1.513 25476 1681 1 3 . 1 1 66 66 ARG H H 66 7.520 7.520 7.115 0.405 25476 1682 1 3 . 1 1 67 67 PHE N N 67 119.960 119.960 117.783 2.177 25476 1683 1 3 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.964 0.776 25476 1684 1 3 . 1 1 67 67 PHE C C 67 176.040 176.040 174.539 1.501 25476 1685 1 3 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.665 -1.545 25476 1686 1 3 . 1 1 67 67 PHE CB C 67 41.950 41.950 43.682 -1.732 25476 1687 1 3 . 1 1 67 67 PHE H H 67 9.220 9.220 8.147 1.073 25476 1688 1 3 . 1 1 68 68 THR N N 68 111.030 111.030 116.762 -5.732 25476 1689 1 3 . 1 1 68 68 THR HA H 68 6.310 6.310 4.748 1.562 25476 1690 1 3 . 1 1 68 68 THR C C 68 175.340 175.340 172.770 2.570 25476 1691 1 3 . 1 1 68 68 THR CA C 68 57.990 57.990 59.562 -1.572 25476 1692 1 3 . 1 1 68 68 THR CB C 68 70.260 70.260 70.677 -0.417 25476 1693 1 3 . 1 1 68 68 THR H H 68 9.200 9.200 8.382 0.818 25476 1694 1 3 . 1 1 69 69 TYR N N 69 115.700 115.700 121.713 -6.013 25476 1695 1 3 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.887 1.203 25476 1696 1 3 . 1 1 69 69 TYR C C 69 173.310 173.310 173.048 0.262 25476 1697 1 3 . 1 1 69 69 TYR CA C 69 55.500 55.500 56.423 -0.923 25476 1698 1 3 . 1 1 69 69 TYR CB C 69 44.600 44.600 40.646 3.954 25476 1699 1 3 . 1 1 69 69 TYR H H 69 8.190 8.190 9.102 -0.912 25476 1700 1 3 . 1 1 70 70 ARG N N 70 115.070 115.070 121.106 -6.036 25476 1701 1 3 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.507 1.003 25476 1702 1 3 . 1 1 70 70 ARG C C 70 175.220 175.220 175.088 0.132 25476 1703 1 3 . 1 1 70 70 ARG CA C 70 55.150 55.150 53.841 1.309 25476 1704 1 3 . 1 1 70 70 ARG CB C 70 32.780 32.780 34.041 -1.262 25476 1705 1 3 . 1 1 70 70 ARG H H 70 8.160 8.160 8.199 -0.039 25476 1706 1 3 . 1 1 71 71 TYR N N 71 118.750 118.750 118.672 0.078 25476 1707 1 3 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.714 -0.594 25476 1708 1 3 . 1 1 71 71 TYR H H 71 9.220 9.220 7.831 1.389 25476 1709 1 3 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.674 -0.254 25476 1710 1 3 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.319 0.531 25476 1711 1 3 . 1 1 72 72 GLN CB C 72 30.990 30.990 31.596 -0.606 25476 1712 1 3 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.429 1.401 25476 1713 1 3 . 1 1 73 73 PHE C C 73 177.280 177.280 175.794 1.486 25476 1714 1 3 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.850 -4.170 25476 1715 1 3 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.963 -1.163 25476 1716 1 3 . 1 1 74 74 GLY N N 74 108.520 108.520 108.110 0.410 25476 1717 1 3 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.301 2.179 25476 1718 1 3 . 1 1 74 74 GLY H H 74 9.350 9.350 7.940 1.410 25476 1719 1 3 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.180 0.190 25476 1720 1 3 . 1 1 75 75 LEU C C 75 174.270 174.270 175.336 -1.066 25476 1721 1 3 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.029 -0.239 25476 1722 1 3 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.016 0.844 25476 1723 1 3 . 1 1 76 76 PHE N N 76 135.230 135.230 127.514 7.716 25476 1724 1 3 . 1 1 76 76 PHE HA H 76 4.340 4.340 4.926 -0.586 25476 1725 1 3 . 1 1 76 76 PHE C C 76 174.690 174.690 173.876 0.814 25476 1726 1 3 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.293 0.607 25476 1727 1 3 . 1 1 76 76 PHE H H 76 9.840 9.840 8.385 1.455 25476 1728 1 3 . 1 1 77 77 ASP N N 77 125.580 125.580 127.281 -1.701 25476 1729 1 3 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.421 -0.091 25476 1730 1 3 . 1 1 77 77 ASP C C 77 178.310 178.310 177.116 1.194 25476 1731 1 3 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.619 0.131 25476 1732 1 3 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.519 -1.058 25476 1733 1 3 . 1 1 77 77 ASP H H 77 7.940 7.940 8.186 -0.246 25476 1734 1 3 . 1 1 78 78 LYS N N 78 116.610 116.610 121.162 -4.552 25476 1735 1 3 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.812 0.278 25476 1736 1 3 . 1 1 78 78 LYS C C 78 176.910 176.910 176.911 -0.001 25476 1737 1 3 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.573 -0.993 25476 1738 1 3 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.012 -0.982 25476 1739 1 3 . 1 1 78 78 LYS H H 78 9.030 9.030 8.475 0.555 25476 1740 1 3 . 1 1 79 79 GLU N N 79 120.510 120.510 116.270 4.240 25476 1741 1 3 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.219 0.041 25476 1742 1 3 . 1 1 79 79 GLU C C 79 176.160 176.160 176.629 -0.469 25476 1743 1 3 . 1 1 79 79 GLU CA C 79 55.330 55.330 55.562 -0.232 25476 1744 1 3 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.189 0.231 25476 1745 1 3 . 1 1 79 79 GLU H H 79 7.850 7.850 7.791 0.059 25476 1746 1 3 . 1 1 80 80 GLY N N 80 109.610 109.610 108.721 0.889 25476 1747 1 3 . 1 1 80 80 GLY C C 80 172.820 172.820 173.450 -0.630 25476 1748 1 3 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.539 -0.159 25476 1749 1 3 . 1 1 80 80 GLY H H 80 7.800 7.800 7.454 0.346 25476 1750 1 3 . 1 1 81 81 ASN N N 81 117.680 117.680 119.175 -1.495 25476 1751 1 3 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.541 0.169 25476 1752 1 3 . 1 1 81 81 ASN C C 81 174.110 174.110 174.989 -0.879 25476 1753 1 3 . 1 1 81 81 ASN CA C 81 51.160 51.160 52.882 -1.722 25476 1754 1 3 . 1 1 81 81 ASN CB C 81 40.160 40.160 38.572 1.588 25476 1755 1 3 . 1 1 81 81 ASN H H 81 7.560 7.560 7.854 -0.294 25476 1756 1 3 . 1 1 82 82 TRP N N 82 122.870 122.870 124.809 -1.939 25476 1757 1 3 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.524 0.626 25476 1758 1 3 . 1 1 82 82 TRP C C 82 177.480 177.480 175.595 1.885 25476 1759 1 3 . 1 1 82 82 TRP CA C 82 57.260 57.260 56.965 0.295 25476 1760 1 3 . 1 1 82 82 TRP H H 82 8.480 8.480 8.306 0.174 25476 1761 1 3 . 1 1 83 83 THR N N 83 118.050 118.050 121.055 -3.005 25476 1762 1 3 . 1 1 83 83 THR HA H 83 4.820 4.820 4.524 0.296 25476 1763 1 3 . 1 1 83 83 THR C C 83 173.630 173.630 173.865 -0.235 25476 1764 1 3 . 1 1 83 83 THR CA C 83 60.470 60.470 61.940 -1.470 25476 1765 1 3 . 1 1 83 83 THR CB C 83 72.050 72.050 71.802 0.248 25476 1766 1 3 . 1 1 83 83 THR H H 83 9.280 9.280 8.358 0.922 25476 1767 1 3 . 1 1 84 84 VAL N N 84 125.990 125.990 123.018 2.972 25476 1768 1 3 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.383 0.147 25476 1769 1 3 . 1 1 84 84 VAL C C 84 175.440 175.440 174.951 0.489 25476 1770 1 3 . 1 1 84 84 VAL CA C 84 64.280 64.280 62.937 1.343 25476 1771 1 3 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.523 0.106 25476 1772 1 3 . 1 1 84 84 VAL H H 84 9.100 9.100 8.618 0.482 25476 1773 1 3 . 1 1 85 85 VAL N N 85 124.640 124.640 123.682 0.958 25476 1774 1 3 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.807 0.163 25476 1775 1 3 . 1 1 85 85 VAL CA C 85 58.050 58.050 59.072 -1.022 25476 1776 1 3 . 1 1 85 85 VAL CB C 85 35.190 35.190 32.520 2.670 25476 1777 1 3 . 1 1 85 85 VAL H H 85 7.430 7.430 8.395 -0.965 25476 1778 1 3 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.598 -0.118 25476 1779 1 3 . 1 1 86 86 PRO C C 86 175.970 175.970 175.861 0.109 25476 1780 1 3 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.792 0.128 25476 1781 1 3 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.173 -0.243 25476 1782 1 3 . 1 1 87 87 ILE N N 87 123.980 123.980 121.516 2.464 25476 1783 1 3 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.483 0.437 25476 1784 1 3 . 1 1 87 87 ILE C C 87 175.510 175.510 176.146 -0.636 25476 1785 1 3 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.847 0.273 25476 1786 1 3 . 1 1 87 87 ILE CB C 87 37.550 37.550 38.381 -0.831 25476 1787 1 3 . 1 1 87 87 ILE H H 87 8.500 8.500 8.043 0.457 25476 1788 1 3 . 1 1 88 88 ASN N N 88 119.050 119.050 122.126 -3.076 25476 1789 1 3 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.536 -0.176 25476 1790 1 3 . 1 1 88 88 ASN CA C 88 52.210 52.210 53.697 -1.486 25476 1791 1 3 . 1 1 88 88 ASN CB C 88 37.740 37.740 38.962 -1.222 25476 1792 1 3 . 1 1 88 88 ASN H H 88 8.390 8.390 8.045 0.345 25476 1793 1 3 . 1 1 90 90 THR HA H 90 3.800 3.800 3.922 -0.122 25476 1794 1 3 . 1 1 90 90 THR C C 90 175.860 175.860 175.950 -0.090 25476 1795 1 3 . 1 1 90 90 THR CA C 90 66.300 66.300 66.735 -0.435 25476 1796 1 3 . 1 1 90 90 THR CB C 90 68.380 68.380 68.595 -0.215 25476 1797 1 3 . 1 1 91 91 GLU N N 91 120.430 120.430 119.385 1.045 25476 1798 1 3 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.063 0.047 25476 1799 1 3 . 1 1 91 91 GLU C C 91 179.320 179.320 178.987 0.333 25476 1800 1 3 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.100 0.360 25476 1801 1 3 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.968 0.072 25476 1802 1 3 . 1 1 91 91 GLU H H 91 9.440 9.440 8.695 0.745 25476 1803 1 3 . 1 1 92 92 VAL N N 92 119.810 119.810 120.488 -0.678 25476 1804 1 3 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.809 -0.189 25476 1805 1 3 . 1 1 92 92 VAL C C 92 177.270 177.270 177.770 -0.500 25476 1806 1 3 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.844 0.106 25476 1807 1 3 . 1 1 92 92 VAL CB C 92 31.480 31.480 32.017 -0.536 25476 1808 1 3 . 1 1 92 92 VAL H H 92 7.010 7.010 7.615 -0.605 25476 1809 1 3 . 1 1 93 93 VAL N N 93 120.570 120.570 120.469 0.101 25476 1810 1 3 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.497 -0.207 25476 1811 1 3 . 1 1 93 93 VAL C C 93 177.970 177.970 177.574 0.396 25476 1812 1 3 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.544 0.806 25476 1813 1 3 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.600 -0.140 25476 1814 1 3 . 1 1 93 93 VAL H H 93 7.720 7.720 7.419 0.301 25476 1815 1 3 . 1 1 94 94 GLU N N 94 118.100 118.100 118.627 -0.527 25476 1816 1 3 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.041 0.069 25476 1817 1 3 . 1 1 94 94 GLU C C 94 179.420 179.420 178.887 0.533 25476 1818 1 3 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.681 -0.031 25476 1819 1 3 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.287 0.103 25476 1820 1 3 . 1 1 94 94 GLU H H 94 8.320 8.320 8.373 -0.053 25476 1821 1 3 . 1 1 95 95 ARG N N 95 120.330 120.330 120.704 -0.374 25476 1822 1 3 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.186 0.184 25476 1823 1 3 . 1 1 95 95 ARG C C 95 179.510 179.510 178.892 0.618 25476 1824 1 3 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.674 -1.134 25476 1825 1 3 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.571 0.049 25476 1826 1 3 . 1 1 95 95 ARG H H 95 7.350 7.350 7.883 -0.533 25476 1827 1 3 . 1 1 96 96 LEU N N 96 124.600 124.600 119.847 4.753 25476 1828 1 3 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.408 -0.578 25476 1829 1 3 . 1 1 96 96 LEU C C 96 177.600 177.600 179.522 -1.922 25476 1830 1 3 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.659 1.631 25476 1831 1 3 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.221 -1.621 25476 1832 1 3 . 1 1 96 96 LEU H H 96 8.600 8.600 7.755 0.845 25476 1833 1 3 . 1 1 97 97 GLU N N 97 118.190 118.190 119.562 -1.372 25476 1834 1 3 . 1 1 97 97 GLU HA H 97 3.740 3.740 3.945 -0.205 25476 1835 1 3 . 1 1 97 97 GLU C C 97 177.630 177.630 179.005 -1.375 25476 1836 1 3 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.868 0.572 25476 1837 1 3 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.783 -1.563 25476 1838 1 3 . 1 1 97 97 GLU H H 97 8.540 8.540 8.554 -0.014 25476 1839 1 3 . 1 1 98 98 TYR N N 98 119.160 119.160 119.594 -0.434 25476 1840 1 3 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.235 -0.165 25476 1841 1 3 . 1 1 98 98 TYR C C 98 179.010 179.010 177.521 1.489 25476 1842 1 3 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.583 0.537 25476 1843 1 3 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.810 -0.020 25476 1844 1 3 . 1 1 98 98 TYR H H 98 8.380 8.380 8.164 0.216 25476 1845 1 3 . 1 1 99 99 THR N N 99 109.220 109.220 114.580 -5.360 25476 1846 1 3 . 1 1 99 99 THR HA H 99 4.310 4.310 4.101 0.209 25476 1847 1 3 . 1 1 99 99 THR C C 99 178.320 178.320 176.687 1.633 25476 1848 1 3 . 1 1 99 99 THR CA C 99 64.890 64.890 65.100 -0.210 25476 1849 1 3 . 1 1 99 99 THR CB C 99 69.810 69.810 68.548 1.262 25476 1850 1 3 . 1 1 99 99 THR H H 99 8.480 8.480 7.839 0.641 25476 1851 1 3 . 1 1 100 100 LEU N N 100 128.250 128.250 123.734 4.516 25476 1852 1 3 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.345 -0.805 25476 1853 1 3 . 1 1 100 100 LEU C C 100 177.870 177.870 178.494 -0.624 25476 1854 1 3 . 1 1 100 100 LEU CA C 100 58.200 58.200 58.901 -0.701 25476 1855 1 3 . 1 1 100 100 LEU CB C 100 41.460 41.460 41.579 -0.119 25476 1856 1 3 . 1 1 100 100 LEU H H 100 8.200 8.200 8.153 0.047 25476 1857 1 3 . 1 1 101 101 ARG N N 101 118.550 118.550 118.078 0.472 25476 1858 1 3 . 1 1 101 101 ARG HA H 101 3.610 3.610 4.055 -0.445 25476 1859 1 3 . 1 1 101 101 ARG C C 101 178.930 178.930 178.846 0.084 25476 1860 1 3 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.020 1.440 25476 1861 1 3 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.817 -0.527 25476 1862 1 3 . 1 1 101 101 ARG H H 101 8.440 8.440 7.604 0.836 25476 1863 1 3 . 1 1 102 102 GLU N N 102 119.760 119.760 119.989 -0.229 25476 1864 1 3 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.062 -0.142 25476 1865 1 3 . 1 1 102 102 GLU C C 102 178.360 178.360 179.014 -0.654 25476 1866 1 3 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.763 0.187 25476 1867 1 3 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.118 0.902 25476 1868 1 3 . 1 1 102 102 GLU H H 102 7.970 7.970 7.545 0.425 25476 1869 1 3 . 1 1 103 103 PHE N N 103 119.570 119.570 121.759 -2.189 25476 1870 1 3 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.144 -0.224 25476 1871 1 3 . 1 1 103 103 PHE C C 103 175.350 175.350 177.324 -1.974 25476 1872 1 3 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.428 -0.628 25476 1873 1 3 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.230 0.310 25476 1874 1 3 . 1 1 103 103 PHE H H 103 7.630 7.630 8.713 -1.083 25476 1875 1 3 . 1 1 104 104 HIS N N 104 119.160 119.160 118.942 0.218 25476 1876 1 3 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.223 -1.193 25476 1877 1 3 . 1 1 104 104 HIS C C 104 175.460 175.460 177.370 -1.910 25476 1878 1 3 . 1 1 104 104 HIS CA C 104 60.710 60.710 60.049 0.661 25476 1879 1 3 . 1 1 104 104 HIS CB C 104 31.730 31.730 30.251 1.479 25476 1880 1 3 . 1 1 104 104 HIS H H 104 8.800 8.800 7.919 0.881 25476 1881 1 3 . 1 1 105 105 GLU N N 105 117.900 117.900 119.237 -1.337 25476 1882 1 3 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.938 -0.498 25476 1883 1 3 . 1 1 105 105 GLU C C 105 177.990 177.990 178.666 -0.676 25476 1884 1 3 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.241 0.369 25476 1885 1 3 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.609 -0.309 25476 1886 1 3 . 1 1 105 105 GLU H H 105 7.890 7.890 7.749 0.141 25476 1887 1 3 . 1 1 106 106 LYS N N 106 117.260 117.260 118.840 -1.580 25476 1888 1 3 . 1 1 106 106 LYS HA H 106 3.970 3.970 4.023 -0.053 25476 1889 1 3 . 1 1 106 106 LYS C C 106 179.570 179.570 178.998 0.572 25476 1890 1 3 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.870 -0.160 25476 1891 1 3 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.156 0.624 25476 1892 1 3 . 1 1 106 106 LYS H H 106 6.870 6.870 8.032 -1.162 25476 1893 1 3 . 1 1 107 107 LEU N N 107 123.180 123.180 121.339 1.841 25476 1894 1 3 . 1 1 107 107 LEU HA H 107 3.450 3.450 4.019 -0.569 25476 1895 1 3 . 1 1 107 107 LEU C C 107 177.170 177.170 178.445 -1.275 25476 1896 1 3 . 1 1 107 107 LEU CA C 107 57.340 57.340 57.516 -0.176 25476 1897 1 3 . 1 1 107 107 LEU CB C 107 41.240 41.240 41.938 -0.698 25476 1898 1 3 . 1 1 107 107 LEU H H 107 8.020 8.020 7.872 0.148 25476 1899 1 3 . 1 1 108 108 ARG N N 108 120.070 120.070 118.965 1.105 25476 1900 1 3 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.703 -0.293 25476 1901 1 3 . 1 1 108 108 ARG C C 108 178.460 178.460 178.187 0.273 25476 1902 1 3 . 1 1 108 108 ARG CA C 108 59.640 59.640 59.821 -0.181 25476 1903 1 3 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.156 0.054 25476 1904 1 3 . 1 1 108 108 ARG H H 108 8.680 8.680 7.543 1.137 25476 1905 1 3 . 1 1 109 109 ASP N N 109 119.480 119.480 118.194 1.286 25476 1906 1 3 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.391 -0.081 25476 1907 1 3 . 1 1 109 109 ASP C C 109 178.900 178.900 178.490 0.410 25476 1908 1 3 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.120 0.020 25476 1909 1 3 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.359 -0.489 25476 1910 1 3 . 1 1 109 109 ASP H H 109 7.890 7.890 7.969 -0.079 25476 1911 1 3 . 1 1 110 110 LEU N N 110 122.740 122.740 120.762 1.978 25476 1912 1 3 . 1 1 110 110 LEU HA H 110 4.100 4.100 4.058 0.042 25476 1913 1 3 . 1 1 110 110 LEU C C 110 179.830 179.830 178.194 1.636 25476 1914 1 3 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.663 0.017 25476 1915 1 3 . 1 1 110 110 LEU CB C 110 41.290 41.290 42.033 -0.743 25476 1916 1 3 . 1 1 110 110 LEU H H 110 7.650 7.650 7.111 0.539 25476 1917 1 3 . 1 1 111 111 LEU N N 111 122.170 122.170 119.200 2.970 25476 1918 1 3 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.713 0.117 25476 1919 1 3 . 1 1 111 111 LEU C C 111 179.990 179.990 179.233 0.757 25476 1920 1 3 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.003 0.607 25476 1921 1 3 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.685 -2.305 25476 1922 1 3 . 1 1 111 111 LEU H H 111 8.320 8.320 8.163 0.157 25476 1923 1 3 . 1 1 112 112 ILE N N 112 122.490 122.490 118.507 3.983 25476 1924 1 3 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.664 0.306 25476 1925 1 3 . 1 1 112 112 ILE C C 112 180.930 180.930 178.120 2.810 25476 1926 1 3 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.014 -0.354 25476 1927 1 3 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.895 -0.576 25476 1928 1 3 . 1 1 112 112 ILE H H 112 8.790 8.790 8.397 0.393 25476 1929 1 3 . 1 1 113 113 SER N N 113 119.860 119.860 113.950 5.910 25476 1930 1 3 . 1 1 113 113 SER HA H 113 4.400 4.400 4.222 0.178 25476 1931 1 3 . 1 1 113 113 SER C C 113 174.520 174.520 175.828 -1.308 25476 1932 1 3 . 1 1 113 113 SER CA C 113 61.390 61.390 60.459 0.931 25476 1933 1 3 . 1 1 113 113 SER CB C 113 62.630 62.630 63.079 -0.449 25476 1934 1 3 . 1 1 113 113 SER H H 113 7.720 7.720 7.611 0.109 25476 1935 1 3 . 1 1 114 114 MET N N 114 121.890 121.890 118.325 3.565 25476 1936 1 3 . 1 1 114 114 MET HA H 114 4.530 4.530 4.516 0.014 25476 1937 1 3 . 1 1 114 114 MET C C 114 173.850 173.850 174.840 -0.990 25476 1938 1 3 . 1 1 114 114 MET CA C 114 55.330 55.330 55.580 -0.250 25476 1939 1 3 . 1 1 114 114 MET CB C 114 34.040 34.040 33.590 0.450 25476 1940 1 3 . 1 1 114 114 MET H H 114 7.480 7.480 7.300 0.180 25476 1941 1 3 . 1 1 115 115 GLU N N 115 114.160 114.160 116.738 -2.578 25476 1942 1 3 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.966 -0.066 25476 1943 1 3 . 1 1 115 115 GLU C C 115 174.880 174.880 175.490 -0.610 25476 1944 1 3 . 1 1 115 115 GLU CA C 115 57.270 57.270 57.026 0.244 25476 1945 1 3 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.095 -0.585 25476 1946 1 3 . 1 1 115 115 GLU H H 115 8.110 8.110 7.710 0.400 25476 1947 1 3 . 1 1 116 116 LEU N N 116 119.870 119.870 119.082 0.788 25476 1948 1 3 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.671 -0.011 25476 1949 1 3 . 1 1 116 116 LEU C C 116 174.910 174.910 175.741 -0.831 25476 1950 1 3 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.120 -0.020 25476 1951 1 3 . 1 1 116 116 LEU CB C 116 45.570 45.570 44.163 1.407 25476 1952 1 3 . 1 1 116 116 LEU H H 116 7.970 7.970 7.657 0.313 25476 1953 1 3 . 1 1 117 117 ALA N N 117 123.730 123.730 122.715 1.015 25476 1954 1 3 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.462 -0.012 25476 1955 1 3 . 1 1 117 117 ALA C C 117 174.870 174.870 176.151 -1.281 25476 1956 1 3 . 1 1 117 117 ALA CA C 117 50.870 50.870 51.198 -0.328 25476 1957 1 3 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.427 0.273 25476 1958 1 3 . 1 1 117 117 ALA H H 117 7.530 7.530 8.205 -0.675 25476 1959 1 3 . 1 1 118 118 LEU N N 118 121.610 121.610 122.625 -1.015 25476 1960 1 3 . 1 1 118 118 LEU HA H 118 5.480 5.480 4.792 0.688 25476 1961 1 3 . 1 1 118 118 LEU C C 118 175.560 175.560 176.435 -0.875 25476 1962 1 3 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.292 -0.452 25476 1963 1 3 . 1 1 118 118 LEU CB C 118 43.490 43.490 42.324 1.166 25476 1964 1 3 . 1 1 118 118 LEU H H 118 8.250 8.250 8.584 -0.334 25476 1965 1 3 . 1 1 119 119 GLU N N 119 127.300 127.300 125.632 1.668 25476 1966 1 3 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.997 0.123 25476 1967 1 3 . 1 1 119 119 GLU C C 119 171.510 171.510 174.507 -2.997 25476 1968 1 3 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.358 -0.388 25476 1969 1 3 . 1 1 119 119 GLU CB C 119 32.870 32.870 31.885 0.985 25476 1970 1 3 . 1 1 119 119 GLU H H 119 8.730 8.730 8.705 0.025 25476 1971 1 3 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.597 -0.027 25476 1972 1 3 . 1 1 120 120 PRO C C 120 176.420 176.420 176.821 -0.401 25476 1973 1 3 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.496 -0.736 25476 1974 1 3 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.663 -0.273 25476 1975 1 3 . 1 1 121 121 SER N N 121 117.040 117.040 114.464 2.576 25476 1976 1 3 . 1 1 121 121 SER HA H 121 4.060 4.060 4.340 -0.280 25476 1977 1 3 . 1 1 121 121 SER C C 121 175.150 175.150 175.768 -0.618 25476 1978 1 3 . 1 1 121 121 SER CA C 121 59.230 59.230 57.941 1.289 25476 1979 1 3 . 1 1 121 121 SER CB C 121 62.970 62.970 64.302 -1.332 25476 1980 1 3 . 1 1 121 121 SER H H 121 8.690 8.690 8.326 0.364 25476 1981 1 3 . 1 1 122 122 ASP N N 122 124.140 124.140 123.517 0.623 25476 1982 1 3 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.453 -0.083 25476 1983 1 3 . 1 1 122 122 ASP C C 122 176.240 176.240 175.921 0.319 25476 1984 1 3 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.599 0.501 25476 1985 1 3 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.786 -0.596 25476 1986 1 3 . 1 1 122 122 ASP H H 122 8.830 8.830 8.877 -0.047 25476 1987 1 3 . 1 1 123 123 ASP N N 123 115.720 115.720 114.584 1.136 25476 1988 1 3 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.554 0.066 25476 1989 1 3 . 1 1 123 123 ASP C C 123 174.850 174.850 175.051 -0.201 25476 1990 1 3 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.484 -0.694 25476 1991 1 3 . 1 1 123 123 ASP CB C 123 40.270 40.270 39.288 0.981 25476 1992 1 3 . 1 1 123 123 ASP H H 123 8.210 8.210 8.018 0.192 25476 1993 1 3 . 1 1 124 124 PHE N N 124 122.440 122.440 121.132 1.308 25476 1994 1 3 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.893 0.137 25476 1995 1 3 . 1 1 124 124 PHE C C 124 174.040 174.040 174.302 -0.262 25476 1996 1 3 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.387 -1.347 25476 1997 1 3 . 1 1 124 124 PHE CB C 124 42.170 42.170 40.334 1.836 25476 1998 1 3 . 1 1 124 124 PHE H H 124 8.060 8.060 7.811 0.249 25476 1999 1 3 . 1 1 125 125 ASN N N 125 126.850 126.850 124.804 2.046 25476 2000 1 3 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.661 0.079 25476 2001 1 3 . 1 1 125 125 ASN C C 125 175.070 175.070 174.009 1.061 25476 2002 1 3 . 1 1 125 125 ASN CA C 125 53.430 53.430 53.021 0.409 25476 2003 1 3 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.672 0.058 25476 2004 1 3 . 1 1 125 125 ASN H H 125 7.700 7.700 8.735 -1.035 25476 2005 1 3 . 1 1 126 126 ASP N N 126 120.330 120.330 118.407 1.923 25476 2006 1 3 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.355 -0.225 25476 2007 1 3 . 1 1 126 126 ASP C C 126 176.280 176.280 174.387 1.893 25476 2008 1 3 . 1 1 126 126 ASP CA C 126 56.030 56.030 53.460 2.570 25476 2009 1 3 . 1 1 126 126 ASP CB C 126 39.100 39.100 42.230 -3.130 25476 2010 1 3 . 1 1 126 126 ASP H H 126 7.300 7.300 7.353 -0.053 25476 2011 1 3 . 1 1 127 127 GLU N N 127 127.840 127.840 120.049 7.791 25476 2012 1 3 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.165 0.195 25476 2013 1 3 . 1 1 127 127 GLU CA C 127 55.470 55.470 55.960 -0.490 25476 2014 1 3 . 1 1 127 127 GLU H H 127 8.320 8.320 8.280 0.040 25476 2015 1 3 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.522 0.148 25476 2016 1 3 . 1 1 128 128 PRO C C 128 176.010 176.010 176.064 -0.054 25476 2017 1 3 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.162 1.468 25476 2018 1 3 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.513 -0.573 25476 2019 1 3 . 1 1 129 129 VAL N N 129 122.940 122.940 121.559 1.381 25476 2020 1 3 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.815 0.175 25476 2021 1 3 . 1 1 129 129 VAL C C 129 173.650 173.650 175.640 -1.990 25476 2022 1 3 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.191 -1.211 25476 2023 1 3 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.513 -0.383 25476 2024 1 3 . 1 1 129 129 VAL H H 129 7.990 7.990 8.179 -0.189 25476 2025 1 3 . 1 1 130 130 LYS N N 130 124.620 124.620 129.640 -5.020 25476 2026 1 3 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.142 0.368 25476 2027 1 3 . 1 1 130 130 LYS C C 130 174.900 174.900 176.903 -2.003 25476 2028 1 3 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.432 -3.282 25476 2029 1 3 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.413 3.098 25476 2030 1 3 . 1 1 130 130 LYS H H 130 8.240 8.240 8.425 -0.185 25476 2031 1 3 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.238 -0.438 25476 2032 1 3 . 1 1 131 131 LEU C C 131 178.400 178.400 178.105 0.295 25476 2033 1 3 . 1 1 131 131 LEU CA C 131 56.050 56.050 57.221 -1.171 25476 2034 1 3 . 1 1 131 131 LEU CB C 131 40.800 40.800 41.971 -1.171 25476 2035 1 3 . 1 1 132 132 SER N N 132 115.550 115.550 113.246 2.304 25476 2036 1 3 . 1 1 132 132 SER HA H 132 4.610 4.610 4.492 0.118 25476 2037 1 3 . 1 1 132 132 SER C C 132 172.970 172.970 173.430 -0.460 25476 2038 1 3 . 1 1 132 132 SER CA C 132 58.620 58.620 58.112 0.508 25476 2039 1 3 . 1 1 132 132 SER CB C 132 63.310 63.310 61.970 1.340 25476 2040 1 3 . 1 1 132 132 SER H H 132 9.070 9.070 8.154 0.916 25476 2041 1 4 . 1 1 2 2 THR N N 2 118.280 118.280 114.568 3.712 25476 2042 1 4 . 1 1 2 2 THR HA H 2 4.550 4.550 4.390 0.160 25476 2043 1 4 . 1 1 2 2 THR C C 2 174.150 174.150 175.233 -1.083 25476 2044 1 4 . 1 1 2 2 THR CA C 2 61.600 61.600 61.541 0.059 25476 2045 1 4 . 1 1 2 2 THR CB C 2 69.970 69.970 69.925 0.045 25476 2046 1 4 . 1 1 2 2 THR H H 2 8.470 8.470 7.709 0.761 25476 2047 1 4 . 1 1 3 3 LEU N N 3 125.130 125.130 121.209 3.921 25476 2048 1 4 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.552 0.108 25476 2049 1 4 . 1 1 3 3 LEU C C 3 176.690 176.690 178.133 -1.443 25476 2050 1 4 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.693 -0.153 25476 2051 1 4 . 1 1 3 3 LEU CB C 3 40.050 40.050 41.018 -0.968 25476 2052 1 4 . 1 1 3 3 LEU H H 3 8.580 8.580 8.320 0.260 25476 2053 1 4 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.347 0.013 25476 2054 1 4 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.829 0.641 25476 2055 1 4 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.688 0.202 25476 2056 1 4 . 1 1 5 5 SER HA H 5 4.580 4.580 4.361 0.219 25476 2057 1 4 . 1 1 5 5 SER C C 5 175.510 175.510 175.224 0.286 25476 2058 1 4 . 1 1 5 5 SER CA C 5 59.410 59.410 59.087 0.323 25476 2059 1 4 . 1 1 5 5 SER CB C 5 63.110 63.110 63.260 -0.150 25476 2060 1 4 . 1 1 6 6 GLY N N 6 112.010 112.010 109.143 2.867 25476 2061 1 4 . 1 1 6 6 GLY C C 6 173.300 173.300 174.169 -0.869 25476 2062 1 4 . 1 1 6 6 GLY CA C 6 44.530 44.530 45.145 -0.615 25476 2063 1 4 . 1 1 6 6 GLY H H 6 8.620 8.620 7.653 0.967 25476 2064 1 4 . 1 1 7 7 HIS N N 7 119.440 119.440 120.449 -1.009 25476 2065 1 4 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.985 -0.305 25476 2066 1 4 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.548 2.792 25476 2067 1 4 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.303 0.727 25476 2068 1 4 . 1 1 7 7 HIS H H 7 7.170 7.170 7.995 -0.825 25476 2069 1 4 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.579 0.211 25476 2070 1 4 . 1 1 8 8 PRO C C 8 178.140 178.140 177.249 0.891 25476 2071 1 4 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.003 -0.153 25476 2072 1 4 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.776 -0.796 25476 2073 1 4 . 1 1 9 9 LYS N N 9 127.570 127.570 126.621 0.949 25476 2074 1 4 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.163 0.007 25476 2075 1 4 . 1 1 9 9 LYS C C 9 178.050 178.050 178.551 -0.501 25476 2076 1 4 . 1 1 9 9 LYS CA C 9 60.830 60.830 59.678 1.152 25476 2077 1 4 . 1 1 9 9 LYS H H 9 9.000 9.000 8.761 0.239 25476 2078 1 4 . 1 1 10 10 SER N N 10 113.610 113.610 115.694 -2.084 25476 2079 1 4 . 1 1 10 10 SER HA H 10 4.120 4.120 4.330 -0.210 25476 2080 1 4 . 1 1 10 10 SER C C 10 176.750 176.750 176.850 -0.100 25476 2081 1 4 . 1 1 10 10 SER CA C 10 61.050 61.050 61.023 0.027 25476 2082 1 4 . 1 1 10 10 SER H H 10 9.170 9.170 8.375 0.795 25476 2083 1 4 . 1 1 11 11 ARG N N 11 122.220 122.220 122.208 0.012 25476 2084 1 4 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.157 -0.007 25476 2085 1 4 . 1 1 11 11 ARG C C 11 177.890 177.890 178.590 -0.700 25476 2086 1 4 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.911 -0.631 25476 2087 1 4 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.699 0.311 25476 2088 1 4 . 1 1 11 11 ARG H H 11 7.100 7.100 8.332 -1.232 25476 2089 1 4 . 1 1 12 12 LEU N N 12 121.360 121.360 120.530 0.830 25476 2090 1 4 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.828 -0.258 25476 2091 1 4 . 1 1 12 12 LEU C C 12 177.890 177.890 178.568 -0.678 25476 2092 1 4 . 1 1 12 12 LEU CA C 12 56.000 56.000 58.127 -2.127 25476 2093 1 4 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.357 -1.917 25476 2094 1 4 . 1 1 12 12 LEU H H 12 7.220 7.220 7.927 -0.707 25476 2095 1 4 . 1 1 13 13 ILE N N 13 118.920 118.920 120.041 -1.121 25476 2096 1 4 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.944 -0.174 25476 2097 1 4 . 1 1 13 13 ILE C C 13 179.060 179.060 178.719 0.341 25476 2098 1 4 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.765 0.365 25476 2099 1 4 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.915 -0.485 25476 2100 1 4 . 1 1 13 13 ILE H H 13 8.590 8.590 8.076 0.514 25476 2101 1 4 . 1 1 14 14 LYS N N 14 121.950 121.950 119.176 2.774 25476 2102 1 4 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.092 0.038 25476 2103 1 4 . 1 1 14 14 LYS C C 14 179.810 179.810 178.931 0.879 25476 2104 1 4 . 1 1 14 14 LYS CA C 14 60.060 60.060 59.126 0.934 25476 2105 1 4 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.102 -0.022 25476 2106 1 4 . 1 1 14 14 LYS H H 14 7.730 7.730 8.260 -0.530 25476 2107 1 4 . 1 1 15 15 LYS N N 15 119.750 119.750 118.630 1.120 25476 2108 1 4 . 1 1 15 15 LYS HA H 15 4.120 4.120 4.042 0.078 25476 2109 1 4 . 1 1 15 15 LYS C C 15 179.700 179.700 179.359 0.341 25476 2110 1 4 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.005 -0.275 25476 2111 1 4 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.465 -0.515 25476 2112 1 4 . 1 1 15 15 LYS H H 15 7.800 7.800 7.753 0.047 25476 2113 1 4 . 1 1 16 16 PHE N N 16 117.660 117.660 119.271 -1.611 25476 2114 1 4 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.134 0.626 25476 2115 1 4 . 1 1 16 16 PHE C C 16 180.960 180.960 177.955 3.005 25476 2116 1 4 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.312 -3.672 25476 2117 1 4 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.007 0.793 25476 2118 1 4 . 1 1 16 16 PHE H H 16 9.130 9.130 8.524 0.606 25476 2119 1 4 . 1 1 17 17 THR N N 17 120.130 120.130 115.789 4.341 25476 2120 1 4 . 1 1 17 17 THR HA H 17 4.370 4.370 3.893 0.477 25476 2121 1 4 . 1 1 17 17 THR C C 17 175.550 175.550 176.072 -0.522 25476 2122 1 4 . 1 1 17 17 THR CA C 17 66.840 66.840 65.791 1.049 25476 2123 1 4 . 1 1 17 17 THR CB C 17 68.920 68.920 68.498 0.422 25476 2124 1 4 . 1 1 17 17 THR H H 17 8.940 8.940 8.088 0.852 25476 2125 1 4 . 1 1 18 18 ALA N N 18 122.170 122.170 122.613 -0.443 25476 2126 1 4 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.189 0.191 25476 2127 1 4 . 1 1 18 18 ALA C C 18 178.110 178.110 177.634 0.476 25476 2128 1 4 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.227 0.163 25476 2129 1 4 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.693 -0.393 25476 2130 1 4 . 1 1 18 18 ALA H H 18 7.310 7.310 7.600 -0.290 25476 2131 1 4 . 1 1 19 19 LEU N N 19 116.080 116.080 116.838 -0.758 25476 2132 1 4 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.320 0.050 25476 2133 1 4 . 1 1 19 19 LEU C C 19 176.620 176.620 176.132 0.488 25476 2134 1 4 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.199 2.431 25476 2135 1 4 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.138 0.282 25476 2136 1 4 . 1 1 19 19 LEU H H 19 7.580 7.580 7.635 -0.055 25476 2137 1 4 . 1 1 20 20 GLY N N 20 103.280 103.280 106.518 -3.238 25476 2138 1 4 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.593 -0.533 25476 2139 1 4 . 1 1 20 20 GLY H H 20 7.650 7.650 7.191 0.459 25476 2140 1 4 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.321 0.549 25476 2141 1 4 . 1 1 21 21 PRO C C 21 174.850 174.850 176.218 -1.368 25476 2142 1 4 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.312 0.828 25476 2143 1 4 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.313 -3.413 25476 2144 1 4 . 1 1 22 22 TYR N N 22 120.690 120.690 118.161 2.529 25476 2145 1 4 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.301 0.879 25476 2146 1 4 . 1 1 22 22 TYR C C 22 176.340 176.340 176.554 -0.214 25476 2147 1 4 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.261 -1.481 25476 2148 1 4 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.074 3.426 25476 2149 1 4 . 1 1 22 22 TYR H H 22 7.680 7.680 8.248 -0.568 25476 2150 1 4 . 1 1 23 23 ILE N N 23 119.130 119.130 123.018 -3.888 25476 2151 1 4 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.178 -0.058 25476 2152 1 4 . 1 1 23 23 ILE C C 23 174.210 174.210 176.340 -2.130 25476 2153 1 4 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.458 0.372 25476 2154 1 4 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.153 0.347 25476 2155 1 4 . 1 1 23 23 ILE H H 23 8.860 8.860 8.320 0.540 25476 2156 1 4 . 1 1 24 24 ARG N N 24 126.540 126.540 128.505 -1.965 25476 2157 1 4 . 1 1 24 24 ARG C C 24 177.290 177.290 176.302 0.988 25476 2158 1 4 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.137 -3.047 25476 2159 1 4 . 1 1 24 24 ARG H H 24 8.100 8.100 9.015 -0.915 25476 2160 1 4 . 1 1 25 25 GLU N N 25 126.990 126.990 126.763 0.227 25476 2161 1 4 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.293 -0.193 25476 2162 1 4 . 1 1 25 25 GLU C C 25 176.780 176.780 177.315 -0.535 25476 2163 1 4 . 1 1 25 25 GLU CA C 25 60.860 60.860 56.862 3.998 25476 2164 1 4 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.527 -0.877 25476 2165 1 4 . 1 1 25 25 GLU H H 25 9.400 9.400 8.551 0.849 25476 2166 1 4 . 1 1 26 26 GLY N N 26 109.830 109.830 112.115 -2.285 25476 2167 1 4 . 1 1 26 26 GLY C C 26 174.380 174.380 173.727 0.653 25476 2168 1 4 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.577 0.943 25476 2169 1 4 . 1 1 26 26 GLY H H 26 8.070 8.070 8.202 -0.132 25476 2170 1 4 . 1 1 27 27 GLN N N 27 117.670 117.670 119.009 -1.339 25476 2171 1 4 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.075 0.235 25476 2172 1 4 . 1 1 27 27 GLN C C 27 175.350 175.350 176.591 -1.241 25476 2173 1 4 . 1 1 27 27 GLN CA C 27 55.320 55.320 55.978 -0.659 25476 2174 1 4 . 1 1 27 27 GLN CB C 27 29.340 29.340 29.449 -0.109 25476 2175 1 4 . 1 1 27 27 GLN H H 27 7.690 7.690 8.311 -0.621 25476 2176 1 4 . 1 1 28 28 CYS N N 28 119.770 119.770 117.565 2.205 25476 2177 1 4 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.118 0.422 25476 2178 1 4 . 1 1 28 28 CYS C C 28 173.480 173.480 175.844 -2.364 25476 2179 1 4 . 1 1 28 28 CYS CA C 28 58.810 58.810 61.304 -2.494 25476 2180 1 4 . 1 1 28 28 CYS CB C 28 27.070 27.070 27.289 -0.219 25476 2181 1 4 . 1 1 28 28 CYS H H 28 7.510 7.510 8.645 -1.135 25476 2182 1 4 . 1 1 29 29 GLU N N 29 124.370 124.370 120.463 3.907 25476 2183 1 4 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.368 0.172 25476 2184 1 4 . 1 1 29 29 GLU C C 29 174.810 174.810 174.912 -0.102 25476 2185 1 4 . 1 1 29 29 GLU CA C 29 55.560 55.560 55.633 -0.073 25476 2186 1 4 . 1 1 29 29 GLU CB C 29 30.030 30.030 28.683 1.347 25476 2187 1 4 . 1 1 29 29 GLU H H 29 7.840 7.840 8.319 -0.479 25476 2188 1 4 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.782 -0.202 25476 2189 1 4 . 1 1 31 31 ASN CA C 31 53.450 53.450 53.920 -0.470 25476 2190 1 4 . 1 1 31 31 ASN CB C 31 39.200 39.200 40.465 -1.265 25476 2191 1 4 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.932 0.578 25476 2192 1 4 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.368 0.682 25476 2193 1 4 . 1 1 32 32 ARG CB C 32 33.480 33.480 31.728 1.752 25476 2194 1 4 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.580 0.660 25476 2195 1 4 . 1 1 34 34 PHE C C 34 172.210 172.210 173.174 -0.964 25476 2196 1 4 . 1 1 34 34 PHE CA C 34 57.690 57.690 57.346 0.344 25476 2197 1 4 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.971 2.129 25476 2198 1 4 . 1 1 35 35 PHE N N 35 125.800 125.800 124.130 1.670 25476 2199 1 4 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.863 0.307 25476 2200 1 4 . 1 1 35 35 PHE C C 35 173.110 173.110 174.289 -1.179 25476 2201 1 4 . 1 1 35 35 PHE CA C 35 54.860 54.860 55.088 -0.228 25476 2202 1 4 . 1 1 35 35 PHE CB C 35 43.250 43.250 41.667 1.583 25476 2203 1 4 . 1 1 35 35 PHE H H 35 8.660 8.660 7.754 0.906 25476 2204 1 4 . 1 1 36 36 ASP N N 36 120.960 120.960 121.692 -0.732 25476 2205 1 4 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.627 -0.047 25476 2206 1 4 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.705 1.456 25476 2207 1 4 . 1 1 36 36 ASP CB C 36 41.030 41.030 40.983 0.047 25476 2208 1 4 . 1 1 36 36 ASP H H 36 9.370 9.370 8.566 0.804 25476 2209 1 4 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.596 -0.606 25476 2210 1 4 . 1 1 37 37 CYS C C 37 173.460 173.460 173.610 -0.150 25476 2211 1 4 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.388 0.222 25476 2212 1 4 . 1 1 37 37 CYS CB C 37 27.170 27.170 29.113 -1.944 25476 2213 1 4 . 1 1 38 38 LEU N N 38 131.890 131.890 129.777 2.113 25476 2214 1 4 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.747 -0.537 25476 2215 1 4 . 1 1 38 38 LEU C C 38 175.570 175.570 176.226 -0.656 25476 2216 1 4 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.022 -0.492 25476 2217 1 4 . 1 1 38 38 LEU CB C 38 37.270 37.270 42.198 -4.928 25476 2218 1 4 . 1 1 38 38 LEU H H 38 8.430 8.430 8.677 -0.247 25476 2219 1 4 . 1 1 39 39 ALA N N 39 127.100 127.100 129.443 -2.343 25476 2220 1 4 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.664 -0.324 25476 2221 1 4 . 1 1 39 39 ALA C C 39 178.500 178.500 176.856 1.644 25476 2222 1 4 . 1 1 39 39 ALA CA C 39 55.380 55.380 52.252 3.128 25476 2223 1 4 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.983 0.127 25476 2224 1 4 . 1 1 39 39 ALA H H 39 7.960 7.960 8.297 -0.337 25476 2225 1 4 . 1 1 40 40 VAL N N 40 116.260 116.260 119.044 -2.784 25476 2226 1 4 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.481 0.139 25476 2227 1 4 . 1 1 40 40 VAL C C 40 173.990 173.990 174.984 -0.994 25476 2228 1 4 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.775 0.165 25476 2229 1 4 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.566 0.914 25476 2230 1 4 . 1 1 40 40 VAL H H 40 8.590 8.590 8.188 0.402 25476 2231 1 4 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.672 -0.792 25476 2232 1 4 . 1 1 41 41 CYS C C 41 174.640 174.640 175.653 -1.013 25476 2233 1 4 . 1 1 41 41 CYS CA C 41 59.280 59.280 58.919 0.360 25476 2234 1 4 . 1 1 41 41 CYS CB C 41 26.700 26.700 29.086 -2.386 25476 2235 1 4 . 1 1 42 42 VAL N N 42 131.320 131.320 122.449 8.871 25476 2236 1 4 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.875 -0.395 25476 2237 1 4 . 1 1 42 42 VAL C C 42 176.270 176.270 176.331 -0.061 25476 2238 1 4 . 1 1 42 42 VAL CA C 42 65.390 65.390 64.385 1.005 25476 2239 1 4 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.660 0.180 25476 2240 1 4 . 1 1 42 42 VAL H H 42 8.610 8.610 8.512 0.098 25476 2241 1 4 . 1 1 43 43 ASN N N 43 116.070 116.070 114.828 1.242 25476 2242 1 4 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.916 -0.126 25476 2243 1 4 . 1 1 43 43 ASN C C 43 175.160 175.160 173.608 1.552 25476 2244 1 4 . 1 1 43 43 ASN CA C 43 52.690 52.690 52.874 -0.184 25476 2245 1 4 . 1 1 43 43 ASN CB C 43 39.940 39.940 41.561 -1.621 25476 2246 1 4 . 1 1 43 43 ASN H H 43 7.280 7.280 7.827 -0.547 25476 2247 1 4 . 1 1 44 44 VAL N N 44 121.350 121.350 119.488 1.862 25476 2248 1 4 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.355 -0.235 25476 2249 1 4 . 1 1 44 44 VAL C C 44 175.460 175.460 176.596 -1.136 25476 2250 1 4 . 1 1 44 44 VAL CA C 44 61.930 61.930 62.035 -0.105 25476 2251 1 4 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.814 -1.184 25476 2252 1 4 . 1 1 44 44 VAL H H 44 8.520 8.520 8.447 0.073 25476 2253 1 4 . 1 1 45 45 LYS N N 45 123.190 123.190 120.271 2.919 25476 2254 1 4 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.228 -0.018 25476 2255 1 4 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.172 0.908 25476 2256 1 4 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.672 -0.172 25476 2257 1 4 . 1 1 45 45 LYS H H 45 8.100 8.100 8.262 -0.162 25476 2258 1 4 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.440 -0.070 25476 2259 1 4 . 1 1 46 46 PRO C C 46 174.380 174.380 175.838 -1.458 25476 2260 1 4 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.439 0.621 25476 2261 1 4 . 1 1 46 46 PRO CB C 46 31.660 31.660 32.046 -0.386 25476 2262 1 4 . 1 1 47 47 ALA N N 47 124.500 124.500 123.129 1.371 25476 2263 1 4 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.250 0.220 25476 2264 1 4 . 1 1 47 47 ALA C C 47 176.130 176.130 177.865 -1.735 25476 2265 1 4 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.686 -0.946 25476 2266 1 4 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.343 -1.043 25476 2267 1 4 . 1 1 47 47 ALA H H 47 8.300 8.300 8.374 -0.074 25476 2268 1 4 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.302 -0.492 25476 2269 1 4 . 1 1 48 48 PRO C C 48 178.270 178.270 178.386 -0.116 25476 2270 1 4 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.749 1.401 25476 2271 1 4 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.061 -0.071 25476 2272 1 4 . 1 1 49 49 GLU N N 49 116.300 116.300 117.924 -1.624 25476 2273 1 4 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.097 0.193 25476 2274 1 4 . 1 1 49 49 GLU C C 49 176.550 176.550 176.471 0.079 25476 2275 1 4 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.362 -0.242 25476 2276 1 4 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.731 -0.441 25476 2277 1 4 . 1 1 49 49 GLU H H 49 9.390 9.390 8.745 0.645 25476 2278 1 4 . 1 1 50 50 LYS N N 50 120.030 120.030 118.041 1.989 25476 2279 1 4 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.379 0.081 25476 2280 1 4 . 1 1 50 50 LYS C C 50 175.070 175.070 175.571 -0.501 25476 2281 1 4 . 1 1 50 50 LYS CA C 50 54.670 54.670 54.959 -0.289 25476 2282 1 4 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.569 0.600 25476 2283 1 4 . 1 1 50 50 LYS H H 50 8.350 8.350 7.359 0.991 25476 2284 1 4 . 1 1 51 51 ARG N N 51 119.720 119.720 121.670 -1.950 25476 2285 1 4 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.108 0.192 25476 2286 1 4 . 1 1 51 51 ARG C C 51 174.530 174.530 175.159 -0.629 25476 2287 1 4 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.234 0.456 25476 2288 1 4 . 1 1 51 51 ARG CB C 51 32.000 32.000 30.654 1.345 25476 2289 1 4 . 1 1 51 51 ARG H H 51 7.220 7.220 7.278 -0.058 25476 2290 1 4 . 1 1 52 52 GLU N N 52 119.700 119.700 124.343 -4.643 25476 2291 1 4 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.015 0.675 25476 2292 1 4 . 1 1 52 52 GLU C C 52 175.260 175.260 175.358 -0.098 25476 2293 1 4 . 1 1 52 52 GLU CA C 52 54.730 54.730 55.608 -0.878 25476 2294 1 4 . 1 1 52 52 GLU H H 52 8.690 8.690 8.372 0.318 25476 2295 1 4 . 1 1 53 53 PHE N N 53 116.950 116.950 119.776 -2.826 25476 2296 1 4 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.657 0.503 25476 2297 1 4 . 1 1 53 53 PHE C C 53 174.970 174.970 175.102 -0.132 25476 2298 1 4 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.503 1.457 25476 2299 1 4 . 1 1 53 53 PHE CB C 53 44.210 44.210 41.966 2.244 25476 2300 1 4 . 1 1 53 53 PHE H H 53 8.590 8.590 7.619 0.971 25476 2301 1 4 . 1 1 54 54 TRP N N 54 123.100 123.100 120.306 2.794 25476 2302 1 4 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.785 1.115 25476 2303 1 4 . 1 1 54 54 TRP C C 54 177.820 177.820 175.939 1.881 25476 2304 1 4 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.468 -1.228 25476 2305 1 4 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.701 1.169 25476 2306 1 4 . 1 1 54 54 TRP H H 54 9.520 9.520 9.065 0.455 25476 2307 1 4 . 1 1 55 55 GLY N N 55 110.840 110.840 109.662 1.178 25476 2308 1 4 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.181 2.059 25476 2309 1 4 . 1 1 55 55 GLY H H 55 9.550 9.550 8.401 1.149 25476 2310 1 4 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.553 0.657 25476 2311 1 4 . 1 1 57 57 TRP CA C 57 57.700 57.700 54.599 3.101 25476 2312 1 4 . 1 1 58 58 MET N N 58 122.630 122.630 121.096 1.534 25476 2313 1 4 . 1 1 58 58 MET HA H 58 4.370 4.370 4.808 -0.438 25476 2314 1 4 . 1 1 58 58 MET CA C 58 55.230 55.230 54.627 0.603 25476 2315 1 4 . 1 1 58 58 MET CB C 58 35.910 35.910 35.048 0.862 25476 2316 1 4 . 1 1 58 58 MET H H 58 9.680 9.680 7.927 1.753 25476 2317 1 4 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.989 0.441 25476 2318 1 4 . 1 1 59 59 GLU C C 59 175.570 175.570 174.843 0.727 25476 2319 1 4 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.823 -0.563 25476 2320 1 4 . 1 1 60 60 LEU N N 60 126.920 126.920 119.950 6.970 25476 2321 1 4 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.865 1.195 25476 2322 1 4 . 1 1 60 60 LEU C C 60 176.470 176.470 175.132 1.338 25476 2323 1 4 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.581 -0.971 25476 2324 1 4 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.248 2.232 25476 2325 1 4 . 1 1 60 60 LEU H H 60 9.610 9.610 8.310 1.300 25476 2326 1 4 . 1 1 61 61 GLU N N 61 123.560 123.560 120.263 3.297 25476 2327 1 4 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.620 0.560 25476 2328 1 4 . 1 1 61 61 GLU C C 61 174.930 174.930 175.968 -1.038 25476 2329 1 4 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.577 0.473 25476 2330 1 4 . 1 1 61 61 GLU CB C 61 32.200 32.200 31.809 0.391 25476 2331 1 4 . 1 1 61 61 GLU H H 61 9.070 9.070 8.587 0.483 25476 2332 1 4 . 1 1 62 62 ALA N N 62 129.830 129.830 129.218 0.612 25476 2333 1 4 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.244 -0.124 25476 2334 1 4 . 1 1 62 62 ALA C C 62 175.760 175.760 176.916 -1.156 25476 2335 1 4 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.768 -0.088 25476 2336 1 4 . 1 1 62 62 ALA CB C 62 21.330 21.330 19.046 2.284 25476 2337 1 4 . 1 1 62 62 ALA H H 62 9.030 9.030 8.502 0.528 25476 2338 1 4 . 1 1 63 63 GLN N N 63 122.550 122.550 121.712 0.838 25476 2339 1 4 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.491 0.259 25476 2340 1 4 . 1 1 63 63 GLN C C 63 175.470 175.470 177.383 -1.913 25476 2341 1 4 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.189 -0.249 25476 2342 1 4 . 1 1 63 63 GLN CB C 63 29.650 29.650 30.458 -0.808 25476 2343 1 4 . 1 1 63 63 GLN H H 63 8.170 8.170 7.860 0.310 25476 2344 1 4 . 1 1 64 64 GLU N N 64 120.760 120.760 120.256 0.504 25476 2345 1 4 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.044 -0.494 25476 2346 1 4 . 1 1 64 64 GLU C C 64 176.740 176.740 176.942 -0.202 25476 2347 1 4 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.370 1.970 25476 2348 1 4 . 1 1 64 64 GLU CB C 64 29.620 29.620 30.015 -0.395 25476 2349 1 4 . 1 1 64 64 GLU H H 64 8.730 8.730 8.437 0.293 25476 2350 1 4 . 1 1 65 65 LYS N N 65 112.820 112.820 117.822 -5.002 25476 2351 1 4 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.484 0.146 25476 2352 1 4 . 1 1 65 65 LYS C C 65 175.960 175.960 175.240 0.720 25476 2353 1 4 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.304 -0.514 25476 2354 1 4 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.161 1.139 25476 2355 1 4 . 1 1 65 65 LYS H H 65 8.750 8.750 8.107 0.643 25476 2356 1 4 . 1 1 66 66 ARG N N 66 115.100 115.100 117.777 -2.677 25476 2357 1 4 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.928 0.372 25476 2358 1 4 . 1 1 66 66 ARG C C 66 172.980 172.980 173.859 -0.879 25476 2359 1 4 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.501 -1.971 25476 2360 1 4 . 1 1 66 66 ARG CB C 66 33.000 33.000 34.372 -1.372 25476 2361 1 4 . 1 1 66 66 ARG H H 66 7.520 7.520 7.445 0.075 25476 2362 1 4 . 1 1 67 67 PHE N N 67 119.960 119.960 117.425 2.535 25476 2363 1 4 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.864 0.876 25476 2364 1 4 . 1 1 67 67 PHE C C 67 176.040 176.040 173.952 2.088 25476 2365 1 4 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.976 -1.856 25476 2366 1 4 . 1 1 67 67 PHE CB C 67 41.950 41.950 43.838 -1.888 25476 2367 1 4 . 1 1 67 67 PHE H H 67 9.220 9.220 8.351 0.869 25476 2368 1 4 . 1 1 68 68 THR N N 68 111.030 111.030 119.300 -8.270 25476 2369 1 4 . 1 1 68 68 THR HA H 68 6.310 6.310 4.953 1.357 25476 2370 1 4 . 1 1 68 68 THR C C 68 175.340 175.340 173.245 2.095 25476 2371 1 4 . 1 1 68 68 THR CA C 68 57.990 57.990 59.520 -1.530 25476 2372 1 4 . 1 1 68 68 THR CB C 68 70.260 70.260 71.370 -1.110 25476 2373 1 4 . 1 1 68 68 THR H H 68 9.200 9.200 8.340 0.860 25476 2374 1 4 . 1 1 69 69 TYR N N 69 115.700 115.700 120.627 -4.927 25476 2375 1 4 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.947 1.143 25476 2376 1 4 . 1 1 69 69 TYR C C 69 173.310 173.310 172.832 0.478 25476 2377 1 4 . 1 1 69 69 TYR CA C 69 55.500 55.500 56.704 -1.204 25476 2378 1 4 . 1 1 69 69 TYR CB C 69 44.600 44.600 40.221 4.378 25476 2379 1 4 . 1 1 69 69 TYR H H 69 8.190 8.190 8.565 -0.375 25476 2380 1 4 . 1 1 70 70 ARG N N 70 115.070 115.070 121.883 -6.813 25476 2381 1 4 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.547 0.963 25476 2382 1 4 . 1 1 70 70 ARG C C 70 175.220 175.220 174.336 0.884 25476 2383 1 4 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.945 0.205 25476 2384 1 4 . 1 1 70 70 ARG CB C 70 32.780 32.780 33.618 -0.838 25476 2385 1 4 . 1 1 70 70 ARG H H 70 8.160 8.160 8.524 -0.364 25476 2386 1 4 . 1 1 71 71 TYR N N 71 118.750 118.750 121.780 -3.030 25476 2387 1 4 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.254 -1.134 25476 2388 1 4 . 1 1 71 71 TYR H H 71 9.220 9.220 8.482 0.738 25476 2389 1 4 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.499 -0.079 25476 2390 1 4 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.577 0.273 25476 2391 1 4 . 1 1 72 72 GLN CB C 72 30.990 30.990 32.144 -1.154 25476 2392 1 4 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.686 1.144 25476 2393 1 4 . 1 1 73 73 PHE C C 73 177.280 177.280 175.387 1.893 25476 2394 1 4 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.370 -3.690 25476 2395 1 4 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.614 -0.814 25476 2396 1 4 . 1 1 74 74 GLY N N 74 108.520 108.520 108.705 -0.185 25476 2397 1 4 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.502 1.978 25476 2398 1 4 . 1 1 74 74 GLY H H 74 9.350 9.350 7.889 1.461 25476 2399 1 4 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.216 0.154 25476 2400 1 4 . 1 1 75 75 LEU C C 75 174.270 174.270 174.990 -0.720 25476 2401 1 4 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.585 -0.795 25476 2402 1 4 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.176 0.684 25476 2403 1 4 . 1 1 76 76 PHE N N 76 135.230 135.230 126.911 8.319 25476 2404 1 4 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.064 -0.724 25476 2405 1 4 . 1 1 76 76 PHE C C 76 174.690 174.690 173.776 0.914 25476 2406 1 4 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.689 0.211 25476 2407 1 4 . 1 1 76 76 PHE H H 76 9.840 9.840 8.476 1.364 25476 2408 1 4 . 1 1 77 77 ASP N N 77 125.580 125.580 127.312 -1.732 25476 2409 1 4 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.489 -0.159 25476 2410 1 4 . 1 1 77 77 ASP C C 77 178.310 178.310 175.968 2.342 25476 2411 1 4 . 1 1 77 77 ASP CA C 77 52.750 52.750 53.058 -0.308 25476 2412 1 4 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.336 -0.876 25476 2413 1 4 . 1 1 77 77 ASP H H 77 7.940 7.940 8.245 -0.305 25476 2414 1 4 . 1 1 78 78 LYS N N 78 116.610 116.610 118.000 -1.390 25476 2415 1 4 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.819 0.271 25476 2416 1 4 . 1 1 78 78 LYS C C 78 176.910 176.910 176.869 0.041 25476 2417 1 4 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.264 -0.684 25476 2418 1 4 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.262 -1.232 25476 2419 1 4 . 1 1 78 78 LYS H H 78 9.030 9.030 8.124 0.906 25476 2420 1 4 . 1 1 79 79 GLU N N 79 120.510 120.510 117.669 2.841 25476 2421 1 4 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.157 0.103 25476 2422 1 4 . 1 1 79 79 GLU C C 79 176.160 176.160 176.380 -0.220 25476 2423 1 4 . 1 1 79 79 GLU CA C 79 55.330 55.330 55.957 -0.627 25476 2424 1 4 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.147 0.273 25476 2425 1 4 . 1 1 79 79 GLU H H 79 7.850 7.850 7.995 -0.145 25476 2426 1 4 . 1 1 80 80 GLY N N 80 109.610 109.610 108.330 1.280 25476 2427 1 4 . 1 1 80 80 GLY C C 80 172.820 172.820 173.068 -0.248 25476 2428 1 4 . 1 1 80 80 GLY CA C 80 45.380 45.380 44.957 0.423 25476 2429 1 4 . 1 1 80 80 GLY H H 80 7.800 7.800 7.367 0.433 25476 2430 1 4 . 1 1 81 81 ASN N N 81 117.680 117.680 116.115 1.565 25476 2431 1 4 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.203 0.507 25476 2432 1 4 . 1 1 81 81 ASN C C 81 174.110 174.110 174.727 -0.617 25476 2433 1 4 . 1 1 81 81 ASN CA C 81 51.160 51.160 51.319 -0.159 25476 2434 1 4 . 1 1 81 81 ASN CB C 81 40.160 40.160 39.196 0.964 25476 2435 1 4 . 1 1 81 81 ASN H H 81 7.560 7.560 7.609 -0.049 25476 2436 1 4 . 1 1 82 82 TRP N N 82 122.870 122.870 120.927 1.943 25476 2437 1 4 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.501 0.649 25476 2438 1 4 . 1 1 82 82 TRP C C 82 177.480 177.480 176.282 1.198 25476 2439 1 4 . 1 1 82 82 TRP CA C 82 57.260 57.260 57.319 -0.059 25476 2440 1 4 . 1 1 82 82 TRP H H 82 8.480 8.480 7.727 0.753 25476 2441 1 4 . 1 1 83 83 THR N N 83 118.050 118.050 117.833 0.217 25476 2442 1 4 . 1 1 83 83 THR HA H 83 4.820 4.820 4.719 0.101 25476 2443 1 4 . 1 1 83 83 THR C C 83 173.630 173.630 173.598 0.032 25476 2444 1 4 . 1 1 83 83 THR CA C 83 60.470 60.470 61.719 -1.249 25476 2445 1 4 . 1 1 83 83 THR CB C 83 72.050 72.050 71.943 0.107 25476 2446 1 4 . 1 1 83 83 THR H H 83 9.280 9.280 8.463 0.817 25476 2447 1 4 . 1 1 84 84 VAL N N 84 125.990 125.990 122.829 3.161 25476 2448 1 4 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.518 0.012 25476 2449 1 4 . 1 1 84 84 VAL C C 84 175.440 175.440 175.312 0.128 25476 2450 1 4 . 1 1 84 84 VAL CA C 84 64.280 64.280 62.184 2.096 25476 2451 1 4 . 1 1 84 84 VAL CB C 84 31.630 31.630 32.108 -0.478 25476 2452 1 4 . 1 1 84 84 VAL H H 84 9.100 9.100 8.362 0.738 25476 2453 1 4 . 1 1 85 85 VAL N N 85 124.640 124.640 122.584 2.056 25476 2454 1 4 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.797 0.173 25476 2455 1 4 . 1 1 85 85 VAL CA C 85 58.050 58.050 59.131 -1.081 25476 2456 1 4 . 1 1 85 85 VAL CB C 85 35.190 35.190 33.645 1.545 25476 2457 1 4 . 1 1 85 85 VAL H H 85 7.430 7.430 8.363 -0.933 25476 2458 1 4 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.508 -0.028 25476 2459 1 4 . 1 1 86 86 PRO C C 86 175.970 175.970 175.662 0.308 25476 2460 1 4 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.767 0.153 25476 2461 1 4 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.206 -0.276 25476 2462 1 4 . 1 1 87 87 ILE N N 87 123.980 123.980 121.056 2.924 25476 2463 1 4 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.365 0.555 25476 2464 1 4 . 1 1 87 87 ILE C C 87 175.510 175.510 175.974 -0.464 25476 2465 1 4 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.803 0.317 25476 2466 1 4 . 1 1 87 87 ILE CB C 87 37.550 37.550 38.269 -0.719 25476 2467 1 4 . 1 1 87 87 ILE H H 87 8.500 8.500 8.002 0.498 25476 2468 1 4 . 1 1 88 88 ASN N N 88 119.050 119.050 123.655 -4.605 25476 2469 1 4 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.561 -0.201 25476 2470 1 4 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.999 -0.789 25476 2471 1 4 . 1 1 88 88 ASN CB C 88 37.740 37.740 38.878 -1.138 25476 2472 1 4 . 1 1 88 88 ASN H H 88 8.390 8.390 7.908 0.482 25476 2473 1 4 . 1 1 90 90 THR HA H 90 3.800 3.800 3.940 -0.140 25476 2474 1 4 . 1 1 90 90 THR C C 90 175.860 175.860 176.063 -0.203 25476 2475 1 4 . 1 1 90 90 THR CA C 90 66.300 66.300 66.754 -0.454 25476 2476 1 4 . 1 1 90 90 THR CB C 90 68.380 68.380 68.782 -0.402 25476 2477 1 4 . 1 1 91 91 GLU N N 91 120.430 120.430 119.897 0.533 25476 2478 1 4 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.088 0.022 25476 2479 1 4 . 1 1 91 91 GLU C C 91 179.320 179.320 178.953 0.367 25476 2480 1 4 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.066 0.394 25476 2481 1 4 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.882 0.158 25476 2482 1 4 . 1 1 91 91 GLU H H 91 9.440 9.440 8.738 0.702 25476 2483 1 4 . 1 1 92 92 VAL N N 92 119.810 119.810 120.237 -0.427 25476 2484 1 4 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.907 -0.287 25476 2485 1 4 . 1 1 92 92 VAL C C 92 177.270 177.270 178.055 -0.785 25476 2486 1 4 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.763 0.187 25476 2487 1 4 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.730 -0.250 25476 2488 1 4 . 1 1 92 92 VAL H H 92 7.010 7.010 7.709 -0.699 25476 2489 1 4 . 1 1 93 93 VAL N N 93 120.570 120.570 120.996 -0.426 25476 2490 1 4 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.567 -0.277 25476 2491 1 4 . 1 1 93 93 VAL C C 93 177.970 177.970 178.166 -0.196 25476 2492 1 4 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.299 1.051 25476 2493 1 4 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.146 0.314 25476 2494 1 4 . 1 1 93 93 VAL H H 93 7.720 7.720 7.560 0.160 25476 2495 1 4 . 1 1 94 94 GLU N N 94 118.100 118.100 118.491 -0.391 25476 2496 1 4 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.019 0.091 25476 2497 1 4 . 1 1 94 94 GLU C C 94 179.420 179.420 179.134 0.286 25476 2498 1 4 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.895 -0.245 25476 2499 1 4 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.181 0.209 25476 2500 1 4 . 1 1 94 94 GLU H H 94 8.320 8.320 8.433 -0.113 25476 2501 1 4 . 1 1 95 95 ARG N N 95 120.330 120.330 120.818 -0.488 25476 2502 1 4 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.231 0.139 25476 2503 1 4 . 1 1 95 95 ARG C C 95 179.510 179.510 178.832 0.678 25476 2504 1 4 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.588 -1.048 25476 2505 1 4 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.623 -0.003 25476 2506 1 4 . 1 1 95 95 ARG H H 95 7.350 7.350 7.866 -0.516 25476 2507 1 4 . 1 1 96 96 LEU N N 96 124.600 124.600 119.901 4.699 25476 2508 1 4 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.500 -0.670 25476 2509 1 4 . 1 1 96 96 LEU C C 96 177.600 177.600 179.580 -1.980 25476 2510 1 4 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.445 1.845 25476 2511 1 4 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.140 -1.540 25476 2512 1 4 . 1 1 96 96 LEU H H 96 8.600 8.600 7.941 0.659 25476 2513 1 4 . 1 1 97 97 GLU N N 97 118.190 118.190 120.805 -2.615 25476 2514 1 4 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.094 -0.354 25476 2515 1 4 . 1 1 97 97 GLU C C 97 177.630 177.630 178.697 -1.067 25476 2516 1 4 . 1 1 97 97 GLU CA C 97 60.440 60.440 60.027 0.413 25476 2517 1 4 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.633 -1.413 25476 2518 1 4 . 1 1 97 97 GLU H H 97 8.540 8.540 8.520 0.020 25476 2519 1 4 . 1 1 98 98 TYR N N 98 119.160 119.160 119.753 -0.593 25476 2520 1 4 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.187 -0.117 25476 2521 1 4 . 1 1 98 98 TYR C C 98 179.010 179.010 177.652 1.358 25476 2522 1 4 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.986 0.134 25476 2523 1 4 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.678 0.112 25476 2524 1 4 . 1 1 98 98 TYR H H 98 8.380 8.380 8.143 0.237 25476 2525 1 4 . 1 1 99 99 THR N N 99 109.220 109.220 114.236 -5.016 25476 2526 1 4 . 1 1 99 99 THR HA H 99 4.310 4.310 4.088 0.222 25476 2527 1 4 . 1 1 99 99 THR C C 99 178.320 178.320 176.975 1.345 25476 2528 1 4 . 1 1 99 99 THR CA C 99 64.890 64.890 65.987 -1.097 25476 2529 1 4 . 1 1 99 99 THR CB C 99 69.810 69.810 68.556 1.254 25476 2530 1 4 . 1 1 99 99 THR H H 99 8.480 8.480 8.126 0.354 25476 2531 1 4 . 1 1 100 100 LEU N N 100 128.250 128.250 122.790 5.460 25476 2532 1 4 . 1 1 100 100 LEU HA H 100 3.540 3.540 3.824 -0.284 25476 2533 1 4 . 1 1 100 100 LEU C C 100 177.870 177.870 178.252 -0.382 25476 2534 1 4 . 1 1 100 100 LEU CA C 100 58.200 58.200 57.703 0.497 25476 2535 1 4 . 1 1 100 100 LEU CB C 100 41.460 41.460 41.288 0.172 25476 2536 1 4 . 1 1 100 100 LEU H H 100 8.200 8.200 7.929 0.271 25476 2537 1 4 . 1 1 101 101 ARG N N 101 118.550 118.550 119.404 -0.854 25476 2538 1 4 . 1 1 101 101 ARG HA H 101 3.610 3.610 4.124 -0.514 25476 2539 1 4 . 1 1 101 101 ARG C C 101 178.930 178.930 179.037 -0.107 25476 2540 1 4 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.693 0.767 25476 2541 1 4 . 1 1 101 101 ARG CB C 101 29.290 29.290 30.379 -1.089 25476 2542 1 4 . 1 1 101 101 ARG H H 101 8.440 8.440 8.357 0.083 25476 2543 1 4 . 1 1 102 102 GLU N N 102 119.760 119.760 119.787 -0.027 25476 2544 1 4 . 1 1 102 102 GLU HA H 102 3.920 3.920 3.964 -0.044 25476 2545 1 4 . 1 1 102 102 GLU C C 102 178.360 178.360 178.373 -0.013 25476 2546 1 4 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.971 -0.021 25476 2547 1 4 . 1 1 102 102 GLU CB C 102 30.020 30.020 28.272 1.748 25476 2548 1 4 . 1 1 102 102 GLU H H 102 7.970 7.970 8.603 -0.633 25476 2549 1 4 . 1 1 103 103 PHE N N 103 119.570 119.570 120.976 -1.406 25476 2550 1 4 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.211 -0.291 25476 2551 1 4 . 1 1 103 103 PHE C C 103 175.350 175.350 176.878 -1.528 25476 2552 1 4 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.315 -0.515 25476 2553 1 4 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.758 -0.218 25476 2554 1 4 . 1 1 103 103 PHE H H 103 7.630 7.630 7.709 -0.079 25476 2555 1 4 . 1 1 104 104 HIS N N 104 119.160 119.160 119.634 -0.474 25476 2556 1 4 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.444 -1.414 25476 2557 1 4 . 1 1 104 104 HIS C C 104 175.460 175.460 177.572 -2.112 25476 2558 1 4 . 1 1 104 104 HIS CA C 104 60.710 60.710 60.544 0.166 25476 2559 1 4 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.865 1.865 25476 2560 1 4 . 1 1 104 104 HIS H H 104 8.800 8.800 8.250 0.550 25476 2561 1 4 . 1 1 105 105 GLU N N 105 117.900 117.900 118.796 -0.896 25476 2562 1 4 . 1 1 105 105 GLU HA H 105 3.440 3.440 4.064 -0.624 25476 2563 1 4 . 1 1 105 105 GLU C C 105 177.990 177.990 178.459 -0.469 25476 2564 1 4 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.274 0.336 25476 2565 1 4 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.708 -0.408 25476 2566 1 4 . 1 1 105 105 GLU H H 105 7.890 7.890 7.712 0.178 25476 2567 1 4 . 1 1 106 106 LYS N N 106 117.260 117.260 119.557 -2.297 25476 2568 1 4 . 1 1 106 106 LYS HA H 106 3.970 3.970 3.981 -0.011 25476 2569 1 4 . 1 1 106 106 LYS C C 106 179.570 179.570 178.816 0.754 25476 2570 1 4 . 1 1 106 106 LYS CA C 106 58.710 58.710 59.013 -0.303 25476 2571 1 4 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.090 0.690 25476 2572 1 4 . 1 1 106 106 LYS H H 106 6.870 6.870 7.561 -0.691 25476 2573 1 4 . 1 1 107 107 LEU N N 107 123.180 123.180 120.797 2.383 25476 2574 1 4 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.960 -0.510 25476 2575 1 4 . 1 1 107 107 LEU C C 107 177.170 177.170 178.073 -0.903 25476 2576 1 4 . 1 1 107 107 LEU CA C 107 57.340 57.340 56.583 0.757 25476 2577 1 4 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.947 0.293 25476 2578 1 4 . 1 1 107 107 LEU H H 107 8.020 8.020 8.107 -0.087 25476 2579 1 4 . 1 1 108 108 ARG N N 108 120.070 120.070 119.707 0.363 25476 2580 1 4 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.688 -0.278 25476 2581 1 4 . 1 1 108 108 ARG C C 108 178.460 178.460 177.915 0.545 25476 2582 1 4 . 1 1 108 108 ARG CA C 108 59.640 59.640 59.808 -0.168 25476 2583 1 4 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.564 -0.354 25476 2584 1 4 . 1 1 108 108 ARG H H 108 8.680 8.680 7.414 1.266 25476 2585 1 4 . 1 1 109 109 ASP N N 109 119.480 119.480 119.358 0.122 25476 2586 1 4 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.273 0.037 25476 2587 1 4 . 1 1 109 109 ASP C C 109 178.900 178.900 178.322 0.578 25476 2588 1 4 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.260 -0.120 25476 2589 1 4 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.882 -1.012 25476 2590 1 4 . 1 1 109 109 ASP H H 109 7.890 7.890 7.446 0.444 25476 2591 1 4 . 1 1 110 110 LEU N N 110 122.740 122.740 121.301 1.439 25476 2592 1 4 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.898 0.202 25476 2593 1 4 . 1 1 110 110 LEU C C 110 179.830 179.830 178.436 1.394 25476 2594 1 4 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.681 -0.001 25476 2595 1 4 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.951 -0.661 25476 2596 1 4 . 1 1 110 110 LEU H H 110 7.650 7.650 7.295 0.355 25476 2597 1 4 . 1 1 111 111 LEU N N 111 122.170 122.170 118.508 3.662 25476 2598 1 4 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.809 0.021 25476 2599 1 4 . 1 1 111 111 LEU C C 111 179.990 179.990 179.715 0.275 25476 2600 1 4 . 1 1 111 111 LEU CA C 111 58.610 58.610 57.705 0.905 25476 2601 1 4 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.485 -2.105 25476 2602 1 4 . 1 1 111 111 LEU H H 111 8.320 8.320 7.824 0.496 25476 2603 1 4 . 1 1 112 112 ILE N N 112 122.490 122.490 117.684 4.806 25476 2604 1 4 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.636 0.334 25476 2605 1 4 . 1 1 112 112 ILE C C 112 180.930 180.930 177.926 3.004 25476 2606 1 4 . 1 1 112 112 ILE CA C 112 64.660 64.660 64.938 -0.277 25476 2607 1 4 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.758 -0.438 25476 2608 1 4 . 1 1 112 112 ILE H H 112 8.790 8.790 8.201 0.589 25476 2609 1 4 . 1 1 113 113 SER N N 113 119.860 119.860 115.774 4.086 25476 2610 1 4 . 1 1 113 113 SER HA H 113 4.400 4.400 4.209 0.191 25476 2611 1 4 . 1 1 113 113 SER C C 113 174.520 174.520 175.714 -1.194 25476 2612 1 4 . 1 1 113 113 SER CA C 113 61.390 61.390 61.096 0.294 25476 2613 1 4 . 1 1 113 113 SER CB C 113 62.630 62.630 63.219 -0.589 25476 2614 1 4 . 1 1 113 113 SER H H 113 7.720 7.720 7.711 0.009 25476 2615 1 4 . 1 1 114 114 MET N N 114 121.890 121.890 118.633 3.257 25476 2616 1 4 . 1 1 114 114 MET HA H 114 4.530 4.530 4.547 -0.017 25476 2617 1 4 . 1 1 114 114 MET C C 114 173.850 173.850 174.953 -1.103 25476 2618 1 4 . 1 1 114 114 MET CA C 114 55.330 55.330 55.293 0.037 25476 2619 1 4 . 1 1 114 114 MET CB C 114 34.040 34.040 33.912 0.128 25476 2620 1 4 . 1 1 114 114 MET H H 114 7.480 7.480 7.323 0.157 25476 2621 1 4 . 1 1 115 115 GLU N N 115 114.160 114.160 115.893 -1.733 25476 2622 1 4 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.913 -0.013 25476 2623 1 4 . 1 1 115 115 GLU C C 115 174.880 174.880 175.371 -0.491 25476 2624 1 4 . 1 1 115 115 GLU CA C 115 57.270 57.270 56.843 0.427 25476 2625 1 4 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.052 -0.542 25476 2626 1 4 . 1 1 115 115 GLU H H 115 8.110 8.110 7.567 0.543 25476 2627 1 4 . 1 1 116 116 LEU N N 116 119.870 119.870 120.204 -0.334 25476 2628 1 4 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.562 0.098 25476 2629 1 4 . 1 1 116 116 LEU C C 116 174.910 174.910 176.291 -1.381 25476 2630 1 4 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.570 -0.470 25476 2631 1 4 . 1 1 116 116 LEU CB C 116 45.570 45.570 43.023 2.547 25476 2632 1 4 . 1 1 116 116 LEU H H 116 7.970 7.970 7.953 0.017 25476 2633 1 4 . 1 1 117 117 ALA N N 117 123.730 123.730 125.169 -1.439 25476 2634 1 4 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.502 -0.052 25476 2635 1 4 . 1 1 117 117 ALA C C 117 174.870 174.870 175.794 -0.924 25476 2636 1 4 . 1 1 117 117 ALA CA C 117 50.870 50.870 51.003 -0.133 25476 2637 1 4 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.488 0.212 25476 2638 1 4 . 1 1 117 117 ALA H H 117 7.530 7.530 8.211 -0.681 25476 2639 1 4 . 1 1 118 118 LEU N N 118 121.610 121.610 121.111 0.499 25476 2640 1 4 . 1 1 118 118 LEU HA H 118 5.480 5.480 4.922 0.558 25476 2641 1 4 . 1 1 118 118 LEU C C 118 175.560 175.560 176.524 -0.964 25476 2642 1 4 . 1 1 118 118 LEU CA C 118 53.840 53.840 53.993 -0.153 25476 2643 1 4 . 1 1 118 118 LEU CB C 118 43.490 43.490 43.932 -0.442 25476 2644 1 4 . 1 1 118 118 LEU H H 118 8.250 8.250 8.439 -0.189 25476 2645 1 4 . 1 1 119 119 GLU N N 119 127.300 127.300 123.457 3.843 25476 2646 1 4 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.884 0.236 25476 2647 1 4 . 1 1 119 119 GLU C C 119 171.510 171.510 173.667 -2.157 25476 2648 1 4 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.426 -0.456 25476 2649 1 4 . 1 1 119 119 GLU CB C 119 32.870 32.870 30.218 2.652 25476 2650 1 4 . 1 1 119 119 GLU H H 119 8.730 8.730 8.710 0.020 25476 2651 1 4 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.441 0.129 25476 2652 1 4 . 1 1 120 120 PRO C C 120 176.420 176.420 177.239 -0.819 25476 2653 1 4 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.532 -0.772 25476 2654 1 4 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.316 0.074 25476 2655 1 4 . 1 1 121 121 SER N N 121 117.040 117.040 114.547 2.493 25476 2656 1 4 . 1 1 121 121 SER HA H 121 4.060 4.060 4.615 -0.555 25476 2657 1 4 . 1 1 121 121 SER C C 121 175.150 175.150 175.548 -0.398 25476 2658 1 4 . 1 1 121 121 SER CA C 121 59.230 59.230 57.108 2.123 25476 2659 1 4 . 1 1 121 121 SER CB C 121 62.970 62.970 64.921 -1.952 25476 2660 1 4 . 1 1 121 121 SER H H 121 8.690 8.690 8.307 0.383 25476 2661 1 4 . 1 1 122 122 ASP N N 122 124.140 124.140 119.971 4.169 25476 2662 1 4 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.629 -0.259 25476 2663 1 4 . 1 1 122 122 ASP C C 122 176.240 176.240 176.309 -0.069 25476 2664 1 4 . 1 1 122 122 ASP CA C 122 57.100 57.100 55.556 1.544 25476 2665 1 4 . 1 1 122 122 ASP CB C 122 40.190 40.190 41.026 -0.837 25476 2666 1 4 . 1 1 122 122 ASP H H 122 8.830 8.830 8.808 0.022 25476 2667 1 4 . 1 1 123 123 ASP N N 123 115.720 115.720 118.165 -2.445 25476 2668 1 4 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.551 0.069 25476 2669 1 4 . 1 1 123 123 ASP C C 123 174.850 174.850 175.752 -0.902 25476 2670 1 4 . 1 1 123 123 ASP CA C 123 52.790 52.790 55.563 -2.773 25476 2671 1 4 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.988 -0.718 25476 2672 1 4 . 1 1 123 123 ASP H H 123 8.210 8.210 8.281 -0.071 25476 2673 1 4 . 1 1 124 124 PHE N N 124 122.440 122.440 120.396 2.044 25476 2674 1 4 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.468 0.562 25476 2675 1 4 . 1 1 124 124 PHE C C 124 174.040 174.040 175.104 -1.064 25476 2676 1 4 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.952 -1.912 25476 2677 1 4 . 1 1 124 124 PHE CB C 124 42.170 42.170 39.113 3.057 25476 2678 1 4 . 1 1 124 124 PHE H H 124 8.060 8.060 7.346 0.714 25476 2679 1 4 . 1 1 125 125 ASN N N 125 126.850 126.850 125.281 1.569 25476 2680 1 4 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.796 -0.056 25476 2681 1 4 . 1 1 125 125 ASN C C 125 175.070 175.070 174.517 0.553 25476 2682 1 4 . 1 1 125 125 ASN CA C 125 53.430 53.430 54.099 -0.669 25476 2683 1 4 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.728 0.002 25476 2684 1 4 . 1 1 125 125 ASN H H 125 7.700 7.700 8.618 -0.918 25476 2685 1 4 . 1 1 126 126 ASP N N 126 120.330 120.330 117.069 3.261 25476 2686 1 4 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.728 -0.598 25476 2687 1 4 . 1 1 126 126 ASP C C 126 176.280 176.280 174.710 1.570 25476 2688 1 4 . 1 1 126 126 ASP CA C 126 56.030 56.030 53.800 2.231 25476 2689 1 4 . 1 1 126 126 ASP CB C 126 39.100 39.100 41.703 -2.603 25476 2690 1 4 . 1 1 126 126 ASP H H 126 7.300 7.300 7.663 -0.363 25476 2691 1 4 . 1 1 127 127 GLU N N 127 127.840 127.840 120.572 7.268 25476 2692 1 4 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.211 0.149 25476 2693 1 4 . 1 1 127 127 GLU CA C 127 55.470 55.470 56.247 -0.777 25476 2694 1 4 . 1 1 127 127 GLU H H 127 8.320 8.320 8.432 -0.112 25476 2695 1 4 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.365 0.305 25476 2696 1 4 . 1 1 128 128 PRO C C 128 176.010 176.010 176.226 -0.216 25476 2697 1 4 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.601 1.029 25476 2698 1 4 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.557 -0.617 25476 2699 1 4 . 1 1 129 129 VAL N N 129 122.940 122.940 120.204 2.736 25476 2700 1 4 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.907 0.083 25476 2701 1 4 . 1 1 129 129 VAL C C 129 173.650 173.650 175.878 -2.228 25476 2702 1 4 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.857 -1.877 25476 2703 1 4 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.675 -0.545 25476 2704 1 4 . 1 1 129 129 VAL H H 129 7.990 7.990 8.389 -0.399 25476 2705 1 4 . 1 1 130 130 LYS N N 130 124.620 124.620 128.571 -3.951 25476 2706 1 4 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.136 0.374 25476 2707 1 4 . 1 1 130 130 LYS C C 130 174.900 174.900 176.921 -2.021 25476 2708 1 4 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.636 -3.486 25476 2709 1 4 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.245 3.265 25476 2710 1 4 . 1 1 130 130 LYS H H 130 8.240 8.240 8.533 -0.293 25476 2711 1 4 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.315 -0.515 25476 2712 1 4 . 1 1 131 131 LEU C C 131 178.400 178.400 177.917 0.483 25476 2713 1 4 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.248 -0.198 25476 2714 1 4 . 1 1 131 131 LEU CB C 131 40.800 40.800 41.938 -1.138 25476 2715 1 4 . 1 1 132 132 SER N N 132 115.550 115.550 114.025 1.525 25476 2716 1 4 . 1 1 132 132 SER HA H 132 4.610 4.610 4.441 0.169 25476 2717 1 4 . 1 1 132 132 SER C C 132 172.970 172.970 174.406 -1.436 25476 2718 1 4 . 1 1 132 132 SER CA C 132 58.620 58.620 57.196 1.425 25476 2719 1 4 . 1 1 132 132 SER CB C 132 63.310 63.310 62.456 0.854 25476 2720 1 4 . 1 1 132 132 SER H H 132 9.070 9.070 7.971 1.099 25476 2721 1 5 . 1 1 2 2 THR N N 2 118.280 118.280 113.300 4.980 25476 2722 1 5 . 1 1 2 2 THR HA H 2 4.550 4.550 4.428 0.122 25476 2723 1 5 . 1 1 2 2 THR C C 2 174.150 174.150 175.070 -0.920 25476 2724 1 5 . 1 1 2 2 THR CA C 2 61.600 61.600 61.426 0.174 25476 2725 1 5 . 1 1 2 2 THR CB C 2 69.970 69.970 69.808 0.162 25476 2726 1 5 . 1 1 2 2 THR H H 2 8.470 8.470 7.938 0.532 25476 2727 1 5 . 1 1 3 3 LEU N N 3 125.130 125.130 121.286 3.844 25476 2728 1 5 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.479 0.181 25476 2729 1 5 . 1 1 3 3 LEU C C 3 176.690 176.690 178.076 -1.386 25476 2730 1 5 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.672 -0.132 25476 2731 1 5 . 1 1 3 3 LEU CB C 3 40.050 40.050 40.990 -0.940 25476 2732 1 5 . 1 1 3 3 LEU H H 3 8.580 8.580 8.090 0.490 25476 2733 1 5 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.376 -0.016 25476 2734 1 5 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.722 0.748 25476 2735 1 5 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.799 0.090 25476 2736 1 5 . 1 1 5 5 SER HA H 5 4.580 4.580 4.439 0.141 25476 2737 1 5 . 1 1 5 5 SER C C 5 175.510 175.510 175.502 0.008 25476 2738 1 5 . 1 1 5 5 SER CA C 5 59.410 59.410 58.659 0.751 25476 2739 1 5 . 1 1 5 5 SER CB C 5 63.110 63.110 63.122 -0.012 25476 2740 1 5 . 1 1 6 6 GLY N N 6 112.010 112.010 108.768 3.242 25476 2741 1 5 . 1 1 6 6 GLY C C 6 173.300 173.300 174.436 -1.136 25476 2742 1 5 . 1 1 6 6 GLY CA C 6 44.530 44.530 44.888 -0.358 25476 2743 1 5 . 1 1 6 6 GLY H H 6 8.620 8.620 7.633 0.987 25476 2744 1 5 . 1 1 7 7 HIS N N 7 119.440 119.440 121.376 -1.936 25476 2745 1 5 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.980 -0.300 25476 2746 1 5 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.420 2.920 25476 2747 1 5 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.936 0.094 25476 2748 1 5 . 1 1 7 7 HIS H H 7 7.170 7.170 8.060 -0.890 25476 2749 1 5 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.601 0.189 25476 2750 1 5 . 1 1 8 8 PRO C C 8 178.140 178.140 177.236 0.904 25476 2751 1 5 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.050 -0.200 25476 2752 1 5 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.717 -0.737 25476 2753 1 5 . 1 1 9 9 LYS N N 9 127.570 127.570 125.504 2.066 25476 2754 1 5 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.271 -0.101 25476 2755 1 5 . 1 1 9 9 LYS C C 9 178.050 178.050 178.546 -0.496 25476 2756 1 5 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.100 0.730 25476 2757 1 5 . 1 1 9 9 LYS H H 9 9.000 9.000 8.745 0.255 25476 2758 1 5 . 1 1 10 10 SER N N 10 113.610 113.610 116.001 -2.391 25476 2759 1 5 . 1 1 10 10 SER HA H 10 4.120 4.120 4.365 -0.245 25476 2760 1 5 . 1 1 10 10 SER C C 10 176.750 176.750 176.882 -0.132 25476 2761 1 5 . 1 1 10 10 SER CA C 10 61.050 61.050 61.195 -0.145 25476 2762 1 5 . 1 1 10 10 SER H H 10 9.170 9.170 8.541 0.629 25476 2763 1 5 . 1 1 11 11 ARG N N 11 122.220 122.220 121.342 0.878 25476 2764 1 5 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.210 -0.060 25476 2765 1 5 . 1 1 11 11 ARG C C 11 177.890 177.890 178.459 -0.569 25476 2766 1 5 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.180 0.100 25476 2767 1 5 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.788 0.222 25476 2768 1 5 . 1 1 11 11 ARG H H 11 7.100 7.100 8.094 -0.994 25476 2769 1 5 . 1 1 12 12 LEU N N 12 121.360 121.360 121.509 -0.149 25476 2770 1 5 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.823 -0.253 25476 2771 1 5 . 1 1 12 12 LEU C C 12 177.890 177.890 178.293 -0.403 25476 2772 1 5 . 1 1 12 12 LEU CA C 12 56.000 56.000 58.544 -2.544 25476 2773 1 5 . 1 1 12 12 LEU CB C 12 39.440 39.440 42.150 -2.710 25476 2774 1 5 . 1 1 12 12 LEU H H 12 7.220 7.220 7.776 -0.556 25476 2775 1 5 . 1 1 13 13 ILE N N 13 118.920 118.920 119.531 -0.611 25476 2776 1 5 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.708 0.062 25476 2777 1 5 . 1 1 13 13 ILE C C 13 179.060 179.060 178.606 0.454 25476 2778 1 5 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.876 0.254 25476 2779 1 5 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.792 -0.362 25476 2780 1 5 . 1 1 13 13 ILE H H 13 8.590 8.590 8.647 -0.057 25476 2781 1 5 . 1 1 14 14 LYS N N 14 121.950 121.950 118.092 3.858 25476 2782 1 5 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.138 -0.008 25476 2783 1 5 . 1 1 14 14 LYS C C 14 179.810 179.810 178.513 1.297 25476 2784 1 5 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.507 1.553 25476 2785 1 5 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.065 0.015 25476 2786 1 5 . 1 1 14 14 LYS H H 14 7.730 7.730 7.506 0.224 25476 2787 1 5 . 1 1 15 15 LYS N N 15 119.750 119.750 118.885 0.865 25476 2788 1 5 . 1 1 15 15 LYS HA H 15 4.120 4.120 4.020 0.100 25476 2789 1 5 . 1 1 15 15 LYS C C 15 179.700 179.700 179.352 0.348 25476 2790 1 5 . 1 1 15 15 LYS CA C 15 58.730 58.730 58.968 -0.238 25476 2791 1 5 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.417 -0.467 25476 2792 1 5 . 1 1 15 15 LYS H H 15 7.800 7.800 7.249 0.551 25476 2793 1 5 . 1 1 16 16 PHE N N 16 117.660 117.660 118.619 -0.959 25476 2794 1 5 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.254 0.506 25476 2795 1 5 . 1 1 16 16 PHE C C 16 180.960 180.960 178.119 2.841 25476 2796 1 5 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.667 -4.027 25476 2797 1 5 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.216 0.584 25476 2798 1 5 . 1 1 16 16 PHE H H 16 9.130 9.130 8.601 0.529 25476 2799 1 5 . 1 1 17 17 THR N N 17 120.130 120.130 116.539 3.591 25476 2800 1 5 . 1 1 17 17 THR HA H 17 4.370 4.370 4.093 0.277 25476 2801 1 5 . 1 1 17 17 THR C C 17 175.550 175.550 176.065 -0.515 25476 2802 1 5 . 1 1 17 17 THR CA C 17 66.840 66.840 66.050 0.790 25476 2803 1 5 . 1 1 17 17 THR CB C 17 68.920 68.920 68.323 0.597 25476 2804 1 5 . 1 1 17 17 THR H H 17 8.940 8.940 7.750 1.190 25476 2805 1 5 . 1 1 18 18 ALA N N 18 122.170 122.170 122.847 -0.677 25476 2806 1 5 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.272 0.108 25476 2807 1 5 . 1 1 18 18 ALA C C 18 178.110 178.110 177.576 0.534 25476 2808 1 5 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.338 0.052 25476 2809 1 5 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.454 -0.154 25476 2810 1 5 . 1 1 18 18 ALA H H 18 7.310 7.310 7.734 -0.424 25476 2811 1 5 . 1 1 19 19 LEU N N 19 116.080 116.080 116.418 -0.338 25476 2812 1 5 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.381 -0.011 25476 2813 1 5 . 1 1 19 19 LEU C C 19 176.620 176.620 176.199 0.421 25476 2814 1 5 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.007 2.623 25476 2815 1 5 . 1 1 19 19 LEU CB C 19 42.420 42.420 41.915 0.505 25476 2816 1 5 . 1 1 19 19 LEU H H 19 7.580 7.580 7.731 -0.151 25476 2817 1 5 . 1 1 20 20 GLY N N 20 103.280 103.280 106.715 -3.435 25476 2818 1 5 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.964 -0.904 25476 2819 1 5 . 1 1 20 20 GLY H H 20 7.650 7.650 7.319 0.331 25476 2820 1 5 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.240 0.630 25476 2821 1 5 . 1 1 21 21 PRO C C 21 174.850 174.850 176.540 -1.690 25476 2822 1 5 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.376 0.764 25476 2823 1 5 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.526 -3.626 25476 2824 1 5 . 1 1 22 22 TYR N N 22 120.690 120.690 117.958 2.732 25476 2825 1 5 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.390 0.790 25476 2826 1 5 . 1 1 22 22 TYR C C 22 176.340 176.340 176.771 -0.431 25476 2827 1 5 . 1 1 22 22 TYR CA C 22 57.780 57.780 58.834 -1.054 25476 2828 1 5 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.162 3.338 25476 2829 1 5 . 1 1 22 22 TYR H H 22 7.680 7.680 8.006 -0.326 25476 2830 1 5 . 1 1 23 23 ILE N N 23 119.130 119.130 123.562 -4.432 25476 2831 1 5 . 1 1 23 23 ILE HA H 23 4.120 4.120 3.987 0.133 25476 2832 1 5 . 1 1 23 23 ILE C C 23 174.210 174.210 176.428 -2.218 25476 2833 1 5 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.151 0.679 25476 2834 1 5 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.264 0.236 25476 2835 1 5 . 1 1 23 23 ILE H H 23 8.860 8.860 8.577 0.283 25476 2836 1 5 . 1 1 24 24 ARG N N 24 126.540 126.540 127.720 -1.180 25476 2837 1 5 . 1 1 24 24 ARG C C 24 177.290 177.290 177.193 0.097 25476 2838 1 5 . 1 1 24 24 ARG CA C 24 52.090 52.090 56.234 -4.144 25476 2839 1 5 . 1 1 24 24 ARG H H 24 8.100 8.100 8.666 -0.566 25476 2840 1 5 . 1 1 25 25 GLU N N 25 126.990 126.990 125.789 1.201 25476 2841 1 5 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.060 0.040 25476 2842 1 5 . 1 1 25 25 GLU C C 25 176.780 176.780 177.330 -0.550 25476 2843 1 5 . 1 1 25 25 GLU CA C 25 60.860 60.860 58.841 2.019 25476 2844 1 5 . 1 1 25 25 GLU CB C 25 29.650 29.650 29.940 -0.290 25476 2845 1 5 . 1 1 25 25 GLU H H 25 9.400 9.400 8.821 0.579 25476 2846 1 5 . 1 1 26 26 GLY N N 26 109.830 109.830 107.770 2.060 25476 2847 1 5 . 1 1 26 26 GLY C C 26 174.380 174.380 173.085 1.295 25476 2848 1 5 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.793 0.727 25476 2849 1 5 . 1 1 26 26 GLY H H 26 8.070 8.070 7.867 0.203 25476 2850 1 5 . 1 1 27 27 GLN N N 27 117.670 117.670 119.767 -2.097 25476 2851 1 5 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.514 -0.204 25476 2852 1 5 . 1 1 27 27 GLN C C 27 175.350 175.350 175.087 0.263 25476 2853 1 5 . 1 1 27 27 GLN CA C 27 55.320 55.320 55.351 -0.031 25476 2854 1 5 . 1 1 27 27 GLN CB C 27 29.340 29.340 29.521 -0.181 25476 2855 1 5 . 1 1 27 27 GLN H H 27 7.690 7.690 8.282 -0.592 25476 2856 1 5 . 1 1 28 28 CYS N N 28 119.770 119.770 119.203 0.567 25476 2857 1 5 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.071 0.469 25476 2858 1 5 . 1 1 28 28 CYS C C 28 173.480 173.480 174.639 -1.159 25476 2859 1 5 . 1 1 28 28 CYS CA C 28 58.810 58.810 59.551 -0.741 25476 2860 1 5 . 1 1 28 28 CYS CB C 28 27.070 27.070 27.097 -0.027 25476 2861 1 5 . 1 1 28 28 CYS H H 28 7.510 7.510 8.742 -1.232 25476 2862 1 5 . 1 1 29 29 GLU N N 29 124.370 124.370 116.381 7.989 25476 2863 1 5 . 1 1 29 29 GLU HA H 29 4.540 4.540 3.937 0.603 25476 2864 1 5 . 1 1 29 29 GLU C C 29 174.810 174.810 175.739 -0.929 25476 2865 1 5 . 1 1 29 29 GLU CA C 29 55.560 55.560 56.975 -1.415 25476 2866 1 5 . 1 1 29 29 GLU CB C 29 30.030 30.030 27.901 2.128 25476 2867 1 5 . 1 1 29 29 GLU H H 29 7.840 7.840 8.502 -0.662 25476 2868 1 5 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.673 -0.093 25476 2869 1 5 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.637 0.813 25476 2870 1 5 . 1 1 31 31 ASN CB C 31 39.200 39.200 38.602 0.598 25476 2871 1 5 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.605 0.905 25476 2872 1 5 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.376 0.674 25476 2873 1 5 . 1 1 32 32 ARG CB C 32 33.480 33.480 33.060 0.420 25476 2874 1 5 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.617 0.623 25476 2875 1 5 . 1 1 34 34 PHE C C 34 172.210 172.210 173.500 -1.290 25476 2876 1 5 . 1 1 34 34 PHE CA C 34 57.690 57.690 57.254 0.436 25476 2877 1 5 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.526 2.574 25476 2878 1 5 . 1 1 35 35 PHE N N 35 125.800 125.800 121.875 3.925 25476 2879 1 5 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.388 0.782 25476 2880 1 5 . 1 1 35 35 PHE C C 35 173.110 173.110 173.465 -0.355 25476 2881 1 5 . 1 1 35 35 PHE CA C 35 54.860 54.860 56.579 -1.719 25476 2882 1 5 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.834 0.416 25476 2883 1 5 . 1 1 35 35 PHE H H 35 8.660 8.660 7.480 1.180 25476 2884 1 5 . 1 1 36 36 ASP N N 36 120.960 120.960 121.007 -0.047 25476 2885 1 5 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.181 0.399 25476 2886 1 5 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.715 1.445 25476 2887 1 5 . 1 1 36 36 ASP CB C 36 41.030 41.030 40.519 0.511 25476 2888 1 5 . 1 1 36 36 ASP H H 36 9.370 9.370 8.296 1.074 25476 2889 1 5 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.513 -0.523 25476 2890 1 5 . 1 1 37 37 CYS C C 37 173.460 173.460 174.056 -0.596 25476 2891 1 5 . 1 1 37 37 CYS CA C 37 57.610 57.610 58.108 -0.498 25476 2892 1 5 . 1 1 37 37 CYS CB C 37 27.170 27.170 28.155 -0.985 25476 2893 1 5 . 1 1 38 38 LEU N N 38 131.890 131.890 126.764 5.126 25476 2894 1 5 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.644 -0.434 25476 2895 1 5 . 1 1 38 38 LEU C C 38 175.570 175.570 176.368 -0.798 25476 2896 1 5 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.217 -0.687 25476 2897 1 5 . 1 1 38 38 LEU CB C 38 37.270 37.270 40.498 -3.228 25476 2898 1 5 . 1 1 38 38 LEU H H 38 8.430 8.430 8.857 -0.427 25476 2899 1 5 . 1 1 39 39 ALA N N 39 127.100 127.100 129.186 -2.086 25476 2900 1 5 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.549 -0.209 25476 2901 1 5 . 1 1 39 39 ALA C C 39 178.500 178.500 177.236 1.264 25476 2902 1 5 . 1 1 39 39 ALA CA C 39 55.380 55.380 53.672 1.708 25476 2903 1 5 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.148 0.962 25476 2904 1 5 . 1 1 39 39 ALA H H 39 7.960 7.960 8.641 -0.681 25476 2905 1 5 . 1 1 40 40 VAL N N 40 116.260 116.260 118.850 -2.590 25476 2906 1 5 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.551 0.069 25476 2907 1 5 . 1 1 40 40 VAL C C 40 173.990 173.990 175.080 -1.090 25476 2908 1 5 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.372 0.568 25476 2909 1 5 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.486 0.994 25476 2910 1 5 . 1 1 40 40 VAL H H 40 8.590 8.590 8.057 0.533 25476 2911 1 5 . 1 1 41 41 CYS HA H 41 3.880 3.880 5.272 -1.392 25476 2912 1 5 . 1 1 41 41 CYS C C 41 174.640 174.640 176.705 -2.065 25476 2913 1 5 . 1 1 41 41 CYS CA C 41 59.280 59.280 58.069 1.211 25476 2914 1 5 . 1 1 41 41 CYS CB C 41 26.700 26.700 28.547 -1.847 25476 2915 1 5 . 1 1 42 42 VAL N N 42 131.320 131.320 120.029 11.291 25476 2916 1 5 . 1 1 42 42 VAL HA H 42 3.480 3.480 4.085 -0.605 25476 2917 1 5 . 1 1 42 42 VAL C C 42 176.270 176.270 176.043 0.227 25476 2918 1 5 . 1 1 42 42 VAL CA C 42 65.390 65.390 64.434 0.956 25476 2919 1 5 . 1 1 42 42 VAL CB C 42 31.840 31.840 32.032 -0.192 25476 2920 1 5 . 1 1 42 42 VAL H H 42 8.610 8.610 7.907 0.703 25476 2921 1 5 . 1 1 43 43 ASN N N 43 116.070 116.070 114.188 1.882 25476 2922 1 5 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.834 -0.044 25476 2923 1 5 . 1 1 43 43 ASN C C 43 175.160 175.160 173.436 1.724 25476 2924 1 5 . 1 1 43 43 ASN CA C 43 52.690 52.690 52.964 -0.274 25476 2925 1 5 . 1 1 43 43 ASN CB C 43 39.940 39.940 40.547 -0.607 25476 2926 1 5 . 1 1 43 43 ASN H H 43 7.280 7.280 7.995 -0.715 25476 2927 1 5 . 1 1 44 44 VAL N N 44 121.350 121.350 116.957 4.393 25476 2928 1 5 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.461 -0.341 25476 2929 1 5 . 1 1 44 44 VAL C C 44 175.460 175.460 175.395 0.065 25476 2930 1 5 . 1 1 44 44 VAL CA C 44 61.930 61.930 62.062 -0.132 25476 2931 1 5 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.450 -0.821 25476 2932 1 5 . 1 1 44 44 VAL H H 44 8.520 8.520 8.426 0.094 25476 2933 1 5 . 1 1 45 45 LYS N N 45 123.190 123.190 120.415 2.775 25476 2934 1 5 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.282 -0.072 25476 2935 1 5 . 1 1 45 45 LYS CA C 45 59.080 59.080 57.503 1.577 25476 2936 1 5 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.716 -0.216 25476 2937 1 5 . 1 1 45 45 LYS H H 45 8.100 8.100 8.066 0.034 25476 2938 1 5 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.396 -0.026 25476 2939 1 5 . 1 1 46 46 PRO C C 46 174.380 174.380 175.708 -1.328 25476 2940 1 5 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.463 0.597 25476 2941 1 5 . 1 1 46 46 PRO CB C 46 31.660 31.660 31.932 -0.272 25476 2942 1 5 . 1 1 47 47 ALA N N 47 124.500 124.500 121.470 3.030 25476 2943 1 5 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.301 0.169 25476 2944 1 5 . 1 1 47 47 ALA C C 47 176.130 176.130 177.873 -1.743 25476 2945 1 5 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.084 -0.344 25476 2946 1 5 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.430 -1.130 25476 2947 1 5 . 1 1 47 47 ALA H H 47 8.300 8.300 8.294 0.006 25476 2948 1 5 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.257 -0.447 25476 2949 1 5 . 1 1 48 48 PRO C C 48 178.270 178.270 177.844 0.426 25476 2950 1 5 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.777 1.373 25476 2951 1 5 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.178 -0.188 25476 2952 1 5 . 1 1 49 49 GLU N N 49 116.300 116.300 117.855 -1.555 25476 2953 1 5 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.148 0.142 25476 2954 1 5 . 1 1 49 49 GLU C C 49 176.550 176.550 176.754 -0.204 25476 2955 1 5 . 1 1 49 49 GLU CA C 49 58.120 58.120 57.953 0.167 25476 2956 1 5 . 1 1 49 49 GLU CB C 49 28.290 28.290 29.346 -1.056 25476 2957 1 5 . 1 1 49 49 GLU H H 49 9.390 9.390 8.700 0.690 25476 2958 1 5 . 1 1 50 50 LYS N N 50 120.030 120.030 116.491 3.539 25476 2959 1 5 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.363 0.097 25476 2960 1 5 . 1 1 50 50 LYS C C 50 175.070 175.070 176.916 -1.846 25476 2961 1 5 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.050 -0.380 25476 2962 1 5 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.206 0.963 25476 2963 1 5 . 1 1 50 50 LYS H H 50 8.350 8.350 7.296 1.054 25476 2964 1 5 . 1 1 51 51 ARG N N 51 119.720 119.720 122.084 -2.364 25476 2965 1 5 . 1 1 51 51 ARG HA H 51 4.300 4.300 3.910 0.390 25476 2966 1 5 . 1 1 51 51 ARG C C 51 174.530 174.530 174.815 -0.285 25476 2967 1 5 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.458 0.232 25476 2968 1 5 . 1 1 51 51 ARG CB C 51 32.000 32.000 30.293 1.707 25476 2969 1 5 . 1 1 51 51 ARG H H 51 7.220 7.220 7.241 -0.021 25476 2970 1 5 . 1 1 52 52 GLU N N 52 119.700 119.700 119.456 0.244 25476 2971 1 5 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.313 0.377 25476 2972 1 5 . 1 1 52 52 GLU C C 52 175.260 175.260 174.255 1.005 25476 2973 1 5 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.609 0.121 25476 2974 1 5 . 1 1 52 52 GLU H H 52 8.690 8.690 8.060 0.630 25476 2975 1 5 . 1 1 53 53 PHE N N 53 116.950 116.950 118.144 -1.194 25476 2976 1 5 . 1 1 53 53 PHE HA H 53 5.160 5.160 5.070 0.090 25476 2977 1 5 . 1 1 53 53 PHE C C 53 174.970 174.970 174.401 0.569 25476 2978 1 5 . 1 1 53 53 PHE CA C 53 56.960 56.960 56.503 0.457 25476 2979 1 5 . 1 1 53 53 PHE CB C 53 44.210 44.210 42.873 1.337 25476 2980 1 5 . 1 1 53 53 PHE H H 53 8.590 8.590 7.852 0.738 25476 2981 1 5 . 1 1 54 54 TRP N N 54 123.100 123.100 120.963 2.137 25476 2982 1 5 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.805 1.095 25476 2983 1 5 . 1 1 54 54 TRP C C 54 177.820 177.820 176.024 1.796 25476 2984 1 5 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.582 -1.342 25476 2985 1 5 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.646 1.224 25476 2986 1 5 . 1 1 54 54 TRP H H 54 9.520 9.520 9.160 0.360 25476 2987 1 5 . 1 1 55 55 GLY N N 55 110.840 110.840 109.320 1.520 25476 2988 1 5 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.019 2.221 25476 2989 1 5 . 1 1 55 55 GLY H H 55 9.550 9.550 8.391 1.159 25476 2990 1 5 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.498 0.712 25476 2991 1 5 . 1 1 57 57 TRP CA C 57 57.700 57.700 55.453 2.247 25476 2992 1 5 . 1 1 58 58 MET N N 58 122.630 122.630 120.172 2.458 25476 2993 1 5 . 1 1 58 58 MET HA H 58 4.370 4.370 5.239 -0.869 25476 2994 1 5 . 1 1 58 58 MET CA C 58 55.230 55.230 54.903 0.327 25476 2995 1 5 . 1 1 58 58 MET CB C 58 35.910 35.910 35.077 0.833 25476 2996 1 5 . 1 1 58 58 MET H H 58 9.680 9.680 8.666 1.014 25476 2997 1 5 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.814 0.616 25476 2998 1 5 . 1 1 59 59 GLU C C 59 175.570 175.570 175.067 0.503 25476 2999 1 5 . 1 1 59 59 GLU CA C 59 54.260 54.260 55.084 -0.824 25476 3000 1 5 . 1 1 60 60 LEU N N 60 126.920 126.920 121.171 5.749 25476 3001 1 5 . 1 1 60 60 LEU HA H 60 6.060 6.060 5.009 1.051 25476 3002 1 5 . 1 1 60 60 LEU C C 60 176.470 176.470 175.479 0.991 25476 3003 1 5 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.483 -0.873 25476 3004 1 5 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.132 2.348 25476 3005 1 5 . 1 1 60 60 LEU H H 60 9.610 9.610 8.535 1.075 25476 3006 1 5 . 1 1 61 61 GLU N N 61 123.560 123.560 120.508 3.052 25476 3007 1 5 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.594 0.586 25476 3008 1 5 . 1 1 61 61 GLU C C 61 174.930 174.930 175.491 -0.561 25476 3009 1 5 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.824 0.226 25476 3010 1 5 . 1 1 61 61 GLU CB C 61 32.200 32.200 32.991 -0.791 25476 3011 1 5 . 1 1 61 61 GLU H H 61 9.070 9.070 7.799 1.271 25476 3012 1 5 . 1 1 62 62 ALA N N 62 129.830 129.830 129.430 0.400 25476 3013 1 5 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.545 -0.425 25476 3014 1 5 . 1 1 62 62 ALA C C 62 175.760 175.760 176.958 -1.198 25476 3015 1 5 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.890 -0.210 25476 3016 1 5 . 1 1 62 62 ALA CB C 62 21.330 21.330 19.230 2.100 25476 3017 1 5 . 1 1 62 62 ALA H H 62 9.030 9.030 8.535 0.495 25476 3018 1 5 . 1 1 63 63 GLN N N 63 122.550 122.550 123.686 -1.136 25476 3019 1 5 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.350 0.400 25476 3020 1 5 . 1 1 63 63 GLN C C 63 175.470 175.470 177.257 -1.787 25476 3021 1 5 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.913 -0.973 25476 3022 1 5 . 1 1 63 63 GLN CB C 63 29.650 29.650 30.764 -1.114 25476 3023 1 5 . 1 1 63 63 GLN H H 63 8.170 8.170 8.258 -0.088 25476 3024 1 5 . 1 1 64 64 GLU N N 64 120.760 120.760 119.107 1.653 25476 3025 1 5 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.033 -0.483 25476 3026 1 5 . 1 1 64 64 GLU C C 64 176.740 176.740 176.536 0.204 25476 3027 1 5 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.003 2.337 25476 3028 1 5 . 1 1 64 64 GLU CB C 64 29.620 29.620 30.015 -0.394 25476 3029 1 5 . 1 1 64 64 GLU H H 64 8.730 8.730 8.634 0.096 25476 3030 1 5 . 1 1 65 65 LYS N N 65 112.820 112.820 113.333 -0.513 25476 3031 1 5 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.423 0.207 25476 3032 1 5 . 1 1 65 65 LYS C C 65 175.960 175.960 174.959 1.001 25476 3033 1 5 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.729 -0.939 25476 3034 1 5 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.445 0.855 25476 3035 1 5 . 1 1 65 65 LYS H H 65 8.750 8.750 7.867 0.882 25476 3036 1 5 . 1 1 66 66 ARG N N 66 115.100 115.100 118.020 -2.920 25476 3037 1 5 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.584 0.716 25476 3038 1 5 . 1 1 66 66 ARG C C 66 172.980 172.980 173.518 -0.538 25476 3039 1 5 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.639 -2.109 25476 3040 1 5 . 1 1 66 66 ARG CB C 66 33.000 33.000 34.402 -1.402 25476 3041 1 5 . 1 1 66 66 ARG H H 66 7.520 7.520 7.798 -0.278 25476 3042 1 5 . 1 1 67 67 PHE N N 67 119.960 119.960 117.794 2.166 25476 3043 1 5 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.881 0.859 25476 3044 1 5 . 1 1 67 67 PHE C C 67 176.040 176.040 173.872 2.168 25476 3045 1 5 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.546 -1.426 25476 3046 1 5 . 1 1 67 67 PHE CB C 67 41.950 41.950 43.985 -2.035 25476 3047 1 5 . 1 1 67 67 PHE H H 67 9.220 9.220 8.701 0.519 25476 3048 1 5 . 1 1 68 68 THR N N 68 111.030 111.030 121.557 -10.527 25476 3049 1 5 . 1 1 68 68 THR HA H 68 6.310 6.310 5.004 1.306 25476 3050 1 5 . 1 1 68 68 THR C C 68 175.340 175.340 172.630 2.710 25476 3051 1 5 . 1 1 68 68 THR CA C 68 57.990 57.990 60.757 -2.767 25476 3052 1 5 . 1 1 68 68 THR CB C 68 70.260 70.260 71.015 -0.755 25476 3053 1 5 . 1 1 68 68 THR H H 68 9.200 9.200 8.390 0.810 25476 3054 1 5 . 1 1 69 69 TYR N N 69 115.700 115.700 124.475 -8.775 25476 3055 1 5 . 1 1 69 69 TYR HA H 69 6.090 6.090 5.102 0.988 25476 3056 1 5 . 1 1 69 69 TYR C C 69 173.310 173.310 173.090 0.220 25476 3057 1 5 . 1 1 69 69 TYR CA C 69 55.500 55.500 55.059 0.441 25476 3058 1 5 . 1 1 69 69 TYR CB C 69 44.600 44.600 40.591 4.009 25476 3059 1 5 . 1 1 69 69 TYR H H 69 8.190 8.190 8.419 -0.229 25476 3060 1 5 . 1 1 70 70 ARG N N 70 115.070 115.070 119.291 -4.221 25476 3061 1 5 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.422 1.088 25476 3062 1 5 . 1 1 70 70 ARG C C 70 175.220 175.220 174.360 0.860 25476 3063 1 5 . 1 1 70 70 ARG CA C 70 55.150 55.150 53.750 1.400 25476 3064 1 5 . 1 1 70 70 ARG CB C 70 32.780 32.780 34.263 -1.482 25476 3065 1 5 . 1 1 70 70 ARG H H 70 8.160 8.160 8.367 -0.207 25476 3066 1 5 . 1 1 71 71 TYR N N 71 118.750 118.750 119.857 -1.107 25476 3067 1 5 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.708 -0.588 25476 3068 1 5 . 1 1 71 71 TYR H H 71 9.220 9.220 7.805 1.415 25476 3069 1 5 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.764 -0.344 25476 3070 1 5 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.644 0.206 25476 3071 1 5 . 1 1 72 72 GLN CB C 72 30.990 30.990 33.716 -2.726 25476 3072 1 5 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.559 1.271 25476 3073 1 5 . 1 1 73 73 PHE C C 73 177.280 177.280 175.390 1.890 25476 3074 1 5 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.130 -3.450 25476 3075 1 5 . 1 1 73 73 PHE CB C 73 39.800 39.800 42.644 -2.844 25476 3076 1 5 . 1 1 74 74 GLY N N 74 108.520 108.520 108.963 -0.443 25476 3077 1 5 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.371 2.109 25476 3078 1 5 . 1 1 74 74 GLY H H 74 9.350 9.350 7.860 1.490 25476 3079 1 5 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.084 0.286 25476 3080 1 5 . 1 1 75 75 LEU C C 75 174.270 174.270 174.324 -0.054 25476 3081 1 5 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.427 -0.637 25476 3082 1 5 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.528 0.333 25476 3083 1 5 . 1 1 76 76 PHE N N 76 135.230 135.230 125.823 9.407 25476 3084 1 5 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.120 -0.780 25476 3085 1 5 . 1 1 76 76 PHE C C 76 174.690 174.690 173.663 1.027 25476 3086 1 5 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.402 0.498 25476 3087 1 5 . 1 1 76 76 PHE H H 76 9.840 9.840 8.298 1.542 25476 3088 1 5 . 1 1 77 77 ASP N N 77 125.580 125.580 127.212 -1.632 25476 3089 1 5 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.612 -0.282 25476 3090 1 5 . 1 1 77 77 ASP C C 77 178.310 178.310 176.913 1.397 25476 3091 1 5 . 1 1 77 77 ASP CA C 77 52.750 52.750 51.710 1.040 25476 3092 1 5 . 1 1 77 77 ASP CB C 77 42.460 42.460 44.207 -1.747 25476 3093 1 5 . 1 1 77 77 ASP H H 77 7.940 7.940 8.407 -0.467 25476 3094 1 5 . 1 1 78 78 LYS N N 78 116.610 116.610 119.908 -3.298 25476 3095 1 5 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.918 0.172 25476 3096 1 5 . 1 1 78 78 LYS C C 78 176.910 176.910 176.903 0.007 25476 3097 1 5 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.727 -1.147 25476 3098 1 5 . 1 1 78 78 LYS CB C 78 31.030 31.030 31.930 -0.900 25476 3099 1 5 . 1 1 78 78 LYS H H 78 9.030 9.030 8.499 0.531 25476 3100 1 5 . 1 1 79 79 GLU N N 79 120.510 120.510 117.137 3.373 25476 3101 1 5 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.207 0.053 25476 3102 1 5 . 1 1 79 79 GLU C C 79 176.160 176.160 177.196 -1.036 25476 3103 1 5 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.226 -0.896 25476 3104 1 5 . 1 1 79 79 GLU CB C 79 29.420 29.420 28.835 0.585 25476 3105 1 5 . 1 1 79 79 GLU H H 79 7.850 7.850 8.072 -0.222 25476 3106 1 5 . 1 1 80 80 GLY N N 80 109.610 109.610 109.076 0.534 25476 3107 1 5 . 1 1 80 80 GLY C C 80 172.820 172.820 173.635 -0.815 25476 3108 1 5 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.757 -0.377 25476 3109 1 5 . 1 1 80 80 GLY H H 80 7.800 7.800 7.533 0.267 25476 3110 1 5 . 1 1 81 81 ASN N N 81 117.680 117.680 118.681 -1.001 25476 3111 1 5 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.441 0.269 25476 3112 1 5 . 1 1 81 81 ASN C C 81 174.110 174.110 174.971 -0.861 25476 3113 1 5 . 1 1 81 81 ASN CA C 81 51.160 51.160 51.374 -0.214 25476 3114 1 5 . 1 1 81 81 ASN CB C 81 40.160 40.160 38.610 1.550 25476 3115 1 5 . 1 1 81 81 ASN H H 81 7.560 7.560 7.866 -0.306 25476 3116 1 5 . 1 1 82 82 TRP N N 82 122.870 122.870 124.859 -1.989 25476 3117 1 5 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.426 0.724 25476 3118 1 5 . 1 1 82 82 TRP C C 82 177.480 177.480 176.379 1.101 25476 3119 1 5 . 1 1 82 82 TRP CA C 82 57.260 57.260 56.798 0.462 25476 3120 1 5 . 1 1 82 82 TRP H H 82 8.480 8.480 8.063 0.417 25476 3121 1 5 . 1 1 83 83 THR N N 83 118.050 118.050 121.977 -3.927 25476 3122 1 5 . 1 1 83 83 THR HA H 83 4.820 4.820 4.860 -0.040 25476 3123 1 5 . 1 1 83 83 THR C C 83 173.630 173.630 173.949 -0.319 25476 3124 1 5 . 1 1 83 83 THR CA C 83 60.470 60.470 62.129 -1.659 25476 3125 1 5 . 1 1 83 83 THR CB C 83 72.050 72.050 70.968 1.082 25476 3126 1 5 . 1 1 83 83 THR H H 83 9.280 9.280 8.586 0.694 25476 3127 1 5 . 1 1 84 84 VAL N N 84 125.990 125.990 122.713 3.277 25476 3128 1 5 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.308 0.222 25476 3129 1 5 . 1 1 84 84 VAL C C 84 175.440 175.440 174.997 0.443 25476 3130 1 5 . 1 1 84 84 VAL CA C 84 64.280 64.280 62.516 1.764 25476 3131 1 5 . 1 1 84 84 VAL CB C 84 31.630 31.630 32.265 -0.635 25476 3132 1 5 . 1 1 84 84 VAL H H 84 9.100 9.100 8.639 0.461 25476 3133 1 5 . 1 1 85 85 VAL N N 85 124.640 124.640 121.012 3.628 25476 3134 1 5 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.740 0.230 25476 3135 1 5 . 1 1 85 85 VAL CA C 85 58.050 58.050 59.010 -0.960 25476 3136 1 5 . 1 1 85 85 VAL CB C 85 35.190 35.190 33.791 1.399 25476 3137 1 5 . 1 1 85 85 VAL H H 85 7.430 7.430 8.249 -0.819 25476 3138 1 5 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.517 -0.037 25476 3139 1 5 . 1 1 86 86 PRO C C 86 175.970 175.970 175.830 0.140 25476 3140 1 5 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.608 0.312 25476 3141 1 5 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.193 -0.263 25476 3142 1 5 . 1 1 87 87 ILE N N 87 123.980 123.980 121.494 2.486 25476 3143 1 5 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.293 0.627 25476 3144 1 5 . 1 1 87 87 ILE C C 87 175.510 175.510 175.072 0.438 25476 3145 1 5 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.803 0.317 25476 3146 1 5 . 1 1 87 87 ILE CB C 87 37.550 37.550 37.164 0.386 25476 3147 1 5 . 1 1 87 87 ILE H H 87 8.500 8.500 8.050 0.450 25476 3148 1 5 . 1 1 88 88 ASN N N 88 119.050 119.050 125.359 -6.309 25476 3149 1 5 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.743 -0.383 25476 3150 1 5 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.315 -0.105 25476 3151 1 5 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.497 -1.757 25476 3152 1 5 . 1 1 88 88 ASN H H 88 8.390 8.390 8.176 0.214 25476 3153 1 5 . 1 1 90 90 THR HA H 90 3.800 3.800 3.844 -0.044 25476 3154 1 5 . 1 1 90 90 THR C C 90 175.860 175.860 175.782 0.078 25476 3155 1 5 . 1 1 90 90 THR CA C 90 66.300 66.300 65.730 0.570 25476 3156 1 5 . 1 1 90 90 THR CB C 90 68.380 68.380 68.638 -0.258 25476 3157 1 5 . 1 1 91 91 GLU N N 91 120.430 120.430 119.667 0.763 25476 3158 1 5 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.060 0.050 25476 3159 1 5 . 1 1 91 91 GLU C C 91 179.320 179.320 178.775 0.545 25476 3160 1 5 . 1 1 91 91 GLU CA C 91 59.460 59.460 58.895 0.565 25476 3161 1 5 . 1 1 91 91 GLU CB C 91 29.040 29.040 29.036 0.004 25476 3162 1 5 . 1 1 91 91 GLU H H 91 9.440 9.440 8.628 0.812 25476 3163 1 5 . 1 1 92 92 VAL N N 92 119.810 119.810 119.861 -0.051 25476 3164 1 5 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.884 -0.264 25476 3165 1 5 . 1 1 92 92 VAL C C 92 177.270 177.270 177.866 -0.596 25476 3166 1 5 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.817 0.133 25476 3167 1 5 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.544 -0.064 25476 3168 1 5 . 1 1 92 92 VAL H H 92 7.010 7.010 7.832 -0.822 25476 3169 1 5 . 1 1 93 93 VAL N N 93 120.570 120.570 120.886 -0.316 25476 3170 1 5 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.558 -0.268 25476 3171 1 5 . 1 1 93 93 VAL C C 93 177.970 177.970 178.055 -0.085 25476 3172 1 5 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.311 1.039 25476 3173 1 5 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.224 0.236 25476 3174 1 5 . 1 1 93 93 VAL H H 93 7.720 7.720 7.394 0.326 25476 3175 1 5 . 1 1 94 94 GLU N N 94 118.100 118.100 118.395 -0.295 25476 3176 1 5 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.085 0.025 25476 3177 1 5 . 1 1 94 94 GLU C C 94 179.420 179.420 179.129 0.291 25476 3178 1 5 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.272 0.379 25476 3179 1 5 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.286 0.104 25476 3180 1 5 . 1 1 94 94 GLU H H 94 8.320 8.320 8.015 0.305 25476 3181 1 5 . 1 1 95 95 ARG N N 95 120.330 120.330 120.543 -0.213 25476 3182 1 5 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.252 0.118 25476 3183 1 5 . 1 1 95 95 ARG C C 95 179.510 179.510 178.738 0.772 25476 3184 1 5 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.409 -0.869 25476 3185 1 5 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.676 -0.056 25476 3186 1 5 . 1 1 95 95 ARG H H 95 7.350 7.350 7.773 -0.423 25476 3187 1 5 . 1 1 96 96 LEU N N 96 124.600 124.600 120.530 4.070 25476 3188 1 5 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.475 -0.645 25476 3189 1 5 . 1 1 96 96 LEU C C 96 177.600 177.600 179.697 -2.097 25476 3190 1 5 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.928 1.361 25476 3191 1 5 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.422 -1.822 25476 3192 1 5 . 1 1 96 96 LEU H H 96 8.600 8.600 8.030 0.570 25476 3193 1 5 . 1 1 97 97 GLU N N 97 118.190 118.190 119.342 -1.152 25476 3194 1 5 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.003 -0.263 25476 3195 1 5 . 1 1 97 97 GLU C C 97 177.630 177.630 178.971 -1.341 25476 3196 1 5 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.496 0.944 25476 3197 1 5 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.554 -1.334 25476 3198 1 5 . 1 1 97 97 GLU H H 97 8.540 8.540 8.017 0.523 25476 3199 1 5 . 1 1 98 98 TYR N N 98 119.160 119.160 120.152 -0.992 25476 3200 1 5 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.259 -0.189 25476 3201 1 5 . 1 1 98 98 TYR C C 98 179.010 179.010 177.159 1.851 25476 3202 1 5 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.682 0.438 25476 3203 1 5 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.728 0.062 25476 3204 1 5 . 1 1 98 98 TYR H H 98 8.380 8.380 7.869 0.511 25476 3205 1 5 . 1 1 99 99 THR N N 99 109.220 109.220 115.769 -6.549 25476 3206 1 5 . 1 1 99 99 THR HA H 99 4.310 4.310 4.077 0.233 25476 3207 1 5 . 1 1 99 99 THR C C 99 178.320 178.320 176.678 1.642 25476 3208 1 5 . 1 1 99 99 THR CA C 99 64.890 64.890 65.816 -0.926 25476 3209 1 5 . 1 1 99 99 THR CB C 99 69.810 69.810 68.390 1.420 25476 3210 1 5 . 1 1 99 99 THR H H 99 8.480 8.480 8.458 0.022 25476 3211 1 5 . 1 1 100 100 LEU N N 100 128.250 128.250 120.323 7.927 25476 3212 1 5 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.121 -0.581 25476 3213 1 5 . 1 1 100 100 LEU C C 100 177.870 177.870 178.428 -0.558 25476 3214 1 5 . 1 1 100 100 LEU CA C 100 58.200 58.200 58.040 0.160 25476 3215 1 5 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.564 0.896 25476 3216 1 5 . 1 1 100 100 LEU H H 100 8.200 8.200 7.759 0.441 25476 3217 1 5 . 1 1 101 101 ARG N N 101 118.550 118.550 118.535 0.015 25476 3218 1 5 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.956 -0.346 25476 3219 1 5 . 1 1 101 101 ARG C C 101 178.930 178.930 178.887 0.043 25476 3220 1 5 . 1 1 101 101 ARG CA C 101 60.460 60.460 58.854 1.606 25476 3221 1 5 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.716 -0.426 25476 3222 1 5 . 1 1 101 101 ARG H H 101 8.440 8.440 7.413 1.027 25476 3223 1 5 . 1 1 102 102 GLU N N 102 119.760 119.760 119.136 0.624 25476 3224 1 5 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.081 -0.161 25476 3225 1 5 . 1 1 102 102 GLU C C 102 178.360 178.360 178.869 -0.509 25476 3226 1 5 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.273 0.677 25476 3227 1 5 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.211 0.809 25476 3228 1 5 . 1 1 102 102 GLU H H 102 7.970 7.970 7.731 0.239 25476 3229 1 5 . 1 1 103 103 PHE N N 103 119.570 119.570 120.550 -0.980 25476 3230 1 5 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.075 -0.155 25476 3231 1 5 . 1 1 103 103 PHE C C 103 175.350 175.350 176.894 -1.544 25476 3232 1 5 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.859 -1.059 25476 3233 1 5 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.383 0.158 25476 3234 1 5 . 1 1 103 103 PHE H H 103 7.630 7.630 8.616 -0.986 25476 3235 1 5 . 1 1 104 104 HIS N N 104 119.160 119.160 118.482 0.678 25476 3236 1 5 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.161 -1.131 25476 3237 1 5 . 1 1 104 104 HIS C C 104 175.460 175.460 177.077 -1.617 25476 3238 1 5 . 1 1 104 104 HIS CA C 104 60.710 60.710 60.050 0.660 25476 3239 1 5 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.893 1.837 25476 3240 1 5 . 1 1 104 104 HIS H H 104 8.800 8.800 7.954 0.846 25476 3241 1 5 . 1 1 105 105 GLU N N 105 117.900 117.900 119.102 -1.202 25476 3242 1 5 . 1 1 105 105 GLU HA H 105 3.440 3.440 4.036 -0.596 25476 3243 1 5 . 1 1 105 105 GLU C C 105 177.990 177.990 178.724 -0.734 25476 3244 1 5 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.573 0.037 25476 3245 1 5 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.342 -0.042 25476 3246 1 5 . 1 1 105 105 GLU H H 105 7.890 7.890 7.721 0.169 25476 3247 1 5 . 1 1 106 106 LYS N N 106 117.260 117.260 118.274 -1.014 25476 3248 1 5 . 1 1 106 106 LYS HA H 106 3.970 3.970 4.027 -0.057 25476 3249 1 5 . 1 1 106 106 LYS C C 106 179.570 179.570 178.680 0.890 25476 3250 1 5 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.756 -0.046 25476 3251 1 5 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.075 0.705 25476 3252 1 5 . 1 1 106 106 LYS H H 106 6.870 6.870 7.372 -0.502 25476 3253 1 5 . 1 1 107 107 LEU N N 107 123.180 123.180 121.541 1.639 25476 3254 1 5 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.818 -0.368 25476 3255 1 5 . 1 1 107 107 LEU C C 107 177.170 177.170 178.509 -1.339 25476 3256 1 5 . 1 1 107 107 LEU CA C 107 57.340 57.340 57.153 0.187 25476 3257 1 5 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.726 0.514 25476 3258 1 5 . 1 1 107 107 LEU H H 107 8.020 8.020 7.697 0.323 25476 3259 1 5 . 1 1 108 108 ARG N N 108 120.070 120.070 119.554 0.516 25476 3260 1 5 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.668 -0.258 25476 3261 1 5 . 1 1 108 108 ARG C C 108 178.460 178.460 178.188 0.272 25476 3262 1 5 . 1 1 108 108 ARG CA C 108 59.640 59.640 60.438 -0.798 25476 3263 1 5 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.829 -0.619 25476 3264 1 5 . 1 1 108 108 ARG H H 108 8.680 8.680 7.753 0.927 25476 3265 1 5 . 1 1 109 109 ASP N N 109 119.480 119.480 119.274 0.206 25476 3266 1 5 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.276 0.034 25476 3267 1 5 . 1 1 109 109 ASP C C 109 178.900 178.900 178.473 0.427 25476 3268 1 5 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.288 -0.148 25476 3269 1 5 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.603 -0.733 25476 3270 1 5 . 1 1 109 109 ASP H H 109 7.890 7.890 7.564 0.326 25476 3271 1 5 . 1 1 110 110 LEU N N 110 122.740 122.740 120.697 2.043 25476 3272 1 5 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.874 0.226 25476 3273 1 5 . 1 1 110 110 LEU C C 110 179.830 179.830 178.490 1.340 25476 3274 1 5 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.998 -0.318 25476 3275 1 5 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.906 -0.616 25476 3276 1 5 . 1 1 110 110 LEU H H 110 7.650 7.650 7.371 0.279 25476 3277 1 5 . 1 1 111 111 LEU N N 111 122.170 122.170 118.737 3.433 25476 3278 1 5 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.727 0.103 25476 3279 1 5 . 1 1 111 111 LEU C C 111 179.990 179.990 178.937 1.053 25476 3280 1 5 . 1 1 111 111 LEU CA C 111 58.610 58.610 57.970 0.640 25476 3281 1 5 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.353 -1.973 25476 3282 1 5 . 1 1 111 111 LEU H H 111 8.320 8.320 7.823 0.497 25476 3283 1 5 . 1 1 112 112 ILE N N 112 122.490 122.490 118.745 3.745 25476 3284 1 5 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.618 0.352 25476 3285 1 5 . 1 1 112 112 ILE C C 112 180.930 180.930 177.868 3.062 25476 3286 1 5 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.117 -0.456 25476 3287 1 5 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.608 -0.287 25476 3288 1 5 . 1 1 112 112 ILE H H 112 8.790 8.790 8.134 0.656 25476 3289 1 5 . 1 1 113 113 SER N N 113 119.860 119.860 115.028 4.832 25476 3290 1 5 . 1 1 113 113 SER HA H 113 4.400 4.400 4.249 0.151 25476 3291 1 5 . 1 1 113 113 SER C C 113 174.520 174.520 175.684 -1.164 25476 3292 1 5 . 1 1 113 113 SER CA C 113 61.390 61.390 60.860 0.530 25476 3293 1 5 . 1 1 113 113 SER CB C 113 62.630 62.630 63.363 -0.733 25476 3294 1 5 . 1 1 113 113 SER H H 113 7.720 7.720 7.648 0.072 25476 3295 1 5 . 1 1 114 114 MET N N 114 121.890 121.890 115.734 6.156 25476 3296 1 5 . 1 1 114 114 MET HA H 114 4.530 4.530 4.611 -0.081 25476 3297 1 5 . 1 1 114 114 MET C C 114 173.850 173.850 175.698 -1.848 25476 3298 1 5 . 1 1 114 114 MET CA C 114 55.330 55.330 55.509 -0.179 25476 3299 1 5 . 1 1 114 114 MET CB C 114 34.040 34.040 33.457 0.583 25476 3300 1 5 . 1 1 114 114 MET H H 114 7.480 7.480 7.179 0.301 25476 3301 1 5 . 1 1 115 115 GLU N N 115 114.160 114.160 116.000 -1.840 25476 3302 1 5 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.929 -0.029 25476 3303 1 5 . 1 1 115 115 GLU C C 115 174.880 174.880 175.074 -0.194 25476 3304 1 5 . 1 1 115 115 GLU CA C 115 57.270 57.270 57.060 0.210 25476 3305 1 5 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.311 -0.801 25476 3306 1 5 . 1 1 115 115 GLU H H 115 8.110 8.110 7.826 0.284 25476 3307 1 5 . 1 1 116 116 LEU N N 116 119.870 119.870 120.752 -0.882 25476 3308 1 5 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.458 0.202 25476 3309 1 5 . 1 1 116 116 LEU C C 116 174.910 174.910 176.455 -1.545 25476 3310 1 5 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.342 -0.242 25476 3311 1 5 . 1 1 116 116 LEU CB C 116 45.570 45.570 41.438 4.132 25476 3312 1 5 . 1 1 116 116 LEU H H 116 7.970 7.970 7.999 -0.029 25476 3313 1 5 . 1 1 117 117 ALA N N 117 123.730 123.730 129.541 -5.811 25476 3314 1 5 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.261 0.189 25476 3315 1 5 . 1 1 117 117 ALA C C 117 174.870 174.870 175.906 -1.036 25476 3316 1 5 . 1 1 117 117 ALA CA C 117 50.870 50.870 52.244 -1.374 25476 3317 1 5 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.149 0.551 25476 3318 1 5 . 1 1 117 117 ALA H H 117 7.530 7.530 8.570 -1.040 25476 3319 1 5 . 1 1 118 118 LEU N N 118 121.610 121.610 121.090 0.520 25476 3320 1 5 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.713 -0.233 25476 3321 1 5 . 1 1 118 118 LEU C C 118 175.560 175.560 175.927 -0.367 25476 3322 1 5 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.119 -0.279 25476 3323 1 5 . 1 1 118 118 LEU CB C 118 43.490 43.490 45.477 -1.986 25476 3324 1 5 . 1 1 118 118 LEU H H 118 8.250 8.250 8.276 -0.026 25476 3325 1 5 . 1 1 119 119 GLU N N 119 127.300 127.300 124.241 3.059 25476 3326 1 5 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.930 0.190 25476 3327 1 5 . 1 1 119 119 GLU C C 119 171.510 171.510 174.134 -2.624 25476 3328 1 5 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.589 -0.619 25476 3329 1 5 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.842 0.028 25476 3330 1 5 . 1 1 119 119 GLU H H 119 8.730 8.730 8.518 0.212 25476 3331 1 5 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.415 0.155 25476 3332 1 5 . 1 1 120 120 PRO C C 120 176.420 176.420 176.467 -0.047 25476 3333 1 5 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.570 -0.810 25476 3334 1 5 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.531 -0.141 25476 3335 1 5 . 1 1 121 121 SER N N 121 117.040 117.040 114.091 2.949 25476 3336 1 5 . 1 1 121 121 SER HA H 121 4.060 4.060 4.434 -0.374 25476 3337 1 5 . 1 1 121 121 SER C C 121 175.150 175.150 175.887 -0.737 25476 3338 1 5 . 1 1 121 121 SER CA C 121 59.230 59.230 57.471 1.759 25476 3339 1 5 . 1 1 121 121 SER CB C 121 62.970 62.970 64.507 -1.537 25476 3340 1 5 . 1 1 121 121 SER H H 121 8.690 8.690 8.190 0.500 25476 3341 1 5 . 1 1 122 122 ASP N N 122 124.140 124.140 122.968 1.172 25476 3342 1 5 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.514 -0.144 25476 3343 1 5 . 1 1 122 122 ASP C C 122 176.240 176.240 176.215 0.025 25476 3344 1 5 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.123 0.977 25476 3345 1 5 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.975 -0.785 25476 3346 1 5 . 1 1 122 122 ASP H H 122 8.830 8.830 8.798 0.032 25476 3347 1 5 . 1 1 123 123 ASP N N 123 115.720 115.720 117.680 -1.960 25476 3348 1 5 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.663 -0.043 25476 3349 1 5 . 1 1 123 123 ASP C C 123 174.850 174.850 175.152 -0.302 25476 3350 1 5 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.915 -1.125 25476 3351 1 5 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.596 -0.326 25476 3352 1 5 . 1 1 123 123 ASP H H 123 8.210 8.210 8.259 -0.049 25476 3353 1 5 . 1 1 124 124 PHE N N 124 122.440 122.440 121.651 0.789 25476 3354 1 5 . 1 1 124 124 PHE HA H 124 5.030 5.030 5.010 0.020 25476 3355 1 5 . 1 1 124 124 PHE C C 124 174.040 174.040 175.362 -1.322 25476 3356 1 5 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.464 -1.423 25476 3357 1 5 . 1 1 124 124 PHE CB C 124 42.170 42.170 39.313 2.857 25476 3358 1 5 . 1 1 124 124 PHE H H 124 8.060 8.060 7.569 0.491 25476 3359 1 5 . 1 1 125 125 ASN N N 125 126.850 126.850 126.524 0.326 25476 3360 1 5 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.590 0.150 25476 3361 1 5 . 1 1 125 125 ASN C C 125 175.070 175.070 174.427 0.643 25476 3362 1 5 . 1 1 125 125 ASN CA C 125 53.430 53.430 52.208 1.222 25476 3363 1 5 . 1 1 125 125 ASN CB C 125 39.730 39.730 38.916 0.814 25476 3364 1 5 . 1 1 125 125 ASN H H 125 7.700 7.700 8.262 -0.562 25476 3365 1 5 . 1 1 126 126 ASP N N 126 120.330 120.330 119.324 1.006 25476 3366 1 5 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.461 -0.331 25476 3367 1 5 . 1 1 126 126 ASP C C 126 176.280 176.280 174.779 1.501 25476 3368 1 5 . 1 1 126 126 ASP CA C 126 56.030 56.030 54.750 1.280 25476 3369 1 5 . 1 1 126 126 ASP CB C 126 39.100 39.100 40.296 -1.196 25476 3370 1 5 . 1 1 126 126 ASP H H 126 7.300 7.300 8.387 -1.087 25476 3371 1 5 . 1 1 127 127 GLU N N 127 127.840 127.840 119.837 8.003 25476 3372 1 5 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.578 -0.218 25476 3373 1 5 . 1 1 127 127 GLU CA C 127 55.470 55.470 53.798 1.672 25476 3374 1 5 . 1 1 127 127 GLU H H 127 8.320 8.320 7.793 0.527 25476 3375 1 5 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.511 0.159 25476 3376 1 5 . 1 1 128 128 PRO C C 128 176.010 176.010 176.606 -0.596 25476 3377 1 5 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.661 0.969 25476 3378 1 5 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.679 -0.739 25476 3379 1 5 . 1 1 129 129 VAL N N 129 122.940 122.940 121.131 1.809 25476 3380 1 5 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.909 0.081 25476 3381 1 5 . 1 1 129 129 VAL C C 129 173.650 173.650 176.118 -2.468 25476 3382 1 5 . 1 1 129 129 VAL CA C 129 60.980 60.980 63.089 -2.109 25476 3383 1 5 . 1 1 129 129 VAL CB C 129 32.130 32.130 31.960 0.170 25476 3384 1 5 . 1 1 129 129 VAL H H 129 7.990 7.990 8.154 -0.164 25476 3385 1 5 . 1 1 130 130 LYS N N 130 124.620 124.620 127.761 -3.141 25476 3386 1 5 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.256 0.254 25476 3387 1 5 . 1 1 130 130 LYS C C 130 174.900 174.900 176.636 -1.736 25476 3388 1 5 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.006 -2.856 25476 3389 1 5 . 1 1 130 130 LYS CB C 130 34.510 34.510 32.001 2.509 25476 3390 1 5 . 1 1 130 130 LYS H H 130 8.240 8.240 8.679 -0.439 25476 3391 1 5 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.179 -0.379 25476 3392 1 5 . 1 1 131 131 LEU C C 131 178.400 178.400 178.060 0.340 25476 3393 1 5 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.741 -0.691 25476 3394 1 5 . 1 1 131 131 LEU CB C 131 40.800 40.800 41.903 -1.103 25476 3395 1 5 . 1 1 132 132 SER N N 132 115.550 115.550 114.283 1.267 25476 3396 1 5 . 1 1 132 132 SER HA H 132 4.610 4.610 4.487 0.123 25476 3397 1 5 . 1 1 132 132 SER C C 132 172.970 172.970 173.766 -0.796 25476 3398 1 5 . 1 1 132 132 SER CA C 132 58.620 58.620 57.336 1.284 25476 3399 1 5 . 1 1 132 132 SER CB C 132 63.310 63.310 61.661 1.649 25476 3400 1 5 . 1 1 132 132 SER H H 132 9.070 9.070 8.179 0.891 25476 3401 1 6 . 1 1 2 2 THR N N 2 118.280 118.280 115.716 2.564 25476 3402 1 6 . 1 1 2 2 THR HA H 2 4.550 4.550 4.581 -0.031 25476 3403 1 6 . 1 1 2 2 THR C C 2 174.150 174.150 174.566 -0.416 25476 3404 1 6 . 1 1 2 2 THR CA C 2 61.600 61.600 61.635 -0.035 25476 3405 1 6 . 1 1 2 2 THR CB C 2 69.970 69.970 69.703 0.267 25476 3406 1 6 . 1 1 2 2 THR H H 2 8.470 8.470 8.273 0.197 25476 3407 1 6 . 1 1 3 3 LEU N N 3 125.130 125.130 121.489 3.641 25476 3408 1 6 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.483 0.177 25476 3409 1 6 . 1 1 3 3 LEU C C 3 176.690 176.690 177.822 -1.132 25476 3410 1 6 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.907 -0.367 25476 3411 1 6 . 1 1 3 3 LEU CB C 3 40.050 40.050 40.866 -0.816 25476 3412 1 6 . 1 1 3 3 LEU H H 3 8.580 8.580 8.077 0.503 25476 3413 1 6 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.375 -0.015 25476 3414 1 6 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.830 0.640 25476 3415 1 6 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.853 0.037 25476 3416 1 6 . 1 1 5 5 SER HA H 5 4.580 4.580 4.441 0.139 25476 3417 1 6 . 1 1 5 5 SER C C 5 175.510 175.510 175.289 0.221 25476 3418 1 6 . 1 1 5 5 SER CA C 5 59.410 59.410 59.310 0.100 25476 3419 1 6 . 1 1 5 5 SER CB C 5 63.110 63.110 63.488 -0.378 25476 3420 1 6 . 1 1 6 6 GLY N N 6 112.010 112.010 107.642 4.368 25476 3421 1 6 . 1 1 6 6 GLY C C 6 173.300 173.300 173.834 -0.534 25476 3422 1 6 . 1 1 6 6 GLY CA C 6 44.530 44.530 45.156 -0.626 25476 3423 1 6 . 1 1 6 6 GLY H H 6 8.620 8.620 7.476 1.144 25476 3424 1 6 . 1 1 7 7 HIS N N 7 119.440 119.440 120.935 -1.495 25476 3425 1 6 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.997 -0.317 25476 3426 1 6 . 1 1 7 7 HIS CA C 7 56.340 56.340 52.567 3.773 25476 3427 1 6 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.622 0.408 25476 3428 1 6 . 1 1 7 7 HIS H H 7 7.170 7.170 8.011 -0.841 25476 3429 1 6 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.566 0.224 25476 3430 1 6 . 1 1 8 8 PRO C C 8 178.140 178.140 177.223 0.917 25476 3431 1 6 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.008 -0.159 25476 3432 1 6 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.729 -0.749 25476 3433 1 6 . 1 1 9 9 LYS N N 9 127.570 127.570 126.478 1.092 25476 3434 1 6 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.252 -0.082 25476 3435 1 6 . 1 1 9 9 LYS C C 9 178.050 178.050 178.538 -0.488 25476 3436 1 6 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.059 0.771 25476 3437 1 6 . 1 1 9 9 LYS H H 9 9.000 9.000 8.729 0.271 25476 3438 1 6 . 1 1 10 10 SER N N 10 113.610 113.610 115.156 -1.546 25476 3439 1 6 . 1 1 10 10 SER HA H 10 4.120 4.120 4.232 -0.112 25476 3440 1 6 . 1 1 10 10 SER C C 10 176.750 176.750 176.830 -0.080 25476 3441 1 6 . 1 1 10 10 SER CA C 10 61.050 61.050 61.411 -0.361 25476 3442 1 6 . 1 1 10 10 SER H H 10 9.170 9.170 8.636 0.534 25476 3443 1 6 . 1 1 11 11 ARG N N 11 122.220 122.220 121.583 0.637 25476 3444 1 6 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.206 -0.056 25476 3445 1 6 . 1 1 11 11 ARG C C 11 177.890 177.890 178.450 -0.560 25476 3446 1 6 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.341 -0.061 25476 3447 1 6 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.825 0.185 25476 3448 1 6 . 1 1 11 11 ARG H H 11 7.100 7.100 7.992 -0.892 25476 3449 1 6 . 1 1 12 12 LEU N N 12 121.360 121.360 121.616 -0.256 25476 3450 1 6 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.760 -0.190 25476 3451 1 6 . 1 1 12 12 LEU C C 12 177.890 177.890 178.697 -0.807 25476 3452 1 6 . 1 1 12 12 LEU CA C 12 56.000 56.000 58.193 -2.192 25476 3453 1 6 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.771 -2.331 25476 3454 1 6 . 1 1 12 12 LEU H H 12 7.220 7.220 7.974 -0.754 25476 3455 1 6 . 1 1 13 13 ILE N N 13 118.920 118.920 118.649 0.271 25476 3456 1 6 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.763 0.007 25476 3457 1 6 . 1 1 13 13 ILE C C 13 179.060 179.060 178.213 0.847 25476 3458 1 6 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.819 0.311 25476 3459 1 6 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.777 -0.347 25476 3460 1 6 . 1 1 13 13 ILE H H 13 8.590 8.590 8.820 -0.230 25476 3461 1 6 . 1 1 14 14 LYS N N 14 121.950 121.950 118.329 3.621 25476 3462 1 6 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.134 -0.004 25476 3463 1 6 . 1 1 14 14 LYS C C 14 179.810 179.810 178.868 0.942 25476 3464 1 6 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.589 1.472 25476 3465 1 6 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.081 -0.001 25476 3466 1 6 . 1 1 14 14 LYS H H 14 7.730 7.730 7.535 0.195 25476 3467 1 6 . 1 1 15 15 LYS N N 15 119.750 119.750 119.038 0.712 25476 3468 1 6 . 1 1 15 15 LYS HA H 15 4.120 4.120 4.026 0.094 25476 3469 1 6 . 1 1 15 15 LYS C C 15 179.700 179.700 179.463 0.237 25476 3470 1 6 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.109 -0.379 25476 3471 1 6 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.416 -0.466 25476 3472 1 6 . 1 1 15 15 LYS H H 15 7.800 7.800 7.433 0.367 25476 3473 1 6 . 1 1 16 16 PHE N N 16 117.660 117.660 118.900 -1.240 25476 3474 1 6 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.326 0.434 25476 3475 1 6 . 1 1 16 16 PHE C C 16 180.960 180.960 178.210 2.750 25476 3476 1 6 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.364 -3.724 25476 3477 1 6 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.321 0.479 25476 3478 1 6 . 1 1 16 16 PHE H H 16 9.130 9.130 8.562 0.568 25476 3479 1 6 . 1 1 17 17 THR N N 17 120.130 120.130 115.581 4.549 25476 3480 1 6 . 1 1 17 17 THR HA H 17 4.370 4.370 4.305 0.065 25476 3481 1 6 . 1 1 17 17 THR C C 17 175.550 175.550 176.237 -0.687 25476 3482 1 6 . 1 1 17 17 THR CA C 17 66.840 66.840 65.714 1.126 25476 3483 1 6 . 1 1 17 17 THR CB C 17 68.920 68.920 68.605 0.315 25476 3484 1 6 . 1 1 17 17 THR H H 17 8.940 8.940 7.780 1.160 25476 3485 1 6 . 1 1 18 18 ALA N N 18 122.170 122.170 122.987 -0.817 25476 3486 1 6 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.267 0.113 25476 3487 1 6 . 1 1 18 18 ALA C C 18 178.110 178.110 177.805 0.305 25476 3488 1 6 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.381 0.009 25476 3489 1 6 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.704 -0.405 25476 3490 1 6 . 1 1 18 18 ALA H H 18 7.310 7.310 7.724 -0.414 25476 3491 1 6 . 1 1 19 19 LEU N N 19 116.080 116.080 116.152 -0.072 25476 3492 1 6 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.428 -0.058 25476 3493 1 6 . 1 1 19 19 LEU C C 19 176.620 176.620 176.215 0.405 25476 3494 1 6 . 1 1 19 19 LEU CA C 19 56.630 56.630 53.974 2.656 25476 3495 1 6 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.027 0.393 25476 3496 1 6 . 1 1 19 19 LEU H H 19 7.580 7.580 7.748 -0.168 25476 3497 1 6 . 1 1 20 20 GLY N N 20 103.280 103.280 106.879 -3.599 25476 3498 1 6 . 1 1 20 20 GLY CA C 20 44.060 44.060 45.092 -1.032 25476 3499 1 6 . 1 1 20 20 GLY H H 20 7.650 7.650 7.402 0.248 25476 3500 1 6 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.474 0.396 25476 3501 1 6 . 1 1 21 21 PRO C C 21 174.850 174.850 176.416 -1.566 25476 3502 1 6 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.401 0.739 25476 3503 1 6 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.069 -3.169 25476 3504 1 6 . 1 1 22 22 TYR N N 22 120.690 120.690 116.007 4.683 25476 3505 1 6 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.498 0.682 25476 3506 1 6 . 1 1 22 22 TYR C C 22 176.340 176.340 175.712 0.628 25476 3507 1 6 . 1 1 22 22 TYR CA C 22 57.780 57.780 57.621 0.159 25476 3508 1 6 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.196 3.304 25476 3509 1 6 . 1 1 22 22 TYR H H 22 7.680 7.680 7.818 -0.138 25476 3510 1 6 . 1 1 23 23 ILE N N 23 119.130 119.130 121.734 -2.604 25476 3511 1 6 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.261 -0.141 25476 3512 1 6 . 1 1 23 23 ILE C C 23 174.210 174.210 176.509 -2.299 25476 3513 1 6 . 1 1 23 23 ILE CA C 23 61.830 61.830 60.020 1.810 25476 3514 1 6 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.981 -0.481 25476 3515 1 6 . 1 1 23 23 ILE H H 23 8.860 8.860 8.676 0.184 25476 3516 1 6 . 1 1 24 24 ARG N N 24 126.540 126.540 126.420 0.120 25476 3517 1 6 . 1 1 24 24 ARG C C 24 177.290 177.290 176.112 1.178 25476 3518 1 6 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.722 -3.632 25476 3519 1 6 . 1 1 24 24 ARG H H 24 8.100 8.100 8.929 -0.829 25476 3520 1 6 . 1 1 25 25 GLU N N 25 126.990 126.990 123.993 2.997 25476 3521 1 6 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.608 -0.508 25476 3522 1 6 . 1 1 25 25 GLU C C 25 176.780 176.780 176.164 0.616 25476 3523 1 6 . 1 1 25 25 GLU CA C 25 60.860 60.860 55.514 5.346 25476 3524 1 6 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.834 -1.184 25476 3525 1 6 . 1 1 25 25 GLU H H 25 9.400 9.400 7.924 1.476 25476 3526 1 6 . 1 1 26 26 GLY N N 26 109.830 109.830 108.164 1.666 25476 3527 1 6 . 1 1 26 26 GLY C C 26 174.380 174.380 172.998 1.382 25476 3528 1 6 . 1 1 26 26 GLY CA C 26 45.520 45.520 45.129 0.391 25476 3529 1 6 . 1 1 26 26 GLY H H 26 8.070 8.070 8.071 -0.001 25476 3530 1 6 . 1 1 27 27 GLN N N 27 117.670 117.670 119.582 -1.912 25476 3531 1 6 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.643 -0.333 25476 3532 1 6 . 1 1 27 27 GLN C C 27 175.350 175.350 175.801 -0.451 25476 3533 1 6 . 1 1 27 27 GLN CA C 27 55.320 55.320 55.147 0.173 25476 3534 1 6 . 1 1 27 27 GLN CB C 27 29.340 29.340 30.442 -1.102 25476 3535 1 6 . 1 1 27 27 GLN H H 27 7.690 7.690 8.509 -0.819 25476 3536 1 6 . 1 1 28 28 CYS N N 28 119.770 119.770 121.142 -1.372 25476 3537 1 6 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.147 0.393 25476 3538 1 6 . 1 1 28 28 CYS C C 28 173.480 173.480 175.382 -1.902 25476 3539 1 6 . 1 1 28 28 CYS CA C 28 58.810 58.810 59.733 -0.923 25476 3540 1 6 . 1 1 28 28 CYS CB C 28 27.070 27.070 27.072 -0.002 25476 3541 1 6 . 1 1 28 28 CYS H H 28 7.510 7.510 8.990 -1.480 25476 3542 1 6 . 1 1 29 29 GLU N N 29 124.370 124.370 120.345 4.025 25476 3543 1 6 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.228 0.312 25476 3544 1 6 . 1 1 29 29 GLU C C 29 174.810 174.810 176.240 -1.430 25476 3545 1 6 . 1 1 29 29 GLU CA C 29 55.560 55.560 57.461 -1.901 25476 3546 1 6 . 1 1 29 29 GLU CB C 29 30.030 30.030 30.412 -0.382 25476 3547 1 6 . 1 1 29 29 GLU H H 29 7.840 7.840 8.219 -0.379 25476 3548 1 6 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.614 -0.034 25476 3549 1 6 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.899 0.551 25476 3550 1 6 . 1 1 31 31 ASN CB C 31 39.200 39.200 38.766 0.434 25476 3551 1 6 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.531 0.979 25476 3552 1 6 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.419 0.631 25476 3553 1 6 . 1 1 32 32 ARG CB C 32 33.480 33.480 33.038 0.442 25476 3554 1 6 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.653 0.587 25476 3555 1 6 . 1 1 34 34 PHE C C 34 172.210 172.210 173.923 -1.713 25476 3556 1 6 . 1 1 34 34 PHE CA C 34 57.690 57.690 57.350 0.340 25476 3557 1 6 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.544 2.556 25476 3558 1 6 . 1 1 35 35 PHE N N 35 125.800 125.800 121.462 4.338 25476 3559 1 6 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.427 0.743 25476 3560 1 6 . 1 1 35 35 PHE C C 35 173.110 173.110 173.457 -0.347 25476 3561 1 6 . 1 1 35 35 PHE CA C 35 54.860 54.860 56.513 -1.653 25476 3562 1 6 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.900 0.350 25476 3563 1 6 . 1 1 35 35 PHE H H 35 8.660 8.660 7.568 1.092 25476 3564 1 6 . 1 1 36 36 ASP N N 36 120.960 120.960 123.720 -2.760 25476 3565 1 6 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.032 0.548 25476 3566 1 6 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.882 1.278 25476 3567 1 6 . 1 1 36 36 ASP CB C 36 41.030 41.030 40.921 0.109 25476 3568 1 6 . 1 1 36 36 ASP H H 36 9.370 9.370 8.525 0.845 25476 3569 1 6 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.276 -0.286 25476 3570 1 6 . 1 1 37 37 CYS C C 37 173.460 173.460 173.326 0.134 25476 3571 1 6 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.839 -0.229 25476 3572 1 6 . 1 1 37 37 CYS CB C 37 27.170 27.170 27.445 -0.275 25476 3573 1 6 . 1 1 38 38 LEU N N 38 131.890 131.890 126.920 4.970 25476 3574 1 6 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.822 -0.612 25476 3575 1 6 . 1 1 38 38 LEU C C 38 175.570 175.570 176.552 -0.982 25476 3576 1 6 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.197 -0.667 25476 3577 1 6 . 1 1 38 38 LEU CB C 38 37.270 37.270 42.324 -5.054 25476 3578 1 6 . 1 1 38 38 LEU H H 38 8.430 8.430 8.559 -0.129 25476 3579 1 6 . 1 1 39 39 ALA N N 39 127.100 127.100 131.039 -3.939 25476 3580 1 6 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.551 -0.211 25476 3581 1 6 . 1 1 39 39 ALA C C 39 178.500 178.500 176.862 1.638 25476 3582 1 6 . 1 1 39 39 ALA CA C 39 55.380 55.380 52.873 2.507 25476 3583 1 6 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.603 0.507 25476 3584 1 6 . 1 1 39 39 ALA H H 39 7.960 7.960 8.683 -0.723 25476 3585 1 6 . 1 1 40 40 VAL N N 40 116.260 116.260 114.232 2.028 25476 3586 1 6 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.686 -0.066 25476 3587 1 6 . 1 1 40 40 VAL C C 40 173.990 173.990 174.004 -0.014 25476 3588 1 6 . 1 1 40 40 VAL CA C 40 60.940 60.940 59.388 1.552 25476 3589 1 6 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.269 1.211 25476 3590 1 6 . 1 1 40 40 VAL H H 40 8.590 8.590 7.976 0.614 25476 3591 1 6 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.962 -1.082 25476 3592 1 6 . 1 1 41 41 CYS C C 41 174.640 174.640 175.356 -0.716 25476 3593 1 6 . 1 1 41 41 CYS CA C 41 59.280 59.280 57.237 2.042 25476 3594 1 6 . 1 1 41 41 CYS CB C 41 26.700 26.700 29.685 -2.985 25476 3595 1 6 . 1 1 42 42 VAL N N 42 131.320 131.320 122.550 8.770 25476 3596 1 6 . 1 1 42 42 VAL HA H 42 3.480 3.480 4.149 -0.669 25476 3597 1 6 . 1 1 42 42 VAL C C 42 176.270 176.270 175.673 0.597 25476 3598 1 6 . 1 1 42 42 VAL CA C 42 65.390 65.390 63.426 1.964 25476 3599 1 6 . 1 1 42 42 VAL CB C 42 31.840 31.840 32.117 -0.277 25476 3600 1 6 . 1 1 42 42 VAL H H 42 8.610 8.610 8.226 0.384 25476 3601 1 6 . 1 1 43 43 ASN N N 43 116.070 116.070 115.852 0.218 25476 3602 1 6 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.917 -0.127 25476 3603 1 6 . 1 1 43 43 ASN C C 43 175.160 175.160 173.400 1.760 25476 3604 1 6 . 1 1 43 43 ASN CA C 43 52.690 52.690 53.065 -0.375 25476 3605 1 6 . 1 1 43 43 ASN CB C 43 39.940 39.940 40.703 -0.763 25476 3606 1 6 . 1 1 43 43 ASN H H 43 7.280 7.280 7.634 -0.354 25476 3607 1 6 . 1 1 44 44 VAL N N 44 121.350 121.350 121.011 0.339 25476 3608 1 6 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.282 -0.162 25476 3609 1 6 . 1 1 44 44 VAL C C 44 175.460 175.460 176.217 -0.757 25476 3610 1 6 . 1 1 44 44 VAL CA C 44 61.930 61.930 61.523 0.407 25476 3611 1 6 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.238 -0.608 25476 3612 1 6 . 1 1 44 44 VAL H H 44 8.520 8.520 8.492 0.029 25476 3613 1 6 . 1 1 45 45 LYS N N 45 123.190 123.190 121.262 1.928 25476 3614 1 6 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.174 0.036 25476 3615 1 6 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.724 0.356 25476 3616 1 6 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.632 -0.132 25476 3617 1 6 . 1 1 45 45 LYS H H 45 8.100 8.100 8.420 -0.320 25476 3618 1 6 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.447 -0.077 25476 3619 1 6 . 1 1 46 46 PRO C C 46 174.380 174.380 175.958 -1.578 25476 3620 1 6 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.290 0.770 25476 3621 1 6 . 1 1 46 46 PRO CB C 46 31.660 31.660 32.174 -0.514 25476 3622 1 6 . 1 1 47 47 ALA N N 47 124.500 124.500 121.485 3.015 25476 3623 1 6 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.271 0.199 25476 3624 1 6 . 1 1 47 47 ALA C C 47 176.130 176.130 178.138 -2.008 25476 3625 1 6 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.718 -0.977 25476 3626 1 6 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.326 -1.026 25476 3627 1 6 . 1 1 47 47 ALA H H 47 8.300 8.300 8.456 -0.156 25476 3628 1 6 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.272 -0.462 25476 3629 1 6 . 1 1 48 48 PRO C C 48 178.270 178.270 178.270 0.000 25476 3630 1 6 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.828 1.323 25476 3631 1 6 . 1 1 48 48 PRO CB C 48 31.990 31.990 31.896 0.094 25476 3632 1 6 . 1 1 49 49 GLU N N 49 116.300 116.300 118.270 -1.970 25476 3633 1 6 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.105 0.185 25476 3634 1 6 . 1 1 49 49 GLU C C 49 176.550 176.550 177.123 -0.573 25476 3635 1 6 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.670 -0.550 25476 3636 1 6 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.522 -0.232 25476 3637 1 6 . 1 1 49 49 GLU H H 49 9.390 9.390 8.776 0.614 25476 3638 1 6 . 1 1 50 50 LYS N N 50 120.030 120.030 117.499 2.531 25476 3639 1 6 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.463 -0.003 25476 3640 1 6 . 1 1 50 50 LYS C C 50 175.070 175.070 176.387 -1.317 25476 3641 1 6 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.302 -0.632 25476 3642 1 6 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.621 0.549 25476 3643 1 6 . 1 1 50 50 LYS H H 50 8.350 8.350 7.293 1.057 25476 3644 1 6 . 1 1 51 51 ARG N N 51 119.720 119.720 121.783 -2.063 25476 3645 1 6 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.123 0.177 25476 3646 1 6 . 1 1 51 51 ARG C C 51 174.530 174.530 174.955 -0.425 25476 3647 1 6 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.836 -0.146 25476 3648 1 6 . 1 1 51 51 ARG CB C 51 32.000 32.000 31.194 0.806 25476 3649 1 6 . 1 1 51 51 ARG H H 51 7.220 7.220 7.381 -0.161 25476 3650 1 6 . 1 1 52 52 GLU N N 52 119.700 119.700 121.979 -2.279 25476 3651 1 6 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.292 0.398 25476 3652 1 6 . 1 1 52 52 GLU C C 52 175.260 175.260 174.704 0.556 25476 3653 1 6 . 1 1 52 52 GLU CA C 52 54.730 54.730 55.143 -0.413 25476 3654 1 6 . 1 1 52 52 GLU H H 52 8.690 8.690 8.223 0.467 25476 3655 1 6 . 1 1 53 53 PHE N N 53 116.950 116.950 119.225 -2.275 25476 3656 1 6 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.761 0.399 25476 3657 1 6 . 1 1 53 53 PHE C C 53 174.970 174.970 174.584 0.386 25476 3658 1 6 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.589 1.371 25476 3659 1 6 . 1 1 53 53 PHE CB C 53 44.210 44.210 42.042 2.168 25476 3660 1 6 . 1 1 53 53 PHE H H 53 8.590 8.590 7.932 0.658 25476 3661 1 6 . 1 1 54 54 TRP N N 54 123.100 123.100 119.950 3.150 25476 3662 1 6 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.781 1.119 25476 3663 1 6 . 1 1 54 54 TRP C C 54 177.820 177.820 176.289 1.531 25476 3664 1 6 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.235 -0.995 25476 3665 1 6 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.902 0.968 25476 3666 1 6 . 1 1 54 54 TRP H H 54 9.520 9.520 9.141 0.379 25476 3667 1 6 . 1 1 55 55 GLY N N 55 110.840 110.840 107.741 3.099 25476 3668 1 6 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.023 2.217 25476 3669 1 6 . 1 1 55 55 GLY H H 55 9.550 9.550 8.352 1.198 25476 3670 1 6 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.369 0.841 25476 3671 1 6 . 1 1 57 57 TRP CA C 57 57.700 57.700 56.947 0.753 25476 3672 1 6 . 1 1 58 58 MET N N 58 122.630 122.630 121.500 1.130 25476 3673 1 6 . 1 1 58 58 MET HA H 58 4.370 4.370 4.966 -0.596 25476 3674 1 6 . 1 1 58 58 MET CA C 58 55.230 55.230 54.360 0.870 25476 3675 1 6 . 1 1 58 58 MET CB C 58 35.910 35.910 34.497 1.413 25476 3676 1 6 . 1 1 58 58 MET H H 58 9.680 9.680 8.657 1.023 25476 3677 1 6 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.641 0.789 25476 3678 1 6 . 1 1 59 59 GLU C C 59 175.570 175.570 175.372 0.198 25476 3679 1 6 . 1 1 59 59 GLU CA C 59 54.260 54.260 55.352 -1.092 25476 3680 1 6 . 1 1 60 60 LEU N N 60 126.920 126.920 119.474 7.446 25476 3681 1 6 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.811 1.249 25476 3682 1 6 . 1 1 60 60 LEU C C 60 176.470 176.470 174.529 1.941 25476 3683 1 6 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.482 -0.872 25476 3684 1 6 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.319 2.161 25476 3685 1 6 . 1 1 60 60 LEU H H 60 9.610 9.610 8.202 1.408 25476 3686 1 6 . 1 1 61 61 GLU N N 61 123.560 123.560 121.140 2.420 25476 3687 1 6 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.428 0.752 25476 3688 1 6 . 1 1 61 61 GLU C C 61 174.930 174.930 174.961 -0.031 25476 3689 1 6 . 1 1 61 61 GLU CA C 61 55.050 55.050 55.033 0.017 25476 3690 1 6 . 1 1 61 61 GLU CB C 61 32.200 32.200 31.958 0.242 25476 3691 1 6 . 1 1 61 61 GLU H H 61 9.070 9.070 8.461 0.609 25476 3692 1 6 . 1 1 62 62 ALA N N 62 129.830 129.830 128.832 0.998 25476 3693 1 6 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.136 -0.016 25476 3694 1 6 . 1 1 62 62 ALA C C 62 175.760 175.760 176.719 -0.959 25476 3695 1 6 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.583 0.097 25476 3696 1 6 . 1 1 62 62 ALA CB C 62 21.330 21.330 19.075 2.255 25476 3697 1 6 . 1 1 62 62 ALA H H 62 9.030 9.030 8.402 0.628 25476 3698 1 6 . 1 1 63 63 GLN N N 63 122.550 122.550 123.207 -0.657 25476 3699 1 6 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.115 0.635 25476 3700 1 6 . 1 1 63 63 GLN C C 63 175.470 175.470 177.195 -1.725 25476 3701 1 6 . 1 1 63 63 GLN CA C 63 53.940 53.940 55.468 -1.528 25476 3702 1 6 . 1 1 63 63 GLN CB C 63 29.650 29.650 29.883 -0.233 25476 3703 1 6 . 1 1 63 63 GLN H H 63 8.170 8.170 7.957 0.213 25476 3704 1 6 . 1 1 64 64 GLU N N 64 120.760 120.760 119.638 1.122 25476 3705 1 6 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.015 -0.465 25476 3706 1 6 . 1 1 64 64 GLU C C 64 176.740 176.740 175.915 0.825 25476 3707 1 6 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.425 1.915 25476 3708 1 6 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.815 -0.195 25476 3709 1 6 . 1 1 64 64 GLU H H 64 8.730 8.730 8.684 0.046 25476 3710 1 6 . 1 1 65 65 LYS N N 65 112.820 112.820 113.240 -0.420 25476 3711 1 6 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.322 0.308 25476 3712 1 6 . 1 1 65 65 LYS C C 65 175.960 175.960 175.062 0.898 25476 3713 1 6 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.462 -0.671 25476 3714 1 6 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.251 1.050 25476 3715 1 6 . 1 1 65 65 LYS H H 65 8.750 8.750 8.225 0.525 25476 3716 1 6 . 1 1 66 66 ARG N N 66 115.100 115.100 118.635 -3.535 25476 3717 1 6 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.661 0.639 25476 3718 1 6 . 1 1 66 66 ARG C C 66 172.980 172.980 173.486 -0.506 25476 3719 1 6 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.461 -1.931 25476 3720 1 6 . 1 1 66 66 ARG CB C 66 33.000 33.000 33.997 -0.997 25476 3721 1 6 . 1 1 66 66 ARG H H 66 7.520 7.520 7.534 -0.014 25476 3722 1 6 . 1 1 67 67 PHE N N 67 119.960 119.960 117.293 2.667 25476 3723 1 6 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.852 0.888 25476 3724 1 6 . 1 1 67 67 PHE C C 67 176.040 176.040 174.648 1.392 25476 3725 1 6 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.395 -1.275 25476 3726 1 6 . 1 1 67 67 PHE CB C 67 41.950 41.950 44.026 -2.076 25476 3727 1 6 . 1 1 67 67 PHE H H 67 9.220 9.220 8.303 0.917 25476 3728 1 6 . 1 1 68 68 THR N N 68 111.030 111.030 116.034 -5.004 25476 3729 1 6 . 1 1 68 68 THR HA H 68 6.310 6.310 4.803 1.507 25476 3730 1 6 . 1 1 68 68 THR C C 68 175.340 175.340 172.688 2.652 25476 3731 1 6 . 1 1 68 68 THR CA C 68 57.990 57.990 59.419 -1.429 25476 3732 1 6 . 1 1 68 68 THR CB C 68 70.260 70.260 70.720 -0.460 25476 3733 1 6 . 1 1 68 68 THR H H 68 9.200 9.200 8.043 1.157 25476 3734 1 6 . 1 1 69 69 TYR N N 69 115.700 115.700 120.926 -5.226 25476 3735 1 6 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.731 1.359 25476 3736 1 6 . 1 1 69 69 TYR C C 69 173.310 173.310 174.000 -0.690 25476 3737 1 6 . 1 1 69 69 TYR CA C 69 55.500 55.500 57.744 -2.244 25476 3738 1 6 . 1 1 69 69 TYR CB C 69 44.600 44.600 42.430 2.170 25476 3739 1 6 . 1 1 69 69 TYR H H 69 8.190 8.190 8.731 -0.541 25476 3740 1 6 . 1 1 70 70 ARG N N 70 115.070 115.070 120.711 -5.641 25476 3741 1 6 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.689 0.821 25476 3742 1 6 . 1 1 70 70 ARG C C 70 175.220 175.220 174.642 0.578 25476 3743 1 6 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.761 0.390 25476 3744 1 6 . 1 1 70 70 ARG CB C 70 32.780 32.780 33.863 -1.083 25476 3745 1 6 . 1 1 70 70 ARG H H 70 8.160 8.160 8.607 -0.447 25476 3746 1 6 . 1 1 71 71 TYR N N 71 118.750 118.750 119.288 -0.538 25476 3747 1 6 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.653 -0.533 25476 3748 1 6 . 1 1 71 71 TYR H H 71 9.220 9.220 7.987 1.233 25476 3749 1 6 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.820 -0.400 25476 3750 1 6 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.763 0.087 25476 3751 1 6 . 1 1 72 72 GLN CB C 72 30.990 30.990 32.834 -1.844 25476 3752 1 6 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.569 1.261 25476 3753 1 6 . 1 1 73 73 PHE C C 73 177.280 177.280 175.910 1.370 25476 3754 1 6 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.394 -3.713 25476 3755 1 6 . 1 1 73 73 PHE CB C 73 39.800 39.800 41.268 -1.468 25476 3756 1 6 . 1 1 74 74 GLY N N 74 108.520 108.520 108.315 0.205 25476 3757 1 6 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.017 2.463 25476 3758 1 6 . 1 1 74 74 GLY H H 74 9.350 9.350 7.662 1.688 25476 3759 1 6 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.061 0.309 25476 3760 1 6 . 1 1 75 75 LEU C C 75 174.270 174.270 174.743 -0.473 25476 3761 1 6 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.305 -0.515 25476 3762 1 6 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.559 0.301 25476 3763 1 6 . 1 1 76 76 PHE N N 76 135.230 135.230 126.313 8.917 25476 3764 1 6 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.152 -0.812 25476 3765 1 6 . 1 1 76 76 PHE C C 76 174.690 174.690 173.784 0.906 25476 3766 1 6 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.964 -0.064 25476 3767 1 6 . 1 1 76 76 PHE H H 76 9.840 9.840 8.589 1.251 25476 3768 1 6 . 1 1 77 77 ASP N N 77 125.580 125.580 127.832 -2.252 25476 3769 1 6 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.667 -0.337 25476 3770 1 6 . 1 1 77 77 ASP C C 77 178.310 178.310 177.165 1.145 25476 3771 1 6 . 1 1 77 77 ASP CA C 77 52.750 52.750 53.938 -1.188 25476 3772 1 6 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.660 -1.200 25476 3773 1 6 . 1 1 77 77 ASP H H 77 7.940 7.940 7.945 -0.005 25476 3774 1 6 . 1 1 78 78 LYS N N 78 116.610 116.610 118.126 -1.516 25476 3775 1 6 . 1 1 78 78 LYS HA H 78 4.090 4.090 4.135 -0.045 25476 3776 1 6 . 1 1 78 78 LYS C C 78 176.910 176.910 177.065 -0.155 25476 3777 1 6 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.700 -1.120 25476 3778 1 6 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.537 -1.507 25476 3779 1 6 . 1 1 78 78 LYS H H 78 9.030 9.030 8.556 0.474 25476 3780 1 6 . 1 1 79 79 GLU N N 79 120.510 120.510 117.830 2.680 25476 3781 1 6 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.387 -0.127 25476 3782 1 6 . 1 1 79 79 GLU C C 79 176.160 176.160 176.790 -0.630 25476 3783 1 6 . 1 1 79 79 GLU CA C 79 55.330 55.330 55.996 -0.666 25476 3784 1 6 . 1 1 79 79 GLU CB C 79 29.420 29.420 30.009 -0.589 25476 3785 1 6 . 1 1 79 79 GLU H H 79 7.850 7.850 7.755 0.095 25476 3786 1 6 . 1 1 80 80 GLY N N 80 109.610 109.610 107.859 1.751 25476 3787 1 6 . 1 1 80 80 GLY C C 80 172.820 172.820 173.874 -1.054 25476 3788 1 6 . 1 1 80 80 GLY CA C 80 45.380 45.380 44.760 0.621 25476 3789 1 6 . 1 1 80 80 GLY H H 80 7.800 7.800 7.898 -0.098 25476 3790 1 6 . 1 1 81 81 ASN N N 81 117.680 117.680 117.917 -0.237 25476 3791 1 6 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.559 0.151 25476 3792 1 6 . 1 1 81 81 ASN C C 81 174.110 174.110 175.382 -1.272 25476 3793 1 6 . 1 1 81 81 ASN CA C 81 51.160 51.160 52.857 -1.697 25476 3794 1 6 . 1 1 81 81 ASN CB C 81 40.160 40.160 38.980 1.180 25476 3795 1 6 . 1 1 81 81 ASN H H 81 7.560 7.560 7.909 -0.349 25476 3796 1 6 . 1 1 82 82 TRP N N 82 122.870 122.870 127.578 -4.708 25476 3797 1 6 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.666 0.484 25476 3798 1 6 . 1 1 82 82 TRP C C 82 177.480 177.480 175.981 1.499 25476 3799 1 6 . 1 1 82 82 TRP CA C 82 57.260 57.260 57.260 -0.000 25476 3800 1 6 . 1 1 82 82 TRP H H 82 8.480 8.480 8.347 0.133 25476 3801 1 6 . 1 1 83 83 THR N N 83 118.050 118.050 123.072 -5.022 25476 3802 1 6 . 1 1 83 83 THR HA H 83 4.820 4.820 4.433 0.387 25476 3803 1 6 . 1 1 83 83 THR C C 83 173.630 173.630 172.862 0.768 25476 3804 1 6 . 1 1 83 83 THR CA C 83 60.470 60.470 61.314 -0.844 25476 3805 1 6 . 1 1 83 83 THR CB C 83 72.050 72.050 72.061 -0.011 25476 3806 1 6 . 1 1 83 83 THR H H 83 9.280 9.280 8.686 0.594 25476 3807 1 6 . 1 1 84 84 VAL N N 84 125.990 125.990 122.503 3.487 25476 3808 1 6 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.900 -0.370 25476 3809 1 6 . 1 1 84 84 VAL C C 84 175.440 175.440 174.983 0.457 25476 3810 1 6 . 1 1 84 84 VAL CA C 84 64.280 64.280 61.822 2.458 25476 3811 1 6 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.815 -0.185 25476 3812 1 6 . 1 1 84 84 VAL H H 84 9.100 9.100 8.322 0.778 25476 3813 1 6 . 1 1 85 85 VAL N N 85 124.640 124.640 123.718 0.922 25476 3814 1 6 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.774 0.196 25476 3815 1 6 . 1 1 85 85 VAL CA C 85 58.050 58.050 58.459 -0.409 25476 3816 1 6 . 1 1 85 85 VAL CB C 85 35.190 35.190 32.515 2.675 25476 3817 1 6 . 1 1 85 85 VAL H H 85 7.430 7.430 8.360 -0.930 25476 3818 1 6 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.577 -0.097 25476 3819 1 6 . 1 1 86 86 PRO C C 86 175.970 175.970 175.817 0.153 25476 3820 1 6 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.672 0.248 25476 3821 1 6 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.294 -0.364 25476 3822 1 6 . 1 1 87 87 ILE N N 87 123.980 123.980 120.830 3.150 25476 3823 1 6 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.444 0.476 25476 3824 1 6 . 1 1 87 87 ILE C C 87 175.510 175.510 175.887 -0.377 25476 3825 1 6 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.286 0.834 25476 3826 1 6 . 1 1 87 87 ILE CB C 87 37.550 37.550 38.044 -0.494 25476 3827 1 6 . 1 1 87 87 ILE H H 87 8.500 8.500 7.963 0.537 25476 3828 1 6 . 1 1 88 88 ASN N N 88 119.050 119.050 123.687 -4.637 25476 3829 1 6 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.522 -0.162 25476 3830 1 6 . 1 1 88 88 ASN CA C 88 52.210 52.210 53.357 -1.147 25476 3831 1 6 . 1 1 88 88 ASN CB C 88 37.740 37.740 38.946 -1.206 25476 3832 1 6 . 1 1 88 88 ASN H H 88 8.390 8.390 7.926 0.464 25476 3833 1 6 . 1 1 90 90 THR HA H 90 3.800 3.800 3.878 -0.078 25476 3834 1 6 . 1 1 90 90 THR C C 90 175.860 175.860 175.980 -0.120 25476 3835 1 6 . 1 1 90 90 THR CA C 90 66.300 66.300 66.244 0.056 25476 3836 1 6 . 1 1 90 90 THR CB C 90 68.380 68.380 68.540 -0.160 25476 3837 1 6 . 1 1 91 91 GLU N N 91 120.430 120.430 119.351 1.079 25476 3838 1 6 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.044 0.066 25476 3839 1 6 . 1 1 91 91 GLU C C 91 179.320 179.320 178.714 0.606 25476 3840 1 6 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.014 0.446 25476 3841 1 6 . 1 1 91 91 GLU CB C 91 29.040 29.040 29.031 0.009 25476 3842 1 6 . 1 1 91 91 GLU H H 91 9.440 9.440 8.679 0.761 25476 3843 1 6 . 1 1 92 92 VAL N N 92 119.810 119.810 120.439 -0.629 25476 3844 1 6 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.792 -0.172 25476 3845 1 6 . 1 1 92 92 VAL C C 92 177.270 177.270 177.714 -0.444 25476 3846 1 6 . 1 1 92 92 VAL CA C 92 65.950 65.950 66.073 -0.123 25476 3847 1 6 . 1 1 92 92 VAL CB C 92 31.480 31.480 32.015 -0.535 25476 3848 1 6 . 1 1 92 92 VAL H H 92 7.010 7.010 7.647 -0.637 25476 3849 1 6 . 1 1 93 93 VAL N N 93 120.570 120.570 120.341 0.229 25476 3850 1 6 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.477 -0.187 25476 3851 1 6 . 1 1 93 93 VAL C C 93 177.970 177.970 177.594 0.376 25476 3852 1 6 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.429 0.921 25476 3853 1 6 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.581 -0.121 25476 3854 1 6 . 1 1 93 93 VAL H H 93 7.720 7.720 7.353 0.367 25476 3855 1 6 . 1 1 94 94 GLU N N 94 118.100 118.100 118.464 -0.364 25476 3856 1 6 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.231 -0.121 25476 3857 1 6 . 1 1 94 94 GLU C C 94 179.420 179.420 178.917 0.503 25476 3858 1 6 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.331 0.319 25476 3859 1 6 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.327 0.063 25476 3860 1 6 . 1 1 94 94 GLU H H 94 8.320 8.320 8.255 0.065 25476 3861 1 6 . 1 1 95 95 ARG N N 95 120.330 120.330 120.542 -0.212 25476 3862 1 6 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.174 0.196 25476 3863 1 6 . 1 1 95 95 ARG C C 95 179.510 179.510 178.701 0.809 25476 3864 1 6 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.486 -0.946 25476 3865 1 6 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.556 0.064 25476 3866 1 6 . 1 1 95 95 ARG H H 95 7.350 7.350 7.870 -0.520 25476 3867 1 6 . 1 1 96 96 LEU N N 96 124.600 124.600 119.552 5.048 25476 3868 1 6 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.248 -0.418 25476 3869 1 6 . 1 1 96 96 LEU C C 96 177.600 177.600 179.474 -1.874 25476 3870 1 6 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.722 1.568 25476 3871 1 6 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.504 -1.903 25476 3872 1 6 . 1 1 96 96 LEU H H 96 8.600 8.600 7.732 0.868 25476 3873 1 6 . 1 1 97 97 GLU N N 97 118.190 118.190 119.825 -1.635 25476 3874 1 6 . 1 1 97 97 GLU HA H 97 3.740 3.740 3.897 -0.157 25476 3875 1 6 . 1 1 97 97 GLU C C 97 177.630 177.630 179.093 -1.463 25476 3876 1 6 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.633 0.807 25476 3877 1 6 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.444 -1.224 25476 3878 1 6 . 1 1 97 97 GLU H H 97 8.540 8.540 7.885 0.655 25476 3879 1 6 . 1 1 98 98 TYR N N 98 119.160 119.160 120.038 -0.878 25476 3880 1 6 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.246 -0.176 25476 3881 1 6 . 1 1 98 98 TYR C C 98 179.010 179.010 177.344 1.666 25476 3882 1 6 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.655 0.465 25476 3883 1 6 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.617 0.173 25476 3884 1 6 . 1 1 98 98 TYR H H 98 8.380 8.380 7.878 0.502 25476 3885 1 6 . 1 1 99 99 THR N N 99 109.220 109.220 115.076 -5.856 25476 3886 1 6 . 1 1 99 99 THR HA H 99 4.310 4.310 4.004 0.306 25476 3887 1 6 . 1 1 99 99 THR C C 99 178.320 178.320 176.750 1.570 25476 3888 1 6 . 1 1 99 99 THR CA C 99 64.890 64.890 66.623 -1.733 25476 3889 1 6 . 1 1 99 99 THR CB C 99 69.810 69.810 69.152 0.658 25476 3890 1 6 . 1 1 99 99 THR H H 99 8.480 8.480 8.214 0.266 25476 3891 1 6 . 1 1 100 100 LEU N N 100 128.250 128.250 119.444 8.806 25476 3892 1 6 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.163 -0.623 25476 3893 1 6 . 1 1 100 100 LEU C C 100 177.870 177.870 178.211 -0.341 25476 3894 1 6 . 1 1 100 100 LEU CA C 100 58.200 58.200 57.606 0.594 25476 3895 1 6 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.468 0.993 25476 3896 1 6 . 1 1 100 100 LEU H H 100 8.200 8.200 8.146 0.054 25476 3897 1 6 . 1 1 101 101 ARG N N 101 118.550 118.550 119.729 -1.179 25476 3898 1 6 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.894 -0.284 25476 3899 1 6 . 1 1 101 101 ARG C C 101 178.930 178.930 178.555 0.375 25476 3900 1 6 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.112 1.348 25476 3901 1 6 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.786 -0.496 25476 3902 1 6 . 1 1 101 101 ARG H H 101 8.440 8.440 8.075 0.365 25476 3903 1 6 . 1 1 102 102 GLU N N 102 119.760 119.760 118.517 1.243 25476 3904 1 6 . 1 1 102 102 GLU HA H 102 3.920 3.920 3.995 -0.075 25476 3905 1 6 . 1 1 102 102 GLU C C 102 178.360 178.360 178.651 -0.291 25476 3906 1 6 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.245 0.705 25476 3907 1 6 . 1 1 102 102 GLU CB C 102 30.020 30.020 28.843 1.177 25476 3908 1 6 . 1 1 102 102 GLU H H 102 7.970 7.970 7.811 0.159 25476 3909 1 6 . 1 1 103 103 PHE N N 103 119.570 119.570 121.538 -1.968 25476 3910 1 6 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.028 -0.108 25476 3911 1 6 . 1 1 103 103 PHE C C 103 175.350 175.350 177.034 -1.684 25476 3912 1 6 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.861 -1.061 25476 3913 1 6 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.316 0.224 25476 3914 1 6 . 1 1 103 103 PHE H H 103 7.630 7.630 7.918 -0.288 25476 3915 1 6 . 1 1 104 104 HIS N N 104 119.160 119.160 117.848 1.312 25476 3916 1 6 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.203 -1.173 25476 3917 1 6 . 1 1 104 104 HIS C C 104 175.460 175.460 177.228 -1.768 25476 3918 1 6 . 1 1 104 104 HIS CA C 104 60.710 60.710 59.868 0.842 25476 3919 1 6 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.770 1.960 25476 3920 1 6 . 1 1 104 104 HIS H H 104 8.800 8.800 7.835 0.965 25476 3921 1 6 . 1 1 105 105 GLU N N 105 117.900 117.900 119.199 -1.299 25476 3922 1 6 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.957 -0.517 25476 3923 1 6 . 1 1 105 105 GLU C C 105 177.990 177.990 178.708 -0.718 25476 3924 1 6 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.649 -0.039 25476 3925 1 6 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.606 -0.306 25476 3926 1 6 . 1 1 105 105 GLU H H 105 7.890 7.890 7.645 0.245 25476 3927 1 6 . 1 1 106 106 LYS N N 106 117.260 117.260 118.473 -1.213 25476 3928 1 6 . 1 1 106 106 LYS HA H 106 3.970 3.970 4.011 -0.041 25476 3929 1 6 . 1 1 106 106 LYS C C 106 179.570 179.570 178.663 0.907 25476 3930 1 6 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.860 -0.150 25476 3931 1 6 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.196 0.584 25476 3932 1 6 . 1 1 106 106 LYS H H 106 6.870 6.870 7.508 -0.638 25476 3933 1 6 . 1 1 107 107 LEU N N 107 123.180 123.180 121.892 1.288 25476 3934 1 6 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.896 -0.446 25476 3935 1 6 . 1 1 107 107 LEU C C 107 177.170 177.170 178.451 -1.281 25476 3936 1 6 . 1 1 107 107 LEU CA C 107 57.340 57.340 56.748 0.591 25476 3937 1 6 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.680 0.560 25476 3938 1 6 . 1 1 107 107 LEU H H 107 8.020 8.020 7.665 0.355 25476 3939 1 6 . 1 1 108 108 ARG N N 108 120.070 120.070 119.299 0.771 25476 3940 1 6 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.673 -0.263 25476 3941 1 6 . 1 1 108 108 ARG C C 108 178.460 178.460 178.236 0.224 25476 3942 1 6 . 1 1 108 108 ARG CA C 108 59.640 59.640 60.259 -0.619 25476 3943 1 6 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.438 -0.228 25476 3944 1 6 . 1 1 108 108 ARG H H 108 8.680 8.680 7.633 1.047 25476 3945 1 6 . 1 1 109 109 ASP N N 109 119.480 119.480 118.577 0.903 25476 3946 1 6 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.363 -0.053 25476 3947 1 6 . 1 1 109 109 ASP C C 109 178.900 178.900 178.515 0.385 25476 3948 1 6 . 1 1 109 109 ASP CA C 109 57.140 57.140 56.983 0.157 25476 3949 1 6 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.304 -0.434 25476 3950 1 6 . 1 1 109 109 ASP H H 109 7.890 7.890 7.666 0.224 25476 3951 1 6 . 1 1 110 110 LEU N N 110 122.740 122.740 120.835 1.905 25476 3952 1 6 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.945 0.155 25476 3953 1 6 . 1 1 110 110 LEU C C 110 179.830 179.830 178.657 1.173 25476 3954 1 6 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.949 -0.269 25476 3955 1 6 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.974 -0.684 25476 3956 1 6 . 1 1 110 110 LEU H H 110 7.650 7.650 7.273 0.377 25476 3957 1 6 . 1 1 111 111 LEU N N 111 122.170 122.170 119.128 3.042 25476 3958 1 6 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.868 -0.038 25476 3959 1 6 . 1 1 111 111 LEU C C 111 179.990 179.990 179.131 0.859 25476 3960 1 6 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.130 0.480 25476 3961 1 6 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.483 -2.103 25476 3962 1 6 . 1 1 111 111 LEU H H 111 8.320 8.320 8.094 0.226 25476 3963 1 6 . 1 1 112 112 ILE N N 112 122.490 122.490 117.725 4.765 25476 3964 1 6 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.721 0.249 25476 3965 1 6 . 1 1 112 112 ILE C C 112 180.930 180.930 177.577 3.353 25476 3966 1 6 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.160 -0.500 25476 3967 1 6 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.575 -0.255 25476 3968 1 6 . 1 1 112 112 ILE H H 112 8.790 8.790 8.083 0.707 25476 3969 1 6 . 1 1 113 113 SER N N 113 119.860 119.860 115.352 4.508 25476 3970 1 6 . 1 1 113 113 SER HA H 113 4.400 4.400 4.290 0.110 25476 3971 1 6 . 1 1 113 113 SER C C 113 174.520 174.520 175.534 -1.014 25476 3972 1 6 . 1 1 113 113 SER CA C 113 61.390 61.390 61.005 0.385 25476 3973 1 6 . 1 1 113 113 SER CB C 113 62.630 62.630 63.459 -0.829 25476 3974 1 6 . 1 1 113 113 SER H H 113 7.720 7.720 7.719 0.001 25476 3975 1 6 . 1 1 114 114 MET N N 114 121.890 121.890 116.183 5.707 25476 3976 1 6 . 1 1 114 114 MET HA H 114 4.530 4.530 4.689 -0.159 25476 3977 1 6 . 1 1 114 114 MET C C 114 173.850 173.850 175.581 -1.731 25476 3978 1 6 . 1 1 114 114 MET CA C 114 55.330 55.330 55.661 -0.331 25476 3979 1 6 . 1 1 114 114 MET CB C 114 34.040 34.040 33.743 0.297 25476 3980 1 6 . 1 1 114 114 MET H H 114 7.480 7.480 7.225 0.255 25476 3981 1 6 . 1 1 115 115 GLU N N 115 114.160 114.160 116.238 -2.078 25476 3982 1 6 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.965 -0.065 25476 3983 1 6 . 1 1 115 115 GLU C C 115 174.880 174.880 175.097 -0.217 25476 3984 1 6 . 1 1 115 115 GLU CA C 115 57.270 57.270 57.058 0.212 25476 3985 1 6 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.467 -0.957 25476 3986 1 6 . 1 1 115 115 GLU H H 115 8.110 8.110 7.902 0.208 25476 3987 1 6 . 1 1 116 116 LEU N N 116 119.870 119.870 121.321 -1.451 25476 3988 1 6 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.575 0.085 25476 3989 1 6 . 1 1 116 116 LEU C C 116 174.910 174.910 176.362 -1.452 25476 3990 1 6 . 1 1 116 116 LEU CA C 116 53.100 53.100 52.997 0.103 25476 3991 1 6 . 1 1 116 116 LEU CB C 116 45.570 45.570 41.814 3.756 25476 3992 1 6 . 1 1 116 116 LEU H H 116 7.970 7.970 8.014 -0.044 25476 3993 1 6 . 1 1 117 117 ALA N N 117 123.730 123.730 128.004 -4.274 25476 3994 1 6 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.300 0.150 25476 3995 1 6 . 1 1 117 117 ALA C C 117 174.870 174.870 176.095 -1.225 25476 3996 1 6 . 1 1 117 117 ALA CA C 117 50.870 50.870 52.333 -1.463 25476 3997 1 6 . 1 1 117 117 ALA CB C 117 20.700 20.700 19.934 0.766 25476 3998 1 6 . 1 1 117 117 ALA H H 117 7.530 7.530 8.486 -0.956 25476 3999 1 6 . 1 1 118 118 LEU N N 118 121.610 121.610 122.601 -0.991 25476 4000 1 6 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.000 0.480 25476 4001 1 6 . 1 1 118 118 LEU C C 118 175.560 175.560 176.025 -0.465 25476 4002 1 6 . 1 1 118 118 LEU CA C 118 53.840 53.840 55.026 -1.187 25476 4003 1 6 . 1 1 118 118 LEU CB C 118 43.490 43.490 43.794 -0.304 25476 4004 1 6 . 1 1 118 118 LEU H H 118 8.250 8.250 8.355 -0.105 25476 4005 1 6 . 1 1 119 119 GLU N N 119 127.300 127.300 126.209 1.091 25476 4006 1 6 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.985 0.135 25476 4007 1 6 . 1 1 119 119 GLU C C 119 171.510 171.510 173.887 -2.377 25476 4008 1 6 . 1 1 119 119 GLU CA C 119 52.970 52.970 54.347 -1.377 25476 4009 1 6 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.712 0.158 25476 4010 1 6 . 1 1 119 119 GLU H H 119 8.730 8.730 8.549 0.181 25476 4011 1 6 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.732 -0.162 25476 4012 1 6 . 1 1 120 120 PRO C C 120 176.420 176.420 176.869 -0.449 25476 4013 1 6 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.396 -0.636 25476 4014 1 6 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.591 -0.201 25476 4015 1 6 . 1 1 121 121 SER N N 121 117.040 117.040 115.209 1.831 25476 4016 1 6 . 1 1 121 121 SER HA H 121 4.060 4.060 4.539 -0.479 25476 4017 1 6 . 1 1 121 121 SER C C 121 175.150 175.150 175.486 -0.336 25476 4018 1 6 . 1 1 121 121 SER CA C 121 59.230 59.230 58.403 0.827 25476 4019 1 6 . 1 1 121 121 SER CB C 121 62.970 62.970 64.100 -1.130 25476 4020 1 6 . 1 1 121 121 SER H H 121 8.690 8.690 8.579 0.111 25476 4021 1 6 . 1 1 122 122 ASP N N 122 124.140 124.140 125.692 -1.552 25476 4022 1 6 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.566 -0.196 25476 4023 1 6 . 1 1 122 122 ASP C C 122 176.240 176.240 176.221 0.019 25476 4024 1 6 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.405 0.695 25476 4025 1 6 . 1 1 122 122 ASP CB C 122 40.190 40.190 41.161 -0.971 25476 4026 1 6 . 1 1 122 122 ASP H H 122 8.830 8.830 9.013 -0.183 25476 4027 1 6 . 1 1 123 123 ASP N N 123 115.720 115.720 117.369 -1.649 25476 4028 1 6 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.735 -0.115 25476 4029 1 6 . 1 1 123 123 ASP C C 123 174.850 174.850 174.797 0.053 25476 4030 1 6 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.534 -0.744 25476 4031 1 6 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.756 -0.486 25476 4032 1 6 . 1 1 123 123 ASP H H 123 8.210 8.210 8.058 0.152 25476 4033 1 6 . 1 1 124 124 PHE N N 124 122.440 122.440 120.582 1.858 25476 4034 1 6 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.740 0.290 25476 4035 1 6 . 1 1 124 124 PHE C C 124 174.040 174.040 173.159 0.881 25476 4036 1 6 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.896 -1.856 25476 4037 1 6 . 1 1 124 124 PHE CB C 124 42.170 42.170 41.936 0.234 25476 4038 1 6 . 1 1 124 124 PHE H H 124 8.060 8.060 7.700 0.360 25476 4039 1 6 . 1 1 125 125 ASN N N 125 126.850 126.850 121.440 5.410 25476 4040 1 6 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.903 -0.163 25476 4041 1 6 . 1 1 125 125 ASN C C 125 175.070 175.070 173.040 2.030 25476 4042 1 6 . 1 1 125 125 ASN CA C 125 53.430 53.430 53.602 -0.172 25476 4043 1 6 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.775 -0.045 25476 4044 1 6 . 1 1 125 125 ASN H H 125 7.700 7.700 7.715 -0.015 25476 4045 1 6 . 1 1 126 126 ASP N N 126 120.330 120.330 123.533 -3.203 25476 4046 1 6 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.715 -0.585 25476 4047 1 6 . 1 1 126 126 ASP C C 126 176.280 176.280 175.618 0.662 25476 4048 1 6 . 1 1 126 126 ASP CA C 126 56.030 56.030 55.050 0.980 25476 4049 1 6 . 1 1 126 126 ASP CB C 126 39.100 39.100 43.161 -4.061 25476 4050 1 6 . 1 1 126 126 ASP H H 126 7.300 7.300 8.745 -1.445 25476 4051 1 6 . 1 1 127 127 GLU N N 127 127.840 127.840 119.987 7.853 25476 4052 1 6 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.627 -0.267 25476 4053 1 6 . 1 1 127 127 GLU CA C 127 55.470 55.470 55.756 -0.286 25476 4054 1 6 . 1 1 127 127 GLU H H 127 8.320 8.320 8.227 0.093 25476 4055 1 6 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.024 0.646 25476 4056 1 6 . 1 1 128 128 PRO C C 128 176.010 176.010 176.451 -0.441 25476 4057 1 6 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.563 1.067 25476 4058 1 6 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.261 -0.321 25476 4059 1 6 . 1 1 129 129 VAL N N 129 122.940 122.940 119.381 3.559 25476 4060 1 6 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.891 0.099 25476 4061 1 6 . 1 1 129 129 VAL C C 129 173.650 173.650 175.302 -1.652 25476 4062 1 6 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.545 -1.565 25476 4063 1 6 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.585 -0.455 25476 4064 1 6 . 1 1 129 129 VAL H H 129 7.990 7.990 7.763 0.227 25476 4065 1 6 . 1 1 130 130 LYS N N 130 124.620 124.620 128.009 -3.389 25476 4066 1 6 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.407 0.103 25476 4067 1 6 . 1 1 130 130 LYS C C 130 174.900 174.900 175.573 -0.673 25476 4068 1 6 . 1 1 130 130 LYS CA C 130 53.150 53.150 55.420 -2.270 25476 4069 1 6 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.996 2.514 25476 4070 1 6 . 1 1 130 130 LYS H H 130 8.240 8.240 8.342 -0.102 25476 4071 1 6 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.145 -0.345 25476 4072 1 6 . 1 1 131 131 LEU C C 131 178.400 178.400 178.405 -0.005 25476 4073 1 6 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.108 -0.058 25476 4074 1 6 . 1 1 131 131 LEU CB C 131 40.800 40.800 41.994 -1.194 25476 4075 1 6 . 1 1 132 132 SER N N 132 115.550 115.550 114.865 0.685 25476 4076 1 6 . 1 1 132 132 SER HA H 132 4.610 4.610 4.421 0.189 25476 4077 1 6 . 1 1 132 132 SER C C 132 172.970 172.970 173.764 -0.794 25476 4078 1 6 . 1 1 132 132 SER CA C 132 58.620 58.620 57.626 0.994 25476 4079 1 6 . 1 1 132 132 SER CB C 132 63.310 63.310 61.872 1.438 25476 4080 1 6 . 1 1 132 132 SER H H 132 9.070 9.070 8.189 0.881 25476 4081 1 7 . 1 1 2 2 THR N N 2 118.280 118.280 112.252 6.028 25476 4082 1 7 . 1 1 2 2 THR HA H 2 4.550 4.550 4.789 -0.239 25476 4083 1 7 . 1 1 2 2 THR C C 2 174.150 174.150 174.061 0.089 25476 4084 1 7 . 1 1 2 2 THR CA C 2 61.600 61.600 60.758 0.842 25476 4085 1 7 . 1 1 2 2 THR CB C 2 69.970 69.970 72.115 -2.145 25476 4086 1 7 . 1 1 2 2 THR H H 2 8.470 8.470 7.617 0.853 25476 4087 1 7 . 1 1 3 3 LEU N N 3 125.130 125.130 121.126 4.004 25476 4088 1 7 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.757 -0.097 25476 4089 1 7 . 1 1 3 3 LEU C C 3 176.690 176.690 177.830 -1.140 25476 4090 1 7 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.018 0.522 25476 4091 1 7 . 1 1 3 3 LEU CB C 3 40.050 40.050 41.172 -1.122 25476 4092 1 7 . 1 1 3 3 LEU H H 3 8.580 8.580 8.263 0.317 25476 4093 1 7 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.346 0.014 25476 4094 1 7 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.731 0.739 25476 4095 1 7 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.867 0.023 25476 4096 1 7 . 1 1 5 5 SER HA H 5 4.580 4.580 4.420 0.160 25476 4097 1 7 . 1 1 5 5 SER C C 5 175.510 175.510 175.588 -0.078 25476 4098 1 7 . 1 1 5 5 SER CA C 5 59.410 59.410 58.251 1.159 25476 4099 1 7 . 1 1 5 5 SER CB C 5 63.110 63.110 63.174 -0.064 25476 4100 1 7 . 1 1 6 6 GLY N N 6 112.010 112.010 108.924 3.086 25476 4101 1 7 . 1 1 6 6 GLY C C 6 173.300 173.300 174.518 -1.218 25476 4102 1 7 . 1 1 6 6 GLY CA C 6 44.530 44.530 45.012 -0.482 25476 4103 1 7 . 1 1 6 6 GLY H H 6 8.620 8.620 7.672 0.948 25476 4104 1 7 . 1 1 7 7 HIS N N 7 119.440 119.440 121.651 -2.211 25476 4105 1 7 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.912 -0.232 25476 4106 1 7 . 1 1 7 7 HIS CA C 7 56.340 56.340 54.733 1.607 25476 4107 1 7 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.543 0.487 25476 4108 1 7 . 1 1 7 7 HIS H H 7 7.170 7.170 7.964 -0.794 25476 4109 1 7 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.539 0.251 25476 4110 1 7 . 1 1 8 8 PRO C C 8 178.140 178.140 176.619 1.521 25476 4111 1 7 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.380 -0.530 25476 4112 1 7 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.780 -0.800 25476 4113 1 7 . 1 1 9 9 LYS N N 9 127.570 127.570 126.070 1.500 25476 4114 1 7 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.196 -0.026 25476 4115 1 7 . 1 1 9 9 LYS C C 9 178.050 178.050 178.519 -0.469 25476 4116 1 7 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.200 0.630 25476 4117 1 7 . 1 1 9 9 LYS H H 9 9.000 9.000 8.576 0.424 25476 4118 1 7 . 1 1 10 10 SER N N 10 113.610 113.610 114.202 -0.592 25476 4119 1 7 . 1 1 10 10 SER HA H 10 4.120 4.120 4.170 -0.050 25476 4120 1 7 . 1 1 10 10 SER C C 10 176.750 176.750 176.555 0.195 25476 4121 1 7 . 1 1 10 10 SER CA C 10 61.050 61.050 62.956 -1.906 25476 4122 1 7 . 1 1 10 10 SER H H 10 9.170 9.170 8.247 0.923 25476 4123 1 7 . 1 1 11 11 ARG N N 11 122.220 122.220 122.206 0.014 25476 4124 1 7 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.144 0.007 25476 4125 1 7 . 1 1 11 11 ARG C C 11 177.890 177.890 178.452 -0.562 25476 4126 1 7 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.882 -0.602 25476 4127 1 7 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.661 0.349 25476 4128 1 7 . 1 1 11 11 ARG H H 11 7.100 7.100 8.090 -0.990 25476 4129 1 7 . 1 1 12 12 LEU N N 12 121.360 121.360 120.906 0.454 25476 4130 1 7 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.768 -0.198 25476 4131 1 7 . 1 1 12 12 LEU C C 12 177.890 177.890 178.687 -0.797 25476 4132 1 7 . 1 1 12 12 LEU CA C 12 56.000 56.000 58.115 -2.115 25476 4133 1 7 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.261 -1.821 25476 4134 1 7 . 1 1 12 12 LEU H H 12 7.220 7.220 7.750 -0.530 25476 4135 1 7 . 1 1 13 13 ILE N N 13 118.920 118.920 119.155 -0.235 25476 4136 1 7 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.926 -0.156 25476 4137 1 7 . 1 1 13 13 ILE C C 13 179.060 179.060 178.568 0.492 25476 4138 1 7 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.494 0.636 25476 4139 1 7 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.723 -0.293 25476 4140 1 7 . 1 1 13 13 ILE H H 13 8.590 8.590 8.601 -0.011 25476 4141 1 7 . 1 1 14 14 LYS N N 14 121.950 121.950 119.420 2.530 25476 4142 1 7 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.134 -0.004 25476 4143 1 7 . 1 1 14 14 LYS C C 14 179.810 179.810 179.248 0.562 25476 4144 1 7 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.994 1.066 25476 4145 1 7 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.064 0.016 25476 4146 1 7 . 1 1 14 14 LYS H H 14 7.730 7.730 8.191 -0.461 25476 4147 1 7 . 1 1 15 15 LYS N N 15 119.750 119.750 118.897 0.853 25476 4148 1 7 . 1 1 15 15 LYS HA H 15 4.120 4.120 4.040 0.080 25476 4149 1 7 . 1 1 15 15 LYS C C 15 179.700 179.700 179.507 0.193 25476 4150 1 7 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.119 -0.389 25476 4151 1 7 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.434 -0.485 25476 4152 1 7 . 1 1 15 15 LYS H H 15 7.800 7.800 8.006 -0.206 25476 4153 1 7 . 1 1 16 16 PHE N N 16 117.660 117.660 118.870 -1.210 25476 4154 1 7 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.372 0.388 25476 4155 1 7 . 1 1 16 16 PHE C C 16 180.960 180.960 178.396 2.564 25476 4156 1 7 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.060 -3.420 25476 4157 1 7 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.352 0.448 25476 4158 1 7 . 1 1 16 16 PHE H H 16 9.130 9.130 8.592 0.538 25476 4159 1 7 . 1 1 17 17 THR N N 17 120.130 120.130 116.014 4.116 25476 4160 1 7 . 1 1 17 17 THR HA H 17 4.370 4.370 4.182 0.188 25476 4161 1 7 . 1 1 17 17 THR C C 17 175.550 175.550 176.055 -0.505 25476 4162 1 7 . 1 1 17 17 THR CA C 17 66.840 66.840 65.738 1.102 25476 4163 1 7 . 1 1 17 17 THR CB C 17 68.920 68.920 68.704 0.216 25476 4164 1 7 . 1 1 17 17 THR H H 17 8.940 8.940 7.904 1.036 25476 4165 1 7 . 1 1 18 18 ALA N N 18 122.170 122.170 123.044 -0.874 25476 4166 1 7 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.299 0.081 25476 4167 1 7 . 1 1 18 18 ALA C C 18 178.110 178.110 177.747 0.363 25476 4168 1 7 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.820 -0.430 25476 4169 1 7 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.511 -0.211 25476 4170 1 7 . 1 1 18 18 ALA H H 18 7.310 7.310 8.081 -0.771 25476 4171 1 7 . 1 1 19 19 LEU N N 19 116.080 116.080 116.967 -0.887 25476 4172 1 7 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.554 -0.184 25476 4173 1 7 . 1 1 19 19 LEU C C 19 176.620 176.620 176.524 0.096 25476 4174 1 7 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.260 2.370 25476 4175 1 7 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.210 0.210 25476 4176 1 7 . 1 1 19 19 LEU H H 19 7.580 7.580 7.521 0.059 25476 4177 1 7 . 1 1 20 20 GLY N N 20 103.280 103.280 106.618 -3.338 25476 4178 1 7 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.718 -0.657 25476 4179 1 7 . 1 1 20 20 GLY H H 20 7.650 7.650 7.342 0.308 25476 4180 1 7 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.320 0.550 25476 4181 1 7 . 1 1 21 21 PRO C C 21 174.850 174.850 176.281 -1.431 25476 4182 1 7 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.343 0.797 25476 4183 1 7 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.290 -3.390 25476 4184 1 7 . 1 1 22 22 TYR N N 22 120.690 120.690 117.065 3.625 25476 4185 1 7 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.357 0.823 25476 4186 1 7 . 1 1 22 22 TYR C C 22 176.340 176.340 176.975 -0.635 25476 4187 1 7 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.310 -1.530 25476 4188 1 7 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.151 3.349 25476 4189 1 7 . 1 1 22 22 TYR H H 22 7.680 7.680 8.227 -0.547 25476 4190 1 7 . 1 1 23 23 ILE N N 23 119.130 119.130 122.438 -3.308 25476 4191 1 7 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.105 0.015 25476 4192 1 7 . 1 1 23 23 ILE C C 23 174.210 174.210 176.590 -2.380 25476 4193 1 7 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.434 0.396 25476 4194 1 7 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.309 0.191 25476 4195 1 7 . 1 1 23 23 ILE H H 23 8.860 8.860 8.719 0.141 25476 4196 1 7 . 1 1 24 24 ARG N N 24 126.540 126.540 127.773 -1.233 25476 4197 1 7 . 1 1 24 24 ARG C C 24 177.290 177.290 176.163 1.127 25476 4198 1 7 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.169 -3.079 25476 4199 1 7 . 1 1 24 24 ARG H H 24 8.100 8.100 8.855 -0.755 25476 4200 1 7 . 1 1 25 25 GLU N N 25 126.990 126.990 123.996 2.994 25476 4201 1 7 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.150 -0.050 25476 4202 1 7 . 1 1 25 25 GLU C C 25 176.780 176.780 176.850 -0.070 25476 4203 1 7 . 1 1 25 25 GLU CA C 25 60.860 60.860 57.282 3.578 25476 4204 1 7 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.160 -0.510 25476 4205 1 7 . 1 1 25 25 GLU H H 25 9.400 9.400 8.028 1.372 25476 4206 1 7 . 1 1 26 26 GLY N N 26 109.830 109.830 109.333 0.497 25476 4207 1 7 . 1 1 26 26 GLY C C 26 174.380 174.380 174.502 -0.122 25476 4208 1 7 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.333 1.187 25476 4209 1 7 . 1 1 26 26 GLY H H 26 8.070 8.070 8.452 -0.382 25476 4210 1 7 . 1 1 27 27 GLN N N 27 117.670 117.670 119.338 -1.668 25476 4211 1 7 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.441 -0.131 25476 4212 1 7 . 1 1 27 27 GLN C C 27 175.350 175.350 175.457 -0.107 25476 4213 1 7 . 1 1 27 27 GLN CA C 27 55.320 55.320 56.755 -1.435 25476 4214 1 7 . 1 1 27 27 GLN CB C 27 29.340 29.340 29.698 -0.358 25476 4215 1 7 . 1 1 27 27 GLN H H 27 7.690 7.690 8.512 -0.822 25476 4216 1 7 . 1 1 28 28 CYS N N 28 119.770 119.770 115.991 3.779 25476 4217 1 7 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.679 -0.139 25476 4218 1 7 . 1 1 28 28 CYS C C 28 173.480 173.480 173.808 -0.328 25476 4219 1 7 . 1 1 28 28 CYS CA C 28 58.810 58.810 57.501 1.309 25476 4220 1 7 . 1 1 28 28 CYS CB C 28 27.070 27.070 29.854 -2.784 25476 4221 1 7 . 1 1 28 28 CYS H H 28 7.510 7.510 7.630 -0.120 25476 4222 1 7 . 1 1 29 29 GLU N N 29 124.370 124.370 117.478 6.892 25476 4223 1 7 . 1 1 29 29 GLU HA H 29 4.540 4.540 3.914 0.626 25476 4224 1 7 . 1 1 29 29 GLU C C 29 174.810 174.810 174.796 0.014 25476 4225 1 7 . 1 1 29 29 GLU CA C 29 55.560 55.560 57.386 -1.826 25476 4226 1 7 . 1 1 29 29 GLU CB C 29 30.030 30.030 28.705 1.325 25476 4227 1 7 . 1 1 29 29 GLU H H 29 7.840 7.840 8.505 -0.665 25476 4228 1 7 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.773 -0.193 25476 4229 1 7 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.831 0.619 25476 4230 1 7 . 1 1 31 31 ASN CB C 31 39.200 39.200 38.529 0.671 25476 4231 1 7 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.774 0.736 25476 4232 1 7 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.593 0.457 25476 4233 1 7 . 1 1 32 32 ARG CB C 32 33.480 33.480 33.510 -0.030 25476 4234 1 7 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.661 0.579 25476 4235 1 7 . 1 1 34 34 PHE C C 34 172.210 172.210 173.949 -1.739 25476 4236 1 7 . 1 1 34 34 PHE CA C 34 57.690 57.690 57.367 0.322 25476 4237 1 7 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.510 2.590 25476 4238 1 7 . 1 1 35 35 PHE N N 35 125.800 125.800 122.378 3.422 25476 4239 1 7 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.497 0.673 25476 4240 1 7 . 1 1 35 35 PHE C C 35 173.110 173.110 173.314 -0.204 25476 4241 1 7 . 1 1 35 35 PHE CA C 35 54.860 54.860 56.658 -1.798 25476 4242 1 7 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.589 0.661 25476 4243 1 7 . 1 1 35 35 PHE H H 35 8.660 8.660 7.586 1.074 25476 4244 1 7 . 1 1 36 36 ASP N N 36 120.960 120.960 122.422 -1.462 25476 4245 1 7 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.248 0.332 25476 4246 1 7 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.712 1.448 25476 4247 1 7 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.286 -0.256 25476 4248 1 7 . 1 1 36 36 ASP H H 36 9.370 9.370 8.242 1.128 25476 4249 1 7 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.357 -0.367 25476 4250 1 7 . 1 1 37 37 CYS C C 37 173.460 173.460 173.742 -0.282 25476 4251 1 7 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.955 -0.345 25476 4252 1 7 . 1 1 37 37 CYS CB C 37 27.170 27.170 26.789 0.381 25476 4253 1 7 . 1 1 38 38 LEU N N 38 131.890 131.890 126.099 5.791 25476 4254 1 7 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.489 -0.279 25476 4255 1 7 . 1 1 38 38 LEU C C 38 175.570 175.570 177.038 -1.468 25476 4256 1 7 . 1 1 38 38 LEU CA C 38 53.530 53.530 55.165 -1.635 25476 4257 1 7 . 1 1 38 38 LEU CB C 38 37.270 37.270 40.076 -2.806 25476 4258 1 7 . 1 1 38 38 LEU H H 38 8.430 8.430 8.485 -0.055 25476 4259 1 7 . 1 1 39 39 ALA N N 39 127.100 127.100 130.654 -3.554 25476 4260 1 7 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.285 0.055 25476 4261 1 7 . 1 1 39 39 ALA C C 39 178.500 178.500 177.090 1.410 25476 4262 1 7 . 1 1 39 39 ALA CA C 39 55.380 55.380 53.629 1.751 25476 4263 1 7 . 1 1 39 39 ALA CB C 39 21.110 21.110 19.910 1.200 25476 4264 1 7 . 1 1 39 39 ALA H H 39 7.960 7.960 8.439 -0.479 25476 4265 1 7 . 1 1 40 40 VAL N N 40 116.260 116.260 110.173 6.087 25476 4266 1 7 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.492 0.128 25476 4267 1 7 . 1 1 40 40 VAL C C 40 173.990 173.990 174.191 -0.201 25476 4268 1 7 . 1 1 40 40 VAL CA C 40 60.940 60.940 59.878 1.062 25476 4269 1 7 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.491 0.989 25476 4270 1 7 . 1 1 40 40 VAL H H 40 8.590 8.590 7.414 1.176 25476 4271 1 7 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.782 -0.902 25476 4272 1 7 . 1 1 41 41 CYS C C 41 174.640 174.640 175.821 -1.181 25476 4273 1 7 . 1 1 41 41 CYS CA C 41 59.280 59.280 57.992 1.288 25476 4274 1 7 . 1 1 41 41 CYS CB C 41 26.700 26.700 27.633 -0.933 25476 4275 1 7 . 1 1 42 42 VAL N N 42 131.320 131.320 124.318 7.002 25476 4276 1 7 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.929 -0.449 25476 4277 1 7 . 1 1 42 42 VAL C C 42 176.270 176.270 175.533 0.737 25476 4278 1 7 . 1 1 42 42 VAL CA C 42 65.390 65.390 63.737 1.653 25476 4279 1 7 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.454 0.386 25476 4280 1 7 . 1 1 42 42 VAL H H 42 8.610 8.610 8.088 0.522 25476 4281 1 7 . 1 1 43 43 ASN N N 43 116.070 116.070 116.078 -0.008 25476 4282 1 7 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.778 0.012 25476 4283 1 7 . 1 1 43 43 ASN C C 43 175.160 175.160 173.775 1.385 25476 4284 1 7 . 1 1 43 43 ASN CA C 43 52.690 52.690 53.171 -0.481 25476 4285 1 7 . 1 1 43 43 ASN CB C 43 39.940 39.940 40.214 -0.274 25476 4286 1 7 . 1 1 43 43 ASN H H 43 7.280 7.280 7.833 -0.553 25476 4287 1 7 . 1 1 44 44 VAL N N 44 121.350 121.350 118.932 2.418 25476 4288 1 7 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.336 -0.216 25476 4289 1 7 . 1 1 44 44 VAL C C 44 175.460 175.460 175.292 0.168 25476 4290 1 7 . 1 1 44 44 VAL CA C 44 61.930 61.930 61.209 0.721 25476 4291 1 7 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.099 -0.469 25476 4292 1 7 . 1 1 44 44 VAL H H 44 8.520 8.520 8.237 0.283 25476 4293 1 7 . 1 1 45 45 LYS N N 45 123.190 123.190 120.240 2.950 25476 4294 1 7 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.304 -0.094 25476 4295 1 7 . 1 1 45 45 LYS CA C 45 59.080 59.080 57.596 1.484 25476 4296 1 7 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.867 -0.367 25476 4297 1 7 . 1 1 45 45 LYS H H 45 8.100 8.100 8.062 0.038 25476 4298 1 7 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.424 -0.054 25476 4299 1 7 . 1 1 46 46 PRO C C 46 174.380 174.380 175.764 -1.384 25476 4300 1 7 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.310 0.750 25476 4301 1 7 . 1 1 46 46 PRO CB C 46 31.660 31.660 31.996 -0.336 25476 4302 1 7 . 1 1 47 47 ALA N N 47 124.500 124.500 121.257 3.243 25476 4303 1 7 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.288 0.182 25476 4304 1 7 . 1 1 47 47 ALA C C 47 176.130 176.130 177.971 -1.841 25476 4305 1 7 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.403 -0.663 25476 4306 1 7 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.246 -0.946 25476 4307 1 7 . 1 1 47 47 ALA H H 47 8.300 8.300 8.303 -0.003 25476 4308 1 7 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.223 -0.413 25476 4309 1 7 . 1 1 48 48 PRO C C 48 178.270 178.270 177.941 0.329 25476 4310 1 7 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.817 1.333 25476 4311 1 7 . 1 1 48 48 PRO CB C 48 31.990 31.990 31.890 0.100 25476 4312 1 7 . 1 1 49 49 GLU N N 49 116.300 116.300 118.107 -1.807 25476 4313 1 7 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.082 0.208 25476 4314 1 7 . 1 1 49 49 GLU C C 49 176.550 176.550 177.128 -0.578 25476 4315 1 7 . 1 1 49 49 GLU CA C 49 58.120 58.120 59.078 -0.958 25476 4316 1 7 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.499 -0.209 25476 4317 1 7 . 1 1 49 49 GLU H H 49 9.390 9.390 9.119 0.271 25476 4318 1 7 . 1 1 50 50 LYS N N 50 120.030 120.030 114.553 5.477 25476 4319 1 7 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.494 -0.034 25476 4320 1 7 . 1 1 50 50 LYS C C 50 175.070 175.070 176.349 -1.279 25476 4321 1 7 . 1 1 50 50 LYS CA C 50 54.670 54.670 54.882 -0.212 25476 4322 1 7 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.945 0.225 25476 4323 1 7 . 1 1 50 50 LYS H H 50 8.350 8.350 7.259 1.091 25476 4324 1 7 . 1 1 51 51 ARG N N 51 119.720 119.720 121.418 -1.698 25476 4325 1 7 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.002 0.298 25476 4326 1 7 . 1 1 51 51 ARG C C 51 174.530 174.530 174.891 -0.361 25476 4327 1 7 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.502 0.188 25476 4328 1 7 . 1 1 51 51 ARG CB C 51 32.000 32.000 30.884 1.117 25476 4329 1 7 . 1 1 51 51 ARG H H 51 7.220 7.220 7.450 -0.230 25476 4330 1 7 . 1 1 52 52 GLU N N 52 119.700 119.700 120.614 -0.914 25476 4331 1 7 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.237 0.453 25476 4332 1 7 . 1 1 52 52 GLU C C 52 175.260 175.260 174.435 0.825 25476 4333 1 7 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.406 0.324 25476 4334 1 7 . 1 1 52 52 GLU H H 52 8.690 8.690 7.978 0.712 25476 4335 1 7 . 1 1 53 53 PHE N N 53 116.950 116.950 117.247 -0.297 25476 4336 1 7 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.642 0.518 25476 4337 1 7 . 1 1 53 53 PHE C C 53 174.970 174.970 174.188 0.782 25476 4338 1 7 . 1 1 53 53 PHE CA C 53 56.960 56.960 56.933 0.027 25476 4339 1 7 . 1 1 53 53 PHE CB C 53 44.210 44.210 42.666 1.544 25476 4340 1 7 . 1 1 53 53 PHE H H 53 8.590 8.590 7.700 0.890 25476 4341 1 7 . 1 1 54 54 TRP N N 54 123.100 123.100 120.027 3.073 25476 4342 1 7 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.691 1.209 25476 4343 1 7 . 1 1 54 54 TRP C C 54 177.820 177.820 176.441 1.379 25476 4344 1 7 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.655 -1.415 25476 4345 1 7 . 1 1 54 54 TRP CB C 54 31.870 31.870 31.223 0.647 25476 4346 1 7 . 1 1 54 54 TRP H H 54 9.520 9.520 8.775 0.745 25476 4347 1 7 . 1 1 55 55 GLY N N 55 110.840 110.840 106.801 4.039 25476 4348 1 7 . 1 1 55 55 GLY CA C 55 47.240 47.240 44.708 2.532 25476 4349 1 7 . 1 1 55 55 GLY H H 55 9.550 9.550 8.257 1.293 25476 4350 1 7 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.867 0.343 25476 4351 1 7 . 1 1 57 57 TRP CA C 57 57.700 57.700 55.404 2.296 25476 4352 1 7 . 1 1 58 58 MET N N 58 122.630 122.630 124.038 -1.408 25476 4353 1 7 . 1 1 58 58 MET HA H 58 4.370 4.370 4.991 -0.621 25476 4354 1 7 . 1 1 58 58 MET CA C 58 55.230 55.230 54.662 0.568 25476 4355 1 7 . 1 1 58 58 MET CB C 58 35.910 35.910 34.773 1.137 25476 4356 1 7 . 1 1 58 58 MET H H 58 9.680 9.680 8.759 0.921 25476 4357 1 7 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.910 0.520 25476 4358 1 7 . 1 1 59 59 GLU C C 59 175.570 175.570 174.753 0.817 25476 4359 1 7 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.714 -0.454 25476 4360 1 7 . 1 1 60 60 LEU N N 60 126.920 126.920 120.417 6.503 25476 4361 1 7 . 1 1 60 60 LEU HA H 60 6.060 6.060 5.350 0.710 25476 4362 1 7 . 1 1 60 60 LEU C C 60 176.470 176.470 175.430 1.040 25476 4363 1 7 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.767 -1.157 25476 4364 1 7 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.882 1.598 25476 4365 1 7 . 1 1 60 60 LEU H H 60 9.610 9.610 8.717 0.893 25476 4366 1 7 . 1 1 61 61 GLU N N 61 123.560 123.560 120.684 2.876 25476 4367 1 7 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.738 0.442 25476 4368 1 7 . 1 1 61 61 GLU C C 61 174.930 174.930 175.279 -0.349 25476 4369 1 7 . 1 1 61 61 GLU CA C 61 55.050 55.050 55.194 -0.144 25476 4370 1 7 . 1 1 61 61 GLU CB C 61 32.200 32.200 33.129 -0.929 25476 4371 1 7 . 1 1 61 61 GLU H H 61 9.070 9.070 8.055 1.015 25476 4372 1 7 . 1 1 62 62 ALA N N 62 129.830 129.830 129.580 0.250 25476 4373 1 7 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.127 -0.007 25476 4374 1 7 . 1 1 62 62 ALA C C 62 175.760 175.760 177.125 -1.365 25476 4375 1 7 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.440 0.240 25476 4376 1 7 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.709 2.621 25476 4377 1 7 . 1 1 62 62 ALA H H 62 9.030 9.030 8.512 0.518 25476 4378 1 7 . 1 1 63 63 GLN N N 63 122.550 122.550 123.195 -0.645 25476 4379 1 7 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.253 0.497 25476 4380 1 7 . 1 1 63 63 GLN C C 63 175.470 175.470 177.392 -1.922 25476 4381 1 7 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.651 -0.711 25476 4382 1 7 . 1 1 63 63 GLN CB C 63 29.650 29.650 29.863 -0.213 25476 4383 1 7 . 1 1 63 63 GLN H H 63 8.170 8.170 7.761 0.409 25476 4384 1 7 . 1 1 64 64 GLU N N 64 120.760 120.760 119.834 0.926 25476 4385 1 7 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.006 -0.456 25476 4386 1 7 . 1 1 64 64 GLU C C 64 176.740 176.740 177.015 -0.275 25476 4387 1 7 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.419 1.921 25476 4388 1 7 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.911 -0.291 25476 4389 1 7 . 1 1 64 64 GLU H H 64 8.730 8.730 8.490 0.240 25476 4390 1 7 . 1 1 65 65 LYS N N 65 112.820 112.820 116.854 -4.034 25476 4391 1 7 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.448 0.182 25476 4392 1 7 . 1 1 65 65 LYS C C 65 175.960 175.960 174.971 0.989 25476 4393 1 7 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.365 -0.575 25476 4394 1 7 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.299 1.001 25476 4395 1 7 . 1 1 65 65 LYS H H 65 8.750 8.750 8.043 0.707 25476 4396 1 7 . 1 1 66 66 ARG N N 66 115.100 115.100 117.976 -2.876 25476 4397 1 7 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.586 0.714 25476 4398 1 7 . 1 1 66 66 ARG C C 66 172.980 172.980 173.601 -0.621 25476 4399 1 7 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.790 -2.260 25476 4400 1 7 . 1 1 66 66 ARG CB C 66 33.000 33.000 34.233 -1.233 25476 4401 1 7 . 1 1 66 66 ARG H H 66 7.520 7.520 7.436 0.084 25476 4402 1 7 . 1 1 67 67 PHE N N 67 119.960 119.960 116.713 3.247 25476 4403 1 7 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.930 0.810 25476 4404 1 7 . 1 1 67 67 PHE C C 67 176.040 176.040 174.569 1.471 25476 4405 1 7 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.957 -1.837 25476 4406 1 7 . 1 1 67 67 PHE CB C 67 41.950 41.950 44.270 -2.320 25476 4407 1 7 . 1 1 67 67 PHE H H 67 9.220 9.220 8.350 0.870 25476 4408 1 7 . 1 1 68 68 THR N N 68 111.030 111.030 118.268 -7.238 25476 4409 1 7 . 1 1 68 68 THR HA H 68 6.310 6.310 4.996 1.314 25476 4410 1 7 . 1 1 68 68 THR C C 68 175.340 175.340 172.504 2.836 25476 4411 1 7 . 1 1 68 68 THR CA C 68 57.990 57.990 60.084 -2.094 25476 4412 1 7 . 1 1 68 68 THR CB C 68 70.260 70.260 70.854 -0.594 25476 4413 1 7 . 1 1 68 68 THR H H 68 9.200 9.200 8.381 0.819 25476 4414 1 7 . 1 1 69 69 TYR N N 69 115.700 115.700 125.169 -9.469 25476 4415 1 7 . 1 1 69 69 TYR HA H 69 6.090 6.090 5.403 0.687 25476 4416 1 7 . 1 1 69 69 TYR C C 69 173.310 173.310 173.049 0.261 25476 4417 1 7 . 1 1 69 69 TYR CA C 69 55.500 55.500 55.609 -0.109 25476 4418 1 7 . 1 1 69 69 TYR CB C 69 44.600 44.600 40.447 4.153 25476 4419 1 7 . 1 1 69 69 TYR H H 69 8.190 8.190 8.591 -0.401 25476 4420 1 7 . 1 1 70 70 ARG N N 70 115.070 115.070 116.877 -1.807 25476 4421 1 7 . 1 1 70 70 ARG HA H 70 5.510 5.510 3.916 1.594 25476 4422 1 7 . 1 1 70 70 ARG C C 70 175.220 175.220 173.882 1.338 25476 4423 1 7 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.651 0.499 25476 4424 1 7 . 1 1 70 70 ARG CB C 70 32.780 32.780 34.037 -1.257 25476 4425 1 7 . 1 1 70 70 ARG H H 70 8.160 8.160 8.475 -0.315 25476 4426 1 7 . 1 1 71 71 TYR N N 71 118.750 118.750 117.908 0.842 25476 4427 1 7 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.419 -0.299 25476 4428 1 7 . 1 1 71 71 TYR H H 71 9.220 9.220 7.437 1.783 25476 4429 1 7 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.838 -0.418 25476 4430 1 7 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.726 0.124 25476 4431 1 7 . 1 1 72 72 GLN CB C 72 30.990 30.990 33.503 -2.513 25476 4432 1 7 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.542 1.288 25476 4433 1 7 . 1 1 73 73 PHE C C 73 177.280 177.280 176.048 1.232 25476 4434 1 7 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.544 -3.864 25476 4435 1 7 . 1 1 73 73 PHE CB C 73 39.800 39.800 41.026 -1.226 25476 4436 1 7 . 1 1 74 74 GLY N N 74 108.520 108.520 108.752 -0.232 25476 4437 1 7 . 1 1 74 74 GLY CA C 74 47.480 47.480 44.933 2.547 25476 4438 1 7 . 1 1 74 74 GLY H H 74 9.350 9.350 7.831 1.519 25476 4439 1 7 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.094 0.276 25476 4440 1 7 . 1 1 75 75 LEU C C 75 174.270 174.270 174.527 -0.257 25476 4441 1 7 . 1 1 75 75 LEU CA C 75 53.790 53.790 53.970 -0.180 25476 4442 1 7 . 1 1 75 75 LEU CB C 75 46.860 46.860 45.716 1.144 25476 4443 1 7 . 1 1 76 76 PHE N N 76 135.230 135.230 126.870 8.360 25476 4444 1 7 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.099 -0.759 25476 4445 1 7 . 1 1 76 76 PHE C C 76 174.690 174.690 173.909 0.781 25476 4446 1 7 . 1 1 76 76 PHE CA C 76 56.900 56.900 55.808 1.092 25476 4447 1 7 . 1 1 76 76 PHE H H 76 9.840 9.840 8.321 1.519 25476 4448 1 7 . 1 1 77 77 ASP N N 77 125.580 125.580 127.530 -1.950 25476 4449 1 7 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.546 -0.216 25476 4450 1 7 . 1 1 77 77 ASP C C 77 178.310 178.310 176.988 1.322 25476 4451 1 7 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.803 -0.053 25476 4452 1 7 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.479 -1.019 25476 4453 1 7 . 1 1 77 77 ASP H H 77 7.940 7.940 8.385 -0.445 25476 4454 1 7 . 1 1 78 78 LYS N N 78 116.610 116.610 120.992 -4.382 25476 4455 1 7 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.865 0.225 25476 4456 1 7 . 1 1 78 78 LYS C C 78 176.910 176.910 177.054 -0.144 25476 4457 1 7 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.444 -0.864 25476 4458 1 7 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.089 -1.059 25476 4459 1 7 . 1 1 78 78 LYS H H 78 9.030 9.030 8.541 0.489 25476 4460 1 7 . 1 1 79 79 GLU N N 79 120.510 120.510 117.294 3.216 25476 4461 1 7 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.154 0.106 25476 4462 1 7 . 1 1 79 79 GLU C C 79 176.160 176.160 176.995 -0.835 25476 4463 1 7 . 1 1 79 79 GLU CA C 79 55.330 55.330 55.677 -0.347 25476 4464 1 7 . 1 1 79 79 GLU CB C 79 29.420 29.420 28.723 0.697 25476 4465 1 7 . 1 1 79 79 GLU H H 79 7.850 7.850 8.036 -0.186 25476 4466 1 7 . 1 1 80 80 GLY N N 80 109.610 109.610 108.902 0.708 25476 4467 1 7 . 1 1 80 80 GLY C C 80 172.820 172.820 173.584 -0.764 25476 4468 1 7 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.448 -0.068 25476 4469 1 7 . 1 1 80 80 GLY H H 80 7.800 7.800 7.301 0.499 25476 4470 1 7 . 1 1 81 81 ASN N N 81 117.680 117.680 118.600 -0.920 25476 4471 1 7 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.509 0.201 25476 4472 1 7 . 1 1 81 81 ASN C C 81 174.110 174.110 175.036 -0.926 25476 4473 1 7 . 1 1 81 81 ASN CA C 81 51.160 51.160 52.050 -0.890 25476 4474 1 7 . 1 1 81 81 ASN CB C 81 40.160 40.160 38.678 1.482 25476 4475 1 7 . 1 1 81 81 ASN H H 81 7.560 7.560 7.835 -0.275 25476 4476 1 7 . 1 1 82 82 TRP N N 82 122.870 122.870 123.950 -1.080 25476 4477 1 7 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.306 0.844 25476 4478 1 7 . 1 1 82 82 TRP C C 82 177.480 177.480 176.769 0.711 25476 4479 1 7 . 1 1 82 82 TRP CA C 82 57.260 57.260 57.643 -0.383 25476 4480 1 7 . 1 1 82 82 TRP H H 82 8.480 8.480 8.253 0.227 25476 4481 1 7 . 1 1 83 83 THR N N 83 118.050 118.050 121.399 -3.349 25476 4482 1 7 . 1 1 83 83 THR HA H 83 4.820 4.820 4.793 0.027 25476 4483 1 7 . 1 1 83 83 THR C C 83 173.630 173.630 173.356 0.274 25476 4484 1 7 . 1 1 83 83 THR CA C 83 60.470 60.470 62.263 -1.793 25476 4485 1 7 . 1 1 83 83 THR CB C 83 72.050 72.050 70.759 1.291 25476 4486 1 7 . 1 1 83 83 THR H H 83 9.280 9.280 8.958 0.322 25476 4487 1 7 . 1 1 84 84 VAL N N 84 125.990 125.990 124.155 1.835 25476 4488 1 7 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.487 0.043 25476 4489 1 7 . 1 1 84 84 VAL C C 84 175.440 175.440 175.194 0.246 25476 4490 1 7 . 1 1 84 84 VAL CA C 84 64.280 64.280 62.160 2.120 25476 4491 1 7 . 1 1 84 84 VAL CB C 84 31.630 31.630 32.010 -0.380 25476 4492 1 7 . 1 1 84 84 VAL H H 84 9.100 9.100 8.578 0.522 25476 4493 1 7 . 1 1 85 85 VAL N N 85 124.640 124.640 124.994 -0.354 25476 4494 1 7 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.821 0.149 25476 4495 1 7 . 1 1 85 85 VAL CA C 85 58.050 58.050 58.683 -0.633 25476 4496 1 7 . 1 1 85 85 VAL CB C 85 35.190 35.190 33.404 1.786 25476 4497 1 7 . 1 1 85 85 VAL H H 85 7.430 7.430 8.278 -0.848 25476 4498 1 7 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.557 -0.077 25476 4499 1 7 . 1 1 86 86 PRO C C 86 175.970 175.970 176.222 -0.252 25476 4500 1 7 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.826 0.094 25476 4501 1 7 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.325 -0.395 25476 4502 1 7 . 1 1 87 87 ILE N N 87 123.980 123.980 122.617 1.363 25476 4503 1 7 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.918 0.002 25476 4504 1 7 . 1 1 87 87 ILE C C 87 175.510 175.510 175.606 -0.096 25476 4505 1 7 . 1 1 87 87 ILE CA C 87 60.120 60.120 60.127 -0.007 25476 4506 1 7 . 1 1 87 87 ILE CB C 87 37.550 37.550 37.371 0.179 25476 4507 1 7 . 1 1 87 87 ILE H H 87 8.500 8.500 8.215 0.285 25476 4508 1 7 . 1 1 88 88 ASN N N 88 119.050 119.050 125.615 -6.565 25476 4509 1 7 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.789 -0.429 25476 4510 1 7 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.375 -0.165 25476 4511 1 7 . 1 1 88 88 ASN CB C 88 37.740 37.740 40.409 -2.669 25476 4512 1 7 . 1 1 88 88 ASN H H 88 8.390 8.390 8.492 -0.102 25476 4513 1 7 . 1 1 90 90 THR HA H 90 3.800 3.800 3.933 -0.133 25476 4514 1 7 . 1 1 90 90 THR C C 90 175.860 175.860 175.773 0.087 25476 4515 1 7 . 1 1 90 90 THR CA C 90 66.300 66.300 65.860 0.440 25476 4516 1 7 . 1 1 90 90 THR CB C 90 68.380 68.380 68.809 -0.429 25476 4517 1 7 . 1 1 91 91 GLU N N 91 120.430 120.430 119.745 0.685 25476 4518 1 7 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.086 0.024 25476 4519 1 7 . 1 1 91 91 GLU C C 91 179.320 179.320 178.821 0.499 25476 4520 1 7 . 1 1 91 91 GLU CA C 91 59.460 59.460 58.987 0.473 25476 4521 1 7 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.872 0.168 25476 4522 1 7 . 1 1 91 91 GLU H H 91 9.440 9.440 8.740 0.700 25476 4523 1 7 . 1 1 92 92 VAL N N 92 119.810 119.810 119.864 -0.054 25476 4524 1 7 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.859 -0.239 25476 4525 1 7 . 1 1 92 92 VAL C C 92 177.270 177.270 177.861 -0.591 25476 4526 1 7 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.776 0.174 25476 4527 1 7 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.531 -0.051 25476 4528 1 7 . 1 1 92 92 VAL H H 92 7.010 7.010 7.851 -0.841 25476 4529 1 7 . 1 1 93 93 VAL N N 93 120.570 120.570 120.912 -0.342 25476 4530 1 7 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.610 -0.320 25476 4531 1 7 . 1 1 93 93 VAL C C 93 177.970 177.970 178.179 -0.209 25476 4532 1 7 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.222 1.128 25476 4533 1 7 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.240 0.220 25476 4534 1 7 . 1 1 93 93 VAL H H 93 7.720 7.720 7.386 0.334 25476 4535 1 7 . 1 1 94 94 GLU N N 94 118.100 118.100 118.290 -0.190 25476 4536 1 7 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.127 -0.017 25476 4537 1 7 . 1 1 94 94 GLU C C 94 179.420 179.420 179.233 0.187 25476 4538 1 7 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.365 0.285 25476 4539 1 7 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.159 0.231 25476 4540 1 7 . 1 1 94 94 GLU H H 94 8.320 8.320 8.032 0.288 25476 4541 1 7 . 1 1 95 95 ARG N N 95 120.330 120.330 120.505 -0.175 25476 4542 1 7 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.247 0.123 25476 4543 1 7 . 1 1 95 95 ARG C C 95 179.510 179.510 178.840 0.670 25476 4544 1 7 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.268 -0.728 25476 4545 1 7 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.586 0.034 25476 4546 1 7 . 1 1 95 95 ARG H H 95 7.350 7.350 7.769 -0.419 25476 4547 1 7 . 1 1 96 96 LEU N N 96 124.600 124.600 120.298 4.302 25476 4548 1 7 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.462 -0.632 25476 4549 1 7 . 1 1 96 96 LEU C C 96 177.600 177.600 179.578 -1.978 25476 4550 1 7 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.697 1.593 25476 4551 1 7 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.161 -1.561 25476 4552 1 7 . 1 1 96 96 LEU H H 96 8.600 8.600 7.830 0.770 25476 4553 1 7 . 1 1 97 97 GLU N N 97 118.190 118.190 120.269 -2.079 25476 4554 1 7 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.138 -0.398 25476 4555 1 7 . 1 1 97 97 GLU C C 97 177.630 177.630 179.067 -1.437 25476 4556 1 7 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.739 0.701 25476 4557 1 7 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.682 -1.462 25476 4558 1 7 . 1 1 97 97 GLU H H 97 8.540 8.540 7.971 0.569 25476 4559 1 7 . 1 1 98 98 TYR N N 98 119.160 119.160 120.060 -0.900 25476 4560 1 7 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.290 -0.220 25476 4561 1 7 . 1 1 98 98 TYR C C 98 179.010 179.010 177.395 1.615 25476 4562 1 7 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.762 0.358 25476 4563 1 7 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.828 -0.038 25476 4564 1 7 . 1 1 98 98 TYR H H 98 8.380 8.380 7.906 0.474 25476 4565 1 7 . 1 1 99 99 THR N N 99 109.220 109.220 115.670 -6.450 25476 4566 1 7 . 1 1 99 99 THR HA H 99 4.310 4.310 4.058 0.252 25476 4567 1 7 . 1 1 99 99 THR C C 99 178.320 178.320 176.723 1.597 25476 4568 1 7 . 1 1 99 99 THR CA C 99 64.890 64.890 66.861 -1.971 25476 4569 1 7 . 1 1 99 99 THR CB C 99 69.810 69.810 69.035 0.775 25476 4570 1 7 . 1 1 99 99 THR H H 99 8.480 8.480 8.087 0.393 25476 4571 1 7 . 1 1 100 100 LEU N N 100 128.250 128.250 119.855 8.395 25476 4572 1 7 . 1 1 100 100 LEU HA H 100 3.540 3.540 3.799 -0.259 25476 4573 1 7 . 1 1 100 100 LEU C C 100 177.870 177.870 178.330 -0.460 25476 4574 1 7 . 1 1 100 100 LEU CA C 100 58.200 58.200 57.836 0.364 25476 4575 1 7 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.910 0.550 25476 4576 1 7 . 1 1 100 100 LEU H H 100 8.200 8.200 7.795 0.405 25476 4577 1 7 . 1 1 101 101 ARG N N 101 118.550 118.550 119.082 -0.532 25476 4578 1 7 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.991 -0.381 25476 4579 1 7 . 1 1 101 101 ARG C C 101 178.930 178.930 179.012 -0.082 25476 4580 1 7 . 1 1 101 101 ARG CA C 101 60.460 60.460 58.800 1.660 25476 4581 1 7 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.578 -0.288 25476 4582 1 7 . 1 1 101 101 ARG H H 101 8.440 8.440 7.983 0.457 25476 4583 1 7 . 1 1 102 102 GLU N N 102 119.760 119.760 118.688 1.072 25476 4584 1 7 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.040 -0.120 25476 4585 1 7 . 1 1 102 102 GLU C C 102 178.360 178.360 178.674 -0.314 25476 4586 1 7 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.111 0.839 25476 4587 1 7 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.119 0.901 25476 4588 1 7 . 1 1 102 102 GLU H H 102 7.970 7.970 7.912 0.058 25476 4589 1 7 . 1 1 103 103 PHE N N 103 119.570 119.570 121.704 -2.134 25476 4590 1 7 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.019 -0.099 25476 4591 1 7 . 1 1 103 103 PHE C C 103 175.350 175.350 176.606 -1.256 25476 4592 1 7 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.443 -0.643 25476 4593 1 7 . 1 1 103 103 PHE CB C 103 39.540 39.540 38.887 0.653 25476 4594 1 7 . 1 1 103 103 PHE H H 103 7.630 7.630 8.214 -0.584 25476 4595 1 7 . 1 1 104 104 HIS N N 104 119.160 119.160 118.330 0.830 25476 4596 1 7 . 1 1 104 104 HIS HA H 104 3.030 3.030 3.624 -0.594 25476 4597 1 7 . 1 1 104 104 HIS C C 104 175.460 175.460 177.166 -1.706 25476 4598 1 7 . 1 1 104 104 HIS CA C 104 60.710 60.710 59.725 0.985 25476 4599 1 7 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.738 1.992 25476 4600 1 7 . 1 1 104 104 HIS H H 104 8.800 8.800 7.760 1.040 25476 4601 1 7 . 1 1 105 105 GLU N N 105 117.900 117.900 119.038 -1.138 25476 4602 1 7 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.828 -0.388 25476 4603 1 7 . 1 1 105 105 GLU C C 105 177.990 177.990 178.574 -0.584 25476 4604 1 7 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.456 0.154 25476 4605 1 7 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.703 -0.403 25476 4606 1 7 . 1 1 105 105 GLU H H 105 7.890 7.890 7.577 0.313 25476 4607 1 7 . 1 1 106 106 LYS N N 106 117.260 117.260 118.646 -1.386 25476 4608 1 7 . 1 1 106 106 LYS HA H 106 3.970 3.970 3.971 -0.001 25476 4609 1 7 . 1 1 106 106 LYS C C 106 179.570 179.570 178.799 0.771 25476 4610 1 7 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.877 -0.167 25476 4611 1 7 . 1 1 106 106 LYS CB C 106 32.780 32.780 31.989 0.791 25476 4612 1 7 . 1 1 106 106 LYS H H 106 6.870 6.870 7.643 -0.773 25476 4613 1 7 . 1 1 107 107 LEU N N 107 123.180 123.180 121.298 1.882 25476 4614 1 7 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.808 -0.358 25476 4615 1 7 . 1 1 107 107 LEU C C 107 177.170 177.170 178.449 -1.279 25476 4616 1 7 . 1 1 107 107 LEU CA C 107 57.340 57.340 57.026 0.313 25476 4617 1 7 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.388 0.852 25476 4618 1 7 . 1 1 107 107 LEU H H 107 8.020 8.020 7.541 0.479 25476 4619 1 7 . 1 1 108 108 ARG N N 108 120.070 120.070 118.992 1.078 25476 4620 1 7 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.697 -0.287 25476 4621 1 7 . 1 1 108 108 ARG C C 108 178.460 178.460 178.449 0.011 25476 4622 1 7 . 1 1 108 108 ARG CA C 108 59.640 59.640 59.504 0.136 25476 4623 1 7 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.380 -0.170 25476 4624 1 7 . 1 1 108 108 ARG H H 108 8.680 8.680 7.445 1.235 25476 4625 1 7 . 1 1 109 109 ASP N N 109 119.480 119.480 119.279 0.201 25476 4626 1 7 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.339 -0.029 25476 4627 1 7 . 1 1 109 109 ASP C C 109 178.900 178.900 178.467 0.433 25476 4628 1 7 . 1 1 109 109 ASP CA C 109 57.140 57.140 56.884 0.256 25476 4629 1 7 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.596 -0.726 25476 4630 1 7 . 1 1 109 109 ASP H H 109 7.890 7.890 7.393 0.497 25476 4631 1 7 . 1 1 110 110 LEU N N 110 122.740 122.740 121.216 1.524 25476 4632 1 7 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.904 0.196 25476 4633 1 7 . 1 1 110 110 LEU C C 110 179.830 179.830 178.405 1.425 25476 4634 1 7 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.971 -0.291 25476 4635 1 7 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.941 -0.651 25476 4636 1 7 . 1 1 110 110 LEU H H 110 7.650 7.650 7.356 0.294 25476 4637 1 7 . 1 1 111 111 LEU N N 111 122.170 122.170 118.025 4.145 25476 4638 1 7 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.665 0.165 25476 4639 1 7 . 1 1 111 111 LEU C C 111 179.990 179.990 178.980 1.010 25476 4640 1 7 . 1 1 111 111 LEU CA C 111 58.610 58.610 57.669 0.941 25476 4641 1 7 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.392 -2.012 25476 4642 1 7 . 1 1 111 111 LEU H H 111 8.320 8.320 7.901 0.419 25476 4643 1 7 . 1 1 112 112 ILE N N 112 122.490 122.490 118.705 3.785 25476 4644 1 7 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.657 0.313 25476 4645 1 7 . 1 1 112 112 ILE C C 112 180.930 180.930 178.006 2.924 25476 4646 1 7 . 1 1 112 112 ILE CA C 112 64.660 64.660 64.868 -0.208 25476 4647 1 7 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.740 -0.420 25476 4648 1 7 . 1 1 112 112 ILE H H 112 8.790 8.790 7.712 1.078 25476 4649 1 7 . 1 1 113 113 SER N N 113 119.860 119.860 114.634 5.226 25476 4650 1 7 . 1 1 113 113 SER HA H 113 4.400 4.400 4.195 0.205 25476 4651 1 7 . 1 1 113 113 SER C C 113 174.520 174.520 175.850 -1.330 25476 4652 1 7 . 1 1 113 113 SER CA C 113 61.390 61.390 60.808 0.582 25476 4653 1 7 . 1 1 113 113 SER CB C 113 62.630 62.630 63.244 -0.614 25476 4654 1 7 . 1 1 113 113 SER H H 113 7.720 7.720 7.675 0.045 25476 4655 1 7 . 1 1 114 114 MET N N 114 121.890 121.890 114.938 6.952 25476 4656 1 7 . 1 1 114 114 MET HA H 114 4.530 4.530 4.604 -0.074 25476 4657 1 7 . 1 1 114 114 MET C C 114 173.850 173.850 175.153 -1.303 25476 4658 1 7 . 1 1 114 114 MET CA C 114 55.330 55.330 55.291 0.039 25476 4659 1 7 . 1 1 114 114 MET CB C 114 34.040 34.040 33.391 0.650 25476 4660 1 7 . 1 1 114 114 MET H H 114 7.480 7.480 7.187 0.293 25476 4661 1 7 . 1 1 115 115 GLU N N 115 114.160 114.160 115.997 -1.837 25476 4662 1 7 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.941 -0.041 25476 4663 1 7 . 1 1 115 115 GLU C C 115 174.880 174.880 175.146 -0.266 25476 4664 1 7 . 1 1 115 115 GLU CA C 115 57.270 57.270 56.949 0.321 25476 4665 1 7 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.395 -0.885 25476 4666 1 7 . 1 1 115 115 GLU H H 115 8.110 8.110 7.468 0.642 25476 4667 1 7 . 1 1 116 116 LEU N N 116 119.870 119.870 120.704 -0.834 25476 4668 1 7 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.477 0.183 25476 4669 1 7 . 1 1 116 116 LEU C C 116 174.910 174.910 176.109 -1.199 25476 4670 1 7 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.268 -0.168 25476 4671 1 7 . 1 1 116 116 LEU CB C 116 45.570 45.570 42.290 3.280 25476 4672 1 7 . 1 1 116 116 LEU H H 116 7.970 7.970 8.086 -0.116 25476 4673 1 7 . 1 1 117 117 ALA N N 117 123.730 123.730 127.872 -4.142 25476 4674 1 7 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.343 0.107 25476 4675 1 7 . 1 1 117 117 ALA C C 117 174.870 174.870 175.634 -0.764 25476 4676 1 7 . 1 1 117 117 ALA CA C 117 50.870 50.870 51.750 -0.880 25476 4677 1 7 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.171 0.529 25476 4678 1 7 . 1 1 117 117 ALA H H 117 7.530 7.530 8.639 -1.109 25476 4679 1 7 . 1 1 118 118 LEU N N 118 121.610 121.610 120.605 1.005 25476 4680 1 7 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.555 -0.075 25476 4681 1 7 . 1 1 118 118 LEU C C 118 175.560 175.560 176.537 -0.977 25476 4682 1 7 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.494 -0.654 25476 4683 1 7 . 1 1 118 118 LEU CB C 118 43.490 43.490 45.386 -1.896 25476 4684 1 7 . 1 1 118 118 LEU H H 118 8.250 8.250 8.271 -0.021 25476 4685 1 7 . 1 1 119 119 GLU N N 119 127.300 127.300 125.261 2.039 25476 4686 1 7 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.922 0.198 25476 4687 1 7 . 1 1 119 119 GLU C C 119 171.510 171.510 173.816 -2.306 25476 4688 1 7 . 1 1 119 119 GLU CA C 119 52.970 52.970 54.336 -1.365 25476 4689 1 7 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.651 0.219 25476 4690 1 7 . 1 1 119 119 GLU H H 119 8.730 8.730 8.482 0.248 25476 4691 1 7 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.551 0.019 25476 4692 1 7 . 1 1 120 120 PRO C C 120 176.420 176.420 176.430 -0.010 25476 4693 1 7 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.603 -0.843 25476 4694 1 7 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.377 0.013 25476 4695 1 7 . 1 1 121 121 SER N N 121 117.040 117.040 114.686 2.354 25476 4696 1 7 . 1 1 121 121 SER HA H 121 4.060 4.060 4.594 -0.534 25476 4697 1 7 . 1 1 121 121 SER C C 121 175.150 175.150 176.007 -0.857 25476 4698 1 7 . 1 1 121 121 SER CA C 121 59.230 59.230 57.440 1.790 25476 4699 1 7 . 1 1 121 121 SER CB C 121 62.970 62.970 64.323 -1.353 25476 4700 1 7 . 1 1 121 121 SER H H 121 8.690 8.690 8.250 0.440 25476 4701 1 7 . 1 1 122 122 ASP N N 122 124.140 124.140 124.572 -0.432 25476 4702 1 7 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.405 -0.035 25476 4703 1 7 . 1 1 122 122 ASP C C 122 176.240 176.240 176.361 -0.121 25476 4704 1 7 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.418 0.682 25476 4705 1 7 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.552 -0.362 25476 4706 1 7 . 1 1 122 122 ASP H H 122 8.830 8.830 9.016 -0.186 25476 4707 1 7 . 1 1 123 123 ASP N N 123 115.720 115.720 119.079 -3.359 25476 4708 1 7 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.646 -0.026 25476 4709 1 7 . 1 1 123 123 ASP C C 123 174.850 174.850 175.917 -1.067 25476 4710 1 7 . 1 1 123 123 ASP CA C 123 52.790 52.790 54.959 -2.168 25476 4711 1 7 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.949 -0.679 25476 4712 1 7 . 1 1 123 123 ASP H H 123 8.210 8.210 8.443 -0.233 25476 4713 1 7 . 1 1 124 124 PHE N N 124 122.440 122.440 119.699 2.741 25476 4714 1 7 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.528 0.502 25476 4715 1 7 . 1 1 124 124 PHE C C 124 174.040 174.040 174.754 -0.714 25476 4716 1 7 . 1 1 124 124 PHE CA C 124 56.040 56.040 58.025 -1.985 25476 4717 1 7 . 1 1 124 124 PHE CB C 124 42.170 42.170 40.985 1.185 25476 4718 1 7 . 1 1 124 124 PHE H H 124 8.060 8.060 7.855 0.205 25476 4719 1 7 . 1 1 125 125 ASN N N 125 126.850 126.850 120.121 6.729 25476 4720 1 7 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.841 -0.101 25476 4721 1 7 . 1 1 125 125 ASN C C 125 175.070 175.070 174.602 0.468 25476 4722 1 7 . 1 1 125 125 ASN CA C 125 53.430 53.430 52.796 0.634 25476 4723 1 7 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.889 -0.159 25476 4724 1 7 . 1 1 125 125 ASN H H 125 7.700 7.700 8.405 -0.705 25476 4725 1 7 . 1 1 126 126 ASP N N 126 120.330 120.330 121.435 -1.105 25476 4726 1 7 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.814 -0.684 25476 4727 1 7 . 1 1 126 126 ASP C C 126 176.280 176.280 175.026 1.254 25476 4728 1 7 . 1 1 126 126 ASP CA C 126 56.030 56.030 54.377 1.653 25476 4729 1 7 . 1 1 126 126 ASP CB C 126 39.100 39.100 39.502 -0.402 25476 4730 1 7 . 1 1 126 126 ASP H H 126 7.300 7.300 8.626 -1.326 25476 4731 1 7 . 1 1 127 127 GLU N N 127 127.840 127.840 122.930 4.910 25476 4732 1 7 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.572 -0.212 25476 4733 1 7 . 1 1 127 127 GLU CA C 127 55.470 55.470 54.702 0.769 25476 4734 1 7 . 1 1 127 127 GLU H H 127 8.320 8.320 8.116 0.204 25476 4735 1 7 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.547 0.123 25476 4736 1 7 . 1 1 128 128 PRO C C 128 176.010 176.010 176.361 -0.351 25476 4737 1 7 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.447 1.183 25476 4738 1 7 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.728 -0.788 25476 4739 1 7 . 1 1 129 129 VAL N N 129 122.940 122.940 116.516 6.424 25476 4740 1 7 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.924 0.066 25476 4741 1 7 . 1 1 129 129 VAL C C 129 173.650 173.650 175.911 -2.261 25476 4742 1 7 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.700 -1.720 25476 4743 1 7 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.242 -0.112 25476 4744 1 7 . 1 1 129 129 VAL H H 129 7.990 7.990 7.932 0.058 25476 4745 1 7 . 1 1 130 130 LYS N N 130 124.620 124.620 126.879 -2.259 25476 4746 1 7 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.284 0.226 25476 4747 1 7 . 1 1 130 130 LYS C C 130 174.900 174.900 176.570 -1.670 25476 4748 1 7 . 1 1 130 130 LYS CA C 130 53.150 53.150 55.899 -2.749 25476 4749 1 7 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.337 3.173 25476 4750 1 7 . 1 1 130 130 LYS H H 130 8.240 8.240 8.245 -0.005 25476 4751 1 7 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.178 -0.378 25476 4752 1 7 . 1 1 131 131 LEU C C 131 178.400 178.400 177.671 0.729 25476 4753 1 7 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.609 -0.559 25476 4754 1 7 . 1 1 131 131 LEU CB C 131 40.800 40.800 42.494 -1.694 25476 4755 1 7 . 1 1 132 132 SER N N 132 115.550 115.550 114.578 0.972 25476 4756 1 7 . 1 1 132 132 SER HA H 132 4.610 4.610 4.542 0.068 25476 4757 1 7 . 1 1 132 132 SER C C 132 172.970 172.970 174.247 -1.277 25476 4758 1 7 . 1 1 132 132 SER CA C 132 58.620 58.620 57.490 1.130 25476 4759 1 7 . 1 1 132 132 SER CB C 132 63.310 63.310 62.226 1.084 25476 4760 1 7 . 1 1 132 132 SER H H 132 9.070 9.070 8.092 0.978 25476 4761 1 8 . 1 1 2 2 THR N N 2 118.280 118.280 115.397 2.883 25476 4762 1 8 . 1 1 2 2 THR HA H 2 4.550 4.550 4.551 -0.001 25476 4763 1 8 . 1 1 2 2 THR C C 2 174.150 174.150 174.950 -0.800 25476 4764 1 8 . 1 1 2 2 THR CA C 2 61.600 61.600 61.504 0.096 25476 4765 1 8 . 1 1 2 2 THR CB C 2 69.970 69.970 70.032 -0.062 25476 4766 1 8 . 1 1 2 2 THR H H 2 8.470 8.470 8.111 0.359 25476 4767 1 8 . 1 1 3 3 LEU N N 3 125.130 125.130 121.510 3.620 25476 4768 1 8 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.514 0.146 25476 4769 1 8 . 1 1 3 3 LEU C C 3 176.690 176.690 178.137 -1.447 25476 4770 1 8 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.729 -0.189 25476 4771 1 8 . 1 1 3 3 LEU CB C 3 40.050 40.050 41.078 -1.028 25476 4772 1 8 . 1 1 3 3 LEU H H 3 8.580 8.580 8.140 0.440 25476 4773 1 8 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.332 0.028 25476 4774 1 8 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.753 0.717 25476 4775 1 8 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.710 0.180 25476 4776 1 8 . 1 1 5 5 SER HA H 5 4.580 4.580 4.326 0.254 25476 4777 1 8 . 1 1 5 5 SER C C 5 175.510 175.510 175.256 0.254 25476 4778 1 8 . 1 1 5 5 SER CA C 5 59.410 59.410 58.980 0.430 25476 4779 1 8 . 1 1 5 5 SER CB C 5 63.110 63.110 63.107 0.003 25476 4780 1 8 . 1 1 6 6 GLY N N 6 112.010 112.010 109.688 2.322 25476 4781 1 8 . 1 1 6 6 GLY C C 6 173.300 173.300 174.480 -1.180 25476 4782 1 8 . 1 1 6 6 GLY CA C 6 44.530 44.530 44.995 -0.466 25476 4783 1 8 . 1 1 6 6 GLY H H 6 8.620 8.620 7.656 0.964 25476 4784 1 8 . 1 1 7 7 HIS N N 7 119.440 119.440 121.496 -2.056 25476 4785 1 8 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.973 -0.293 25476 4786 1 8 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.673 2.667 25476 4787 1 8 . 1 1 7 7 HIS CB C 7 31.030 31.030 31.071 -0.041 25476 4788 1 8 . 1 1 7 7 HIS H H 7 7.170 7.170 7.762 -0.592 25476 4789 1 8 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.541 0.249 25476 4790 1 8 . 1 1 8 8 PRO C C 8 178.140 178.140 177.074 1.066 25476 4791 1 8 . 1 1 8 8 PRO CA C 8 62.850 62.850 62.965 -0.115 25476 4792 1 8 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.750 -0.770 25476 4793 1 8 . 1 1 9 9 LYS N N 9 127.570 127.570 126.144 1.426 25476 4794 1 8 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.140 0.030 25476 4795 1 8 . 1 1 9 9 LYS C C 9 178.050 178.050 178.496 -0.446 25476 4796 1 8 . 1 1 9 9 LYS CA C 9 60.830 60.830 59.572 1.258 25476 4797 1 8 . 1 1 9 9 LYS H H 9 9.000 9.000 8.712 0.288 25476 4798 1 8 . 1 1 10 10 SER N N 10 113.610 113.610 115.967 -2.357 25476 4799 1 8 . 1 1 10 10 SER HA H 10 4.120 4.120 4.355 -0.235 25476 4800 1 8 . 1 1 10 10 SER C C 10 176.750 176.750 176.733 0.017 25476 4801 1 8 . 1 1 10 10 SER CA C 10 61.050 61.050 61.366 -0.316 25476 4802 1 8 . 1 1 10 10 SER H H 10 9.170 9.170 8.491 0.679 25476 4803 1 8 . 1 1 11 11 ARG N N 11 122.220 122.220 121.948 0.272 25476 4804 1 8 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.159 -0.009 25476 4805 1 8 . 1 1 11 11 ARG C C 11 177.890 177.890 178.663 -0.773 25476 4806 1 8 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.508 -0.228 25476 4807 1 8 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.517 0.493 25476 4808 1 8 . 1 1 11 11 ARG H H 11 7.100 7.100 8.406 -1.306 25476 4809 1 8 . 1 1 12 12 LEU N N 12 121.360 121.360 120.747 0.613 25476 4810 1 8 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.841 -0.271 25476 4811 1 8 . 1 1 12 12 LEU C C 12 177.890 177.890 178.289 -0.399 25476 4812 1 8 . 1 1 12 12 LEU CA C 12 56.000 56.000 57.762 -1.762 25476 4813 1 8 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.369 -1.929 25476 4814 1 8 . 1 1 12 12 LEU H H 12 7.220 7.220 7.612 -0.392 25476 4815 1 8 . 1 1 13 13 ILE N N 13 118.920 118.920 120.481 -1.561 25476 4816 1 8 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.858 -0.088 25476 4817 1 8 . 1 1 13 13 ILE C C 13 179.060 179.060 178.752 0.308 25476 4818 1 8 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.988 0.142 25476 4819 1 8 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.953 -0.522 25476 4820 1 8 . 1 1 13 13 ILE H H 13 8.590 8.590 8.022 0.568 25476 4821 1 8 . 1 1 14 14 LYS N N 14 121.950 121.950 118.874 3.076 25476 4822 1 8 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.144 -0.014 25476 4823 1 8 . 1 1 14 14 LYS C C 14 179.810 179.810 178.827 0.983 25476 4824 1 8 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.883 1.177 25476 4825 1 8 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.083 -0.003 25476 4826 1 8 . 1 1 14 14 LYS H H 14 7.730 7.730 7.876 -0.146 25476 4827 1 8 . 1 1 15 15 LYS N N 15 119.750 119.750 119.037 0.713 25476 4828 1 8 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.977 0.143 25476 4829 1 8 . 1 1 15 15 LYS C C 15 179.700 179.700 179.304 0.396 25476 4830 1 8 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.176 -0.446 25476 4831 1 8 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.416 -0.466 25476 4832 1 8 . 1 1 15 15 LYS H H 15 7.800 7.800 7.560 0.240 25476 4833 1 8 . 1 1 16 16 PHE N N 16 117.660 117.660 118.850 -1.190 25476 4834 1 8 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.172 0.588 25476 4835 1 8 . 1 1 16 16 PHE C C 16 180.960 180.960 177.971 2.989 25476 4836 1 8 . 1 1 16 16 PHE CA C 16 56.640 56.640 59.811 -3.171 25476 4837 1 8 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.062 0.737 25476 4838 1 8 . 1 1 16 16 PHE H H 16 9.130 9.130 8.616 0.514 25476 4839 1 8 . 1 1 17 17 THR N N 17 120.130 120.130 115.889 4.241 25476 4840 1 8 . 1 1 17 17 THR HA H 17 4.370 4.370 3.916 0.454 25476 4841 1 8 . 1 1 17 17 THR C C 17 175.550 175.550 176.046 -0.496 25476 4842 1 8 . 1 1 17 17 THR CA C 17 66.840 66.840 66.251 0.589 25476 4843 1 8 . 1 1 17 17 THR CB C 17 68.920 68.920 68.341 0.579 25476 4844 1 8 . 1 1 17 17 THR H H 17 8.940 8.940 7.712 1.228 25476 4845 1 8 . 1 1 18 18 ALA N N 18 122.170 122.170 123.105 -0.935 25476 4846 1 8 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.221 0.159 25476 4847 1 8 . 1 1 18 18 ALA C C 18 178.110 178.110 177.841 0.269 25476 4848 1 8 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.740 -0.350 25476 4849 1 8 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.393 -0.093 25476 4850 1 8 . 1 1 18 18 ALA H H 18 7.310 7.310 7.725 -0.415 25476 4851 1 8 . 1 1 19 19 LEU N N 19 116.080 116.080 116.964 -0.884 25476 4852 1 8 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.418 -0.049 25476 4853 1 8 . 1 1 19 19 LEU C C 19 176.620 176.620 175.836 0.784 25476 4854 1 8 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.187 2.443 25476 4855 1 8 . 1 1 19 19 LEU CB C 19 42.420 42.420 41.904 0.516 25476 4856 1 8 . 1 1 19 19 LEU H H 19 7.580 7.580 7.757 -0.177 25476 4857 1 8 . 1 1 20 20 GLY N N 20 103.280 103.280 106.050 -2.770 25476 4858 1 8 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.731 -0.671 25476 4859 1 8 . 1 1 20 20 GLY H H 20 7.650 7.650 7.178 0.472 25476 4860 1 8 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.253 0.617 25476 4861 1 8 . 1 1 21 21 PRO C C 21 174.850 174.850 176.161 -1.311 25476 4862 1 8 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.249 0.891 25476 4863 1 8 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.273 -3.373 25476 4864 1 8 . 1 1 22 22 TYR N N 22 120.690 120.690 117.989 2.701 25476 4865 1 8 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.300 0.880 25476 4866 1 8 . 1 1 22 22 TYR C C 22 176.340 176.340 176.771 -0.431 25476 4867 1 8 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.096 -1.316 25476 4868 1 8 . 1 1 22 22 TYR CB C 22 41.500 41.500 37.655 3.845 25476 4869 1 8 . 1 1 22 22 TYR H H 22 7.680 7.680 8.140 -0.460 25476 4870 1 8 . 1 1 23 23 ILE N N 23 119.130 119.130 122.986 -3.856 25476 4871 1 8 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.064 0.056 25476 4872 1 8 . 1 1 23 23 ILE C C 23 174.210 174.210 176.504 -2.294 25476 4873 1 8 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.878 -0.048 25476 4874 1 8 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.303 0.197 25476 4875 1 8 . 1 1 23 23 ILE H H 23 8.860 8.860 8.377 0.483 25476 4876 1 8 . 1 1 24 24 ARG N N 24 126.540 126.540 127.864 -1.324 25476 4877 1 8 . 1 1 24 24 ARG C C 24 177.290 177.290 176.554 0.736 25476 4878 1 8 . 1 1 24 24 ARG CA C 24 52.090 52.090 56.591 -4.501 25476 4879 1 8 . 1 1 24 24 ARG H H 24 8.100 8.100 8.959 -0.859 25476 4880 1 8 . 1 1 25 25 GLU N N 25 126.990 126.990 124.652 2.338 25476 4881 1 8 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.299 -0.199 25476 4882 1 8 . 1 1 25 25 GLU C C 25 176.780 176.780 176.412 0.368 25476 4883 1 8 . 1 1 25 25 GLU CA C 25 60.860 60.860 57.158 3.701 25476 4884 1 8 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.306 -0.656 25476 4885 1 8 . 1 1 25 25 GLU H H 25 9.400 9.400 8.777 0.623 25476 4886 1 8 . 1 1 26 26 GLY N N 26 109.830 109.830 105.900 3.930 25476 4887 1 8 . 1 1 26 26 GLY C C 26 174.380 174.380 174.387 -0.007 25476 4888 1 8 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.675 0.845 25476 4889 1 8 . 1 1 26 26 GLY H H 26 8.070 8.070 8.047 0.023 25476 4890 1 8 . 1 1 27 27 GLN N N 27 117.670 117.670 119.166 -1.496 25476 4891 1 8 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.390 -0.080 25476 4892 1 8 . 1 1 27 27 GLN C C 27 175.350 175.350 176.085 -0.735 25476 4893 1 8 . 1 1 27 27 GLN CA C 27 55.320 55.320 56.070 -0.750 25476 4894 1 8 . 1 1 27 27 GLN CB C 27 29.340 29.340 29.063 0.277 25476 4895 1 8 . 1 1 27 27 GLN H H 27 7.690 7.690 8.479 -0.789 25476 4896 1 8 . 1 1 28 28 CYS N N 28 119.770 119.770 121.680 -1.910 25476 4897 1 8 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.623 -0.083 25476 4898 1 8 . 1 1 28 28 CYS C C 28 173.480 173.480 174.941 -1.461 25476 4899 1 8 . 1 1 28 28 CYS CA C 28 58.810 58.810 58.258 0.552 25476 4900 1 8 . 1 1 28 28 CYS CB C 28 27.070 27.070 28.003 -0.933 25476 4901 1 8 . 1 1 28 28 CYS H H 28 7.510 7.510 7.787 -0.277 25476 4902 1 8 . 1 1 29 29 GLU N N 29 124.370 124.370 120.924 3.446 25476 4903 1 8 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.064 0.476 25476 4904 1 8 . 1 1 29 29 GLU C C 29 174.810 174.810 176.249 -1.439 25476 4905 1 8 . 1 1 29 29 GLU CA C 29 55.560 55.560 57.298 -1.738 25476 4906 1 8 . 1 1 29 29 GLU CB C 29 30.030 30.030 29.943 0.087 25476 4907 1 8 . 1 1 29 29 GLU H H 29 7.840 7.840 8.231 -0.391 25476 4908 1 8 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.643 -0.063 25476 4909 1 8 . 1 1 31 31 ASN CA C 31 53.450 53.450 54.559 -1.109 25476 4910 1 8 . 1 1 31 31 ASN CB C 31 39.200 39.200 39.395 -0.195 25476 4911 1 8 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.623 0.887 25476 4912 1 8 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.610 0.440 25476 4913 1 8 . 1 1 32 32 ARG CB C 32 33.480 33.480 32.431 1.049 25476 4914 1 8 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.435 0.805 25476 4915 1 8 . 1 1 34 34 PHE C C 34 172.210 172.210 173.763 -1.553 25476 4916 1 8 . 1 1 34 34 PHE CA C 34 57.690 57.690 57.285 0.405 25476 4917 1 8 . 1 1 34 34 PHE CB C 34 44.100 44.100 42.511 1.589 25476 4918 1 8 . 1 1 35 35 PHE N N 35 125.800 125.800 120.877 4.923 25476 4919 1 8 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.808 0.362 25476 4920 1 8 . 1 1 35 35 PHE C C 35 173.110 173.110 174.217 -1.107 25476 4921 1 8 . 1 1 35 35 PHE CA C 35 54.860 54.860 55.018 -0.158 25476 4922 1 8 . 1 1 35 35 PHE CB C 35 43.250 43.250 41.650 1.600 25476 4923 1 8 . 1 1 35 35 PHE H H 35 8.660 8.660 8.205 0.455 25476 4924 1 8 . 1 1 36 36 ASP N N 36 120.960 120.960 120.620 0.340 25476 4925 1 8 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.675 -0.095 25476 4926 1 8 . 1 1 36 36 ASP CA C 36 54.160 54.160 53.143 1.017 25476 4927 1 8 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.261 -0.231 25476 4928 1 8 . 1 1 36 36 ASP H H 36 9.370 9.370 8.558 0.812 25476 4929 1 8 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.591 -0.601 25476 4930 1 8 . 1 1 37 37 CYS C C 37 173.460 173.460 174.444 -0.984 25476 4931 1 8 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.665 -0.055 25476 4932 1 8 . 1 1 37 37 CYS CB C 37 27.170 27.170 28.048 -0.878 25476 4933 1 8 . 1 1 38 38 LEU N N 38 131.890 131.890 127.110 4.780 25476 4934 1 8 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.586 -0.376 25476 4935 1 8 . 1 1 38 38 LEU C C 38 175.570 175.570 176.760 -1.190 25476 4936 1 8 . 1 1 38 38 LEU CA C 38 53.530 53.530 55.176 -1.646 25476 4937 1 8 . 1 1 38 38 LEU CB C 38 37.270 37.270 40.184 -2.914 25476 4938 1 8 . 1 1 38 38 LEU H H 38 8.430 8.430 8.846 -0.416 25476 4939 1 8 . 1 1 39 39 ALA N N 39 127.100 127.100 129.239 -2.139 25476 4940 1 8 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.426 -0.086 25476 4941 1 8 . 1 1 39 39 ALA C C 39 178.500 178.500 177.249 1.251 25476 4942 1 8 . 1 1 39 39 ALA CA C 39 55.380 55.380 53.476 1.904 25476 4943 1 8 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.214 0.896 25476 4944 1 8 . 1 1 39 39 ALA H H 39 7.960 7.960 8.744 -0.784 25476 4945 1 8 . 1 1 40 40 VAL N N 40 116.260 116.260 117.434 -1.174 25476 4946 1 8 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.442 0.177 25476 4947 1 8 . 1 1 40 40 VAL C C 40 173.990 173.990 174.563 -0.573 25476 4948 1 8 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.391 0.549 25476 4949 1 8 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.300 1.180 25476 4950 1 8 . 1 1 40 40 VAL H H 40 8.590 8.590 7.788 0.802 25476 4951 1 8 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.698 -0.818 25476 4952 1 8 . 1 1 41 41 CYS C C 41 174.640 174.640 175.801 -1.161 25476 4953 1 8 . 1 1 41 41 CYS CA C 41 59.280 59.280 58.349 0.931 25476 4954 1 8 . 1 1 41 41 CYS CB C 41 26.700 26.700 28.282 -1.582 25476 4955 1 8 . 1 1 42 42 VAL N N 42 131.320 131.320 129.227 2.093 25476 4956 1 8 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.914 -0.434 25476 4957 1 8 . 1 1 42 42 VAL C C 42 176.270 176.270 176.013 0.257 25476 4958 1 8 . 1 1 42 42 VAL CA C 42 65.390 65.390 64.086 1.304 25476 4959 1 8 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.423 0.417 25476 4960 1 8 . 1 1 42 42 VAL H H 42 8.610 8.610 8.798 -0.188 25476 4961 1 8 . 1 1 43 43 ASN N N 43 116.070 116.070 115.717 0.353 25476 4962 1 8 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.409 0.381 25476 4963 1 8 . 1 1 43 43 ASN C C 43 175.160 175.160 173.546 1.614 25476 4964 1 8 . 1 1 43 43 ASN CA C 43 52.690 52.690 54.253 -1.563 25476 4965 1 8 . 1 1 43 43 ASN CB C 43 39.940 39.940 38.607 1.333 25476 4966 1 8 . 1 1 43 43 ASN H H 43 7.280 7.280 7.811 -0.531 25476 4967 1 8 . 1 1 44 44 VAL N N 44 121.350 121.350 124.632 -3.282 25476 4968 1 8 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.236 -0.116 25476 4969 1 8 . 1 1 44 44 VAL C C 44 175.460 175.460 174.634 0.826 25476 4970 1 8 . 1 1 44 44 VAL CA C 44 61.930 61.930 60.409 1.521 25476 4971 1 8 . 1 1 44 44 VAL CB C 44 31.630 31.630 34.478 -2.848 25476 4972 1 8 . 1 1 44 44 VAL H H 44 8.520 8.520 8.324 0.196 25476 4973 1 8 . 1 1 45 45 LYS N N 45 123.190 123.190 123.409 -0.219 25476 4974 1 8 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.253 -0.043 25476 4975 1 8 . 1 1 45 45 LYS CA C 45 59.080 59.080 57.968 1.112 25476 4976 1 8 . 1 1 45 45 LYS CB C 45 30.500 30.500 31.337 -0.837 25476 4977 1 8 . 1 1 45 45 LYS H H 45 8.100 8.100 8.431 -0.331 25476 4978 1 8 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.410 -0.040 25476 4979 1 8 . 1 1 46 46 PRO C C 46 174.380 174.380 175.779 -1.399 25476 4980 1 8 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.507 0.553 25476 4981 1 8 . 1 1 46 46 PRO CB C 46 31.660 31.660 31.984 -0.324 25476 4982 1 8 . 1 1 47 47 ALA N N 47 124.500 124.500 121.179 3.321 25476 4983 1 8 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.281 0.189 25476 4984 1 8 . 1 1 47 47 ALA C C 47 176.130 176.130 178.096 -1.966 25476 4985 1 8 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.693 -0.953 25476 4986 1 8 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.154 -0.854 25476 4987 1 8 . 1 1 47 47 ALA H H 47 8.300 8.300 8.324 -0.024 25476 4988 1 8 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.345 -0.535 25476 4989 1 8 . 1 1 48 48 PRO C C 48 178.270 178.270 178.224 0.046 25476 4990 1 8 . 1 1 48 48 PRO CA C 48 66.150 66.150 65.040 1.110 25476 4991 1 8 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.040 -0.050 25476 4992 1 8 . 1 1 49 49 GLU N N 49 116.300 116.300 116.051 0.249 25476 4993 1 8 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.034 0.256 25476 4994 1 8 . 1 1 49 49 GLU C C 49 176.550 176.550 176.924 -0.374 25476 4995 1 8 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.399 -0.279 25476 4996 1 8 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.116 0.174 25476 4997 1 8 . 1 1 49 49 GLU H H 49 9.390 9.390 8.820 0.570 25476 4998 1 8 . 1 1 50 50 LYS N N 50 120.030 120.030 117.196 2.834 25476 4999 1 8 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.168 0.292 25476 5000 1 8 . 1 1 50 50 LYS C C 50 175.070 175.070 176.798 -1.728 25476 5001 1 8 . 1 1 50 50 LYS CA C 50 54.670 54.670 56.660 -1.990 25476 5002 1 8 . 1 1 50 50 LYS CB C 50 33.170 33.170 33.054 0.116 25476 5003 1 8 . 1 1 50 50 LYS H H 50 8.350 8.350 7.443 0.907 25476 5004 1 8 . 1 1 51 51 ARG N N 51 119.720 119.720 119.655 0.065 25476 5005 1 8 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.367 -0.067 25476 5006 1 8 . 1 1 51 51 ARG C C 51 174.530 174.530 173.975 0.555 25476 5007 1 8 . 1 1 51 51 ARG CA C 51 56.690 56.690 54.606 2.084 25476 5008 1 8 . 1 1 51 51 ARG CB C 51 32.000 32.000 32.688 -0.688 25476 5009 1 8 . 1 1 51 51 ARG H H 51 7.220 7.220 7.524 -0.304 25476 5010 1 8 . 1 1 52 52 GLU N N 52 119.700 119.700 119.109 0.591 25476 5011 1 8 . 1 1 52 52 GLU HA H 52 4.690 4.690 3.859 0.831 25476 5012 1 8 . 1 1 52 52 GLU C C 52 175.260 175.260 175.392 -0.132 25476 5013 1 8 . 1 1 52 52 GLU CA C 52 54.730 54.730 55.726 -0.996 25476 5014 1 8 . 1 1 52 52 GLU H H 52 8.690 8.690 8.187 0.503 25476 5015 1 8 . 1 1 53 53 PHE N N 53 116.950 116.950 117.568 -0.618 25476 5016 1 8 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.636 0.524 25476 5017 1 8 . 1 1 53 53 PHE C C 53 174.970 174.970 175.009 -0.039 25476 5018 1 8 . 1 1 53 53 PHE CA C 53 56.960 56.960 56.032 0.928 25476 5019 1 8 . 1 1 53 53 PHE CB C 53 44.210 44.210 41.904 2.305 25476 5020 1 8 . 1 1 53 53 PHE H H 53 8.590 8.590 7.396 1.194 25476 5021 1 8 . 1 1 54 54 TRP N N 54 123.100 123.100 119.864 3.236 25476 5022 1 8 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.741 1.159 25476 5023 1 8 . 1 1 54 54 TRP C C 54 177.820 177.820 175.919 1.901 25476 5024 1 8 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.365 -1.125 25476 5025 1 8 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.868 1.002 25476 5026 1 8 . 1 1 54 54 TRP H H 54 9.520 9.520 8.765 0.755 25476 5027 1 8 . 1 1 55 55 GLY N N 55 110.840 110.840 110.578 0.262 25476 5028 1 8 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.151 2.089 25476 5029 1 8 . 1 1 55 55 GLY H H 55 9.550 9.550 8.316 1.234 25476 5030 1 8 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.846 0.364 25476 5031 1 8 . 1 1 57 57 TRP CA C 57 57.700 57.700 54.597 3.103 25476 5032 1 8 . 1 1 58 58 MET N N 58 122.630 122.630 122.819 -0.189 25476 5033 1 8 . 1 1 58 58 MET HA H 58 4.370 4.370 4.878 -0.508 25476 5034 1 8 . 1 1 58 58 MET CA C 58 55.230 55.230 54.062 1.168 25476 5035 1 8 . 1 1 58 58 MET CB C 58 35.910 35.910 35.294 0.616 25476 5036 1 8 . 1 1 58 58 MET H H 58 9.680 9.680 8.134 1.546 25476 5037 1 8 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.527 0.903 25476 5038 1 8 . 1 1 59 59 GLU C C 59 175.570 175.570 174.565 1.005 25476 5039 1 8 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.420 -0.161 25476 5040 1 8 . 1 1 60 60 LEU N N 60 126.920 126.920 119.447 7.473 25476 5041 1 8 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.898 1.162 25476 5042 1 8 . 1 1 60 60 LEU C C 60 176.470 176.470 175.153 1.317 25476 5043 1 8 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.670 -1.060 25476 5044 1 8 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.371 2.109 25476 5045 1 8 . 1 1 60 60 LEU H H 60 9.610 9.610 8.147 1.463 25476 5046 1 8 . 1 1 61 61 GLU N N 61 123.560 123.560 121.411 2.149 25476 5047 1 8 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.641 0.539 25476 5048 1 8 . 1 1 61 61 GLU C C 61 174.930 174.930 175.379 -0.449 25476 5049 1 8 . 1 1 61 61 GLU CA C 61 55.050 55.050 55.072 -0.022 25476 5050 1 8 . 1 1 61 61 GLU CB C 61 32.200 32.200 31.879 0.321 25476 5051 1 8 . 1 1 61 61 GLU H H 61 9.070 9.070 8.659 0.411 25476 5052 1 8 . 1 1 62 62 ALA N N 62 129.830 129.830 129.112 0.718 25476 5053 1 8 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.342 -0.222 25476 5054 1 8 . 1 1 62 62 ALA C C 62 175.760 175.760 176.946 -1.186 25476 5055 1 8 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.790 -0.110 25476 5056 1 8 . 1 1 62 62 ALA CB C 62 21.330 21.330 19.064 2.265 25476 5057 1 8 . 1 1 62 62 ALA H H 62 9.030 9.030 8.603 0.427 25476 5058 1 8 . 1 1 63 63 GLN N N 63 122.550 122.550 122.459 0.091 25476 5059 1 8 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.426 0.324 25476 5060 1 8 . 1 1 63 63 GLN C C 63 175.470 175.470 176.929 -1.459 25476 5061 1 8 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.236 -0.296 25476 5062 1 8 . 1 1 63 63 GLN CB C 63 29.650 29.650 30.669 -1.019 25476 5063 1 8 . 1 1 63 63 GLN H H 63 8.170 8.170 7.987 0.183 25476 5064 1 8 . 1 1 64 64 GLU N N 64 120.760 120.760 119.209 1.551 25476 5065 1 8 . 1 1 64 64 GLU HA H 64 3.550 3.550 3.969 -0.419 25476 5066 1 8 . 1 1 64 64 GLU C C 64 176.740 176.740 176.400 0.340 25476 5067 1 8 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.138 2.202 25476 5068 1 8 . 1 1 64 64 GLU CB C 64 29.620 29.620 30.046 -0.426 25476 5069 1 8 . 1 1 64 64 GLU H H 64 8.730 8.730 8.438 0.292 25476 5070 1 8 . 1 1 65 65 LYS N N 65 112.820 112.820 112.993 -0.173 25476 5071 1 8 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.363 0.267 25476 5072 1 8 . 1 1 65 65 LYS C C 65 175.960 175.960 174.838 1.122 25476 5073 1 8 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.641 -0.851 25476 5074 1 8 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.447 0.853 25476 5075 1 8 . 1 1 65 65 LYS H H 65 8.750 8.750 7.837 0.913 25476 5076 1 8 . 1 1 66 66 ARG N N 66 115.100 115.100 117.753 -2.653 25476 5077 1 8 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.549 0.751 25476 5078 1 8 . 1 1 66 66 ARG C C 66 172.980 172.980 173.587 -0.607 25476 5079 1 8 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.652 -2.122 25476 5080 1 8 . 1 1 66 66 ARG CB C 66 33.000 33.000 34.563 -1.563 25476 5081 1 8 . 1 1 66 66 ARG H H 66 7.520 7.520 7.585 -0.065 25476 5082 1 8 . 1 1 67 67 PHE N N 67 119.960 119.960 117.190 2.770 25476 5083 1 8 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.871 0.869 25476 5084 1 8 . 1 1 67 67 PHE C C 67 176.040 176.040 174.248 1.792 25476 5085 1 8 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.291 -1.171 25476 5086 1 8 . 1 1 67 67 PHE CB C 67 41.950 41.950 44.144 -2.194 25476 5087 1 8 . 1 1 67 67 PHE H H 67 9.220 9.220 8.918 0.302 25476 5088 1 8 . 1 1 68 68 THR N N 68 111.030 111.030 116.019 -4.989 25476 5089 1 8 . 1 1 68 68 THR HA H 68 6.310 6.310 5.186 1.124 25476 5090 1 8 . 1 1 68 68 THR C C 68 175.340 175.340 172.856 2.484 25476 5091 1 8 . 1 1 68 68 THR CA C 68 57.990 57.990 59.742 -1.752 25476 5092 1 8 . 1 1 68 68 THR CB C 68 70.260 70.260 70.798 -0.538 25476 5093 1 8 . 1 1 68 68 THR H H 68 9.200 9.200 8.434 0.766 25476 5094 1 8 . 1 1 69 69 TYR N N 69 115.700 115.700 120.500 -4.800 25476 5095 1 8 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.894 1.196 25476 5096 1 8 . 1 1 69 69 TYR C C 69 173.310 173.310 172.740 0.570 25476 5097 1 8 . 1 1 69 69 TYR CA C 69 55.500 55.500 56.201 -0.701 25476 5098 1 8 . 1 1 69 69 TYR CB C 69 44.600 44.600 40.348 4.252 25476 5099 1 8 . 1 1 69 69 TYR H H 69 8.190 8.190 8.472 -0.282 25476 5100 1 8 . 1 1 70 70 ARG N N 70 115.070 115.070 121.490 -6.420 25476 5101 1 8 . 1 1 70 70 ARG HA H 70 5.510 5.510 3.999 1.511 25476 5102 1 8 . 1 1 70 70 ARG C C 70 175.220 175.220 174.379 0.841 25476 5103 1 8 . 1 1 70 70 ARG CA C 70 55.150 55.150 53.751 1.399 25476 5104 1 8 . 1 1 70 70 ARG CB C 70 32.780 32.780 34.749 -1.969 25476 5105 1 8 . 1 1 70 70 ARG H H 70 8.160 8.160 8.490 -0.330 25476 5106 1 8 . 1 1 71 71 TYR N N 71 118.750 118.750 120.150 -1.400 25476 5107 1 8 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.942 -0.822 25476 5108 1 8 . 1 1 71 71 TYR H H 71 9.220 9.220 8.507 0.713 25476 5109 1 8 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.721 -0.301 25476 5110 1 8 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.811 0.039 25476 5111 1 8 . 1 1 72 72 GLN CB C 72 30.990 30.990 31.686 -0.696 25476 5112 1 8 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.608 1.222 25476 5113 1 8 . 1 1 73 73 PHE C C 73 177.280 177.280 175.488 1.792 25476 5114 1 8 . 1 1 73 73 PHE CA C 73 53.680 53.680 58.210 -4.530 25476 5115 1 8 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.521 -0.721 25476 5116 1 8 . 1 1 74 74 GLY N N 74 108.520 108.520 109.877 -1.357 25476 5117 1 8 . 1 1 74 74 GLY CA C 74 47.480 47.480 44.630 2.850 25476 5118 1 8 . 1 1 74 74 GLY H H 74 9.350 9.350 7.761 1.589 25476 5119 1 8 . 1 1 75 75 LEU HA H 75 5.370 5.370 4.974 0.396 25476 5120 1 8 . 1 1 75 75 LEU C C 75 174.270 174.270 174.757 -0.487 25476 5121 1 8 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.785 -0.995 25476 5122 1 8 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.127 0.733 25476 5123 1 8 . 1 1 76 76 PHE N N 76 135.230 135.230 125.580 9.650 25476 5124 1 8 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.031 -0.691 25476 5125 1 8 . 1 1 76 76 PHE C C 76 174.690 174.690 173.638 1.052 25476 5126 1 8 . 1 1 76 76 PHE CA C 76 56.900 56.900 55.626 1.274 25476 5127 1 8 . 1 1 76 76 PHE H H 76 9.840 9.840 8.300 1.540 25476 5128 1 8 . 1 1 77 77 ASP N N 77 125.580 125.580 127.644 -2.064 25476 5129 1 8 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.398 -0.068 25476 5130 1 8 . 1 1 77 77 ASP C C 77 178.310 178.310 176.002 2.308 25476 5131 1 8 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.139 0.611 25476 5132 1 8 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.725 -1.265 25476 5133 1 8 . 1 1 77 77 ASP H H 77 7.940 7.940 8.349 -0.409 25476 5134 1 8 . 1 1 78 78 LYS N N 78 116.610 116.610 115.739 0.871 25476 5135 1 8 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.929 0.161 25476 5136 1 8 . 1 1 78 78 LYS C C 78 176.910 176.910 177.564 -0.654 25476 5137 1 8 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.096 -0.516 25476 5138 1 8 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.103 -1.073 25476 5139 1 8 . 1 1 78 78 LYS H H 78 9.030 9.030 8.204 0.826 25476 5140 1 8 . 1 1 79 79 GLU N N 79 120.510 120.510 118.054 2.456 25476 5141 1 8 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.241 0.019 25476 5142 1 8 . 1 1 79 79 GLU C C 79 176.160 176.160 176.494 -0.334 25476 5143 1 8 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.236 -0.906 25476 5144 1 8 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.945 -0.524 25476 5145 1 8 . 1 1 79 79 GLU H H 79 7.850 7.850 7.781 0.069 25476 5146 1 8 . 1 1 80 80 GLY N N 80 109.610 109.610 107.808 1.802 25476 5147 1 8 . 1 1 80 80 GLY C C 80 172.820 172.820 173.723 -0.903 25476 5148 1 8 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.473 -0.093 25476 5149 1 8 . 1 1 80 80 GLY H H 80 7.800 7.800 8.037 -0.237 25476 5150 1 8 . 1 1 81 81 ASN N N 81 117.680 117.680 118.172 -0.492 25476 5151 1 8 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.324 0.386 25476 5152 1 8 . 1 1 81 81 ASN C C 81 174.110 174.110 175.285 -1.175 25476 5153 1 8 . 1 1 81 81 ASN CA C 81 51.160 51.160 51.645 -0.485 25476 5154 1 8 . 1 1 81 81 ASN CB C 81 40.160 40.160 39.485 0.675 25476 5155 1 8 . 1 1 81 81 ASN H H 81 7.560 7.560 8.158 -0.598 25476 5156 1 8 . 1 1 82 82 TRP N N 82 122.870 122.870 120.491 2.379 25476 5157 1 8 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.489 0.661 25476 5158 1 8 . 1 1 82 82 TRP C C 82 177.480 177.480 176.039 1.441 25476 5159 1 8 . 1 1 82 82 TRP CA C 82 57.260 57.260 57.961 -0.701 25476 5160 1 8 . 1 1 82 82 TRP H H 82 8.480 8.480 7.778 0.702 25476 5161 1 8 . 1 1 83 83 THR N N 83 118.050 118.050 119.792 -1.742 25476 5162 1 8 . 1 1 83 83 THR HA H 83 4.820 4.820 4.732 0.088 25476 5163 1 8 . 1 1 83 83 THR C C 83 173.630 173.630 173.881 -0.251 25476 5164 1 8 . 1 1 83 83 THR CA C 83 60.470 60.470 61.292 -0.822 25476 5165 1 8 . 1 1 83 83 THR CB C 83 72.050 72.050 70.446 1.604 25476 5166 1 8 . 1 1 83 83 THR H H 83 9.280 9.280 8.732 0.548 25476 5167 1 8 . 1 1 84 84 VAL N N 84 125.990 125.990 122.624 3.366 25476 5168 1 8 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.494 0.036 25476 5169 1 8 . 1 1 84 84 VAL C C 84 175.440 175.440 175.045 0.395 25476 5170 1 8 . 1 1 84 84 VAL CA C 84 64.280 64.280 62.172 2.107 25476 5171 1 8 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.674 -0.044 25476 5172 1 8 . 1 1 84 84 VAL H H 84 9.100 9.100 8.384 0.716 25476 5173 1 8 . 1 1 85 85 VAL N N 85 124.640 124.640 128.485 -3.845 25476 5174 1 8 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.624 0.346 25476 5175 1 8 . 1 1 85 85 VAL CA C 85 58.050 58.050 59.497 -1.447 25476 5176 1 8 . 1 1 85 85 VAL CB C 85 35.190 35.190 34.999 0.190 25476 5177 1 8 . 1 1 85 85 VAL H H 85 7.430 7.430 8.368 -0.938 25476 5178 1 8 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.616 -0.136 25476 5179 1 8 . 1 1 86 86 PRO C C 86 175.970 175.970 176.179 -0.209 25476 5180 1 8 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.757 0.163 25476 5181 1 8 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.054 -0.124 25476 5182 1 8 . 1 1 87 87 ILE N N 87 123.980 123.980 121.574 2.406 25476 5183 1 8 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.095 0.825 25476 5184 1 8 . 1 1 87 87 ILE C C 87 175.510 175.510 176.140 -0.630 25476 5185 1 8 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.511 0.609 25476 5186 1 8 . 1 1 87 87 ILE CB C 87 37.550 37.550 38.116 -0.566 25476 5187 1 8 . 1 1 87 87 ILE H H 87 8.500 8.500 8.008 0.492 25476 5188 1 8 . 1 1 88 88 ASN N N 88 119.050 119.050 121.302 -2.252 25476 5189 1 8 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.515 -0.155 25476 5190 1 8 . 1 1 88 88 ASN CA C 88 52.210 52.210 53.942 -1.732 25476 5191 1 8 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.080 -1.340 25476 5192 1 8 . 1 1 88 88 ASN H H 88 8.390 8.390 7.849 0.541 25476 5193 1 8 . 1 1 90 90 THR HA H 90 3.800 3.800 3.914 -0.114 25476 5194 1 8 . 1 1 90 90 THR C C 90 175.860 175.860 175.884 -0.024 25476 5195 1 8 . 1 1 90 90 THR CA C 90 66.300 66.300 66.005 0.295 25476 5196 1 8 . 1 1 90 90 THR CB C 90 68.380 68.380 68.447 -0.067 25476 5197 1 8 . 1 1 91 91 GLU N N 91 120.430 120.430 119.316 1.114 25476 5198 1 8 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.032 0.078 25476 5199 1 8 . 1 1 91 91 GLU C C 91 179.320 179.320 178.614 0.706 25476 5200 1 8 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.206 0.254 25476 5201 1 8 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.805 0.235 25476 5202 1 8 . 1 1 91 91 GLU H H 91 9.440 9.440 8.601 0.839 25476 5203 1 8 . 1 1 92 92 VAL N N 92 119.810 119.810 119.803 0.007 25476 5204 1 8 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.878 -0.258 25476 5205 1 8 . 1 1 92 92 VAL C C 92 177.270 177.270 178.349 -1.079 25476 5206 1 8 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.195 0.755 25476 5207 1 8 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.730 -0.250 25476 5208 1 8 . 1 1 92 92 VAL H H 92 7.010 7.010 7.726 -0.716 25476 5209 1 8 . 1 1 93 93 VAL N N 93 120.570 120.570 121.065 -0.495 25476 5210 1 8 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.482 -0.192 25476 5211 1 8 . 1 1 93 93 VAL C C 93 177.970 177.970 177.409 0.561 25476 5212 1 8 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.601 0.749 25476 5213 1 8 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.692 -0.232 25476 5214 1 8 . 1 1 93 93 VAL H H 93 7.720 7.720 7.526 0.194 25476 5215 1 8 . 1 1 94 94 GLU N N 94 118.100 118.100 118.695 -0.595 25476 5216 1 8 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.315 -0.205 25476 5217 1 8 . 1 1 94 94 GLU C C 94 179.420 179.420 179.193 0.227 25476 5218 1 8 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.261 0.389 25476 5219 1 8 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.243 0.147 25476 5220 1 8 . 1 1 94 94 GLU H H 94 8.320 8.320 8.240 0.080 25476 5221 1 8 . 1 1 95 95 ARG N N 95 120.330 120.330 120.385 -0.055 25476 5222 1 8 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.271 0.099 25476 5223 1 8 . 1 1 95 95 ARG C C 95 179.510 179.510 178.792 0.718 25476 5224 1 8 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.348 -0.808 25476 5225 1 8 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.649 -0.029 25476 5226 1 8 . 1 1 95 95 ARG H H 95 7.350 7.350 7.914 -0.564 25476 5227 1 8 . 1 1 96 96 LEU N N 96 124.600 124.600 120.154 4.446 25476 5228 1 8 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.418 -0.588 25476 5229 1 8 . 1 1 96 96 LEU C C 96 177.600 177.600 179.475 -1.875 25476 5230 1 8 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.558 1.732 25476 5231 1 8 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.260 -1.660 25476 5232 1 8 . 1 1 96 96 LEU H H 96 8.600 8.600 7.719 0.881 25476 5233 1 8 . 1 1 97 97 GLU N N 97 118.190 118.190 119.651 -1.461 25476 5234 1 8 . 1 1 97 97 GLU HA H 97 3.740 3.740 3.938 -0.198 25476 5235 1 8 . 1 1 97 97 GLU C C 97 177.630 177.630 178.943 -1.313 25476 5236 1 8 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.775 0.665 25476 5237 1 8 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.343 -1.123 25476 5238 1 8 . 1 1 97 97 GLU H H 97 8.540 8.540 8.309 0.231 25476 5239 1 8 . 1 1 98 98 TYR N N 98 119.160 119.160 119.792 -0.632 25476 5240 1 8 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.247 -0.177 25476 5241 1 8 . 1 1 98 98 TYR C C 98 179.010 179.010 177.323 1.687 25476 5242 1 8 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.109 1.011 25476 5243 1 8 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.453 0.337 25476 5244 1 8 . 1 1 98 98 TYR H H 98 8.380 8.380 7.674 0.706 25476 5245 1 8 . 1 1 99 99 THR N N 99 109.220 109.220 114.524 -5.304 25476 5246 1 8 . 1 1 99 99 THR HA H 99 4.310 4.310 3.686 0.624 25476 5247 1 8 . 1 1 99 99 THR C C 99 178.320 178.320 177.087 1.233 25476 5248 1 8 . 1 1 99 99 THR CA C 99 64.890 64.890 65.475 -0.585 25476 5249 1 8 . 1 1 99 99 THR CB C 99 69.810 69.810 68.546 1.264 25476 5250 1 8 . 1 1 99 99 THR H H 99 8.480 8.480 7.796 0.684 25476 5251 1 8 . 1 1 100 100 LEU N N 100 128.250 128.250 123.371 4.879 25476 5252 1 8 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.028 -0.488 25476 5253 1 8 . 1 1 100 100 LEU C C 100 177.870 177.870 178.463 -0.593 25476 5254 1 8 . 1 1 100 100 LEU CA C 100 58.200 58.200 58.343 -0.143 25476 5255 1 8 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.896 0.564 25476 5256 1 8 . 1 1 100 100 LEU H H 100 8.200 8.200 8.189 0.011 25476 5257 1 8 . 1 1 101 101 ARG N N 101 118.550 118.550 119.026 -0.476 25476 5258 1 8 . 1 1 101 101 ARG HA H 101 3.610 3.610 4.087 -0.477 25476 5259 1 8 . 1 1 101 101 ARG C C 101 178.930 178.930 178.780 0.150 25476 5260 1 8 . 1 1 101 101 ARG CA C 101 60.460 60.460 58.361 2.099 25476 5261 1 8 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.675 -0.386 25476 5262 1 8 . 1 1 101 101 ARG H H 101 8.440 8.440 7.537 0.903 25476 5263 1 8 . 1 1 102 102 GLU N N 102 119.760 119.760 119.522 0.238 25476 5264 1 8 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.047 -0.127 25476 5265 1 8 . 1 1 102 102 GLU C C 102 178.360 178.360 178.810 -0.450 25476 5266 1 8 . 1 1 102 102 GLU CA C 102 58.950 58.950 59.239 -0.289 25476 5267 1 8 . 1 1 102 102 GLU CB C 102 30.020 30.020 28.919 1.101 25476 5268 1 8 . 1 1 102 102 GLU H H 102 7.970 7.970 8.052 -0.082 25476 5269 1 8 . 1 1 103 103 PHE N N 103 119.570 119.570 119.767 -0.197 25476 5270 1 8 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.193 -0.273 25476 5271 1 8 . 1 1 103 103 PHE C C 103 175.350 175.350 177.038 -1.688 25476 5272 1 8 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.680 -0.880 25476 5273 1 8 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.660 -0.120 25476 5274 1 8 . 1 1 103 103 PHE H H 103 7.630 7.630 8.059 -0.429 25476 5275 1 8 . 1 1 104 104 HIS N N 104 119.160 119.160 119.141 0.019 25476 5276 1 8 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.358 -1.328 25476 5277 1 8 . 1 1 104 104 HIS C C 104 175.460 175.460 177.486 -2.026 25476 5278 1 8 . 1 1 104 104 HIS CA C 104 60.710 60.710 60.001 0.709 25476 5279 1 8 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.983 1.748 25476 5280 1 8 . 1 1 104 104 HIS H H 104 8.800 8.800 7.949 0.851 25476 5281 1 8 . 1 1 105 105 GLU N N 105 117.900 117.900 118.966 -1.066 25476 5282 1 8 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.936 -0.496 25476 5283 1 8 . 1 1 105 105 GLU C C 105 177.990 177.990 178.730 -0.740 25476 5284 1 8 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.719 -0.109 25476 5285 1 8 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.744 -0.444 25476 5286 1 8 . 1 1 105 105 GLU H H 105 7.890 7.890 7.971 -0.081 25476 5287 1 8 . 1 1 106 106 LYS N N 106 117.260 117.260 118.449 -1.189 25476 5288 1 8 . 1 1 106 106 LYS HA H 106 3.970 3.970 4.022 -0.052 25476 5289 1 8 . 1 1 106 106 LYS C C 106 179.570 179.570 178.628 0.942 25476 5290 1 8 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.809 -0.099 25476 5291 1 8 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.157 0.623 25476 5292 1 8 . 1 1 106 106 LYS H H 106 6.870 6.870 7.390 -0.520 25476 5293 1 8 . 1 1 107 107 LEU N N 107 123.180 123.180 121.802 1.378 25476 5294 1 8 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.856 -0.406 25476 5295 1 8 . 1 1 107 107 LEU C C 107 177.170 177.170 178.816 -1.646 25476 5296 1 8 . 1 1 107 107 LEU CA C 107 57.340 57.340 57.342 -0.002 25476 5297 1 8 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.856 0.384 25476 5298 1 8 . 1 1 107 107 LEU H H 107 8.020 8.020 7.744 0.276 25476 5299 1 8 . 1 1 108 108 ARG N N 108 120.070 120.070 118.575 1.495 25476 5300 1 8 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.765 -0.355 25476 5301 1 8 . 1 1 108 108 ARG C C 108 178.460 178.460 178.661 -0.201 25476 5302 1 8 . 1 1 108 108 ARG CA C 108 59.640 59.640 59.368 0.272 25476 5303 1 8 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.326 -0.116 25476 5304 1 8 . 1 1 108 108 ARG H H 108 8.680 8.680 7.535 1.145 25476 5305 1 8 . 1 1 109 109 ASP N N 109 119.480 119.480 119.570 -0.090 25476 5306 1 8 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.305 0.005 25476 5307 1 8 . 1 1 109 109 ASP C C 109 178.900 178.900 178.497 0.403 25476 5308 1 8 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.364 -0.224 25476 5309 1 8 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.635 -0.765 25476 5310 1 8 . 1 1 109 109 ASP H H 109 7.890 7.890 7.495 0.395 25476 5311 1 8 . 1 1 110 110 LEU N N 110 122.740 122.740 120.702 2.038 25476 5312 1 8 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.899 0.201 25476 5313 1 8 . 1 1 110 110 LEU C C 110 179.830 179.830 178.458 1.372 25476 5314 1 8 . 1 1 110 110 LEU CA C 110 57.680 57.680 58.027 -0.347 25476 5315 1 8 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.916 -0.625 25476 5316 1 8 . 1 1 110 110 LEU H H 110 7.650 7.650 7.413 0.237 25476 5317 1 8 . 1 1 111 111 LEU N N 111 122.170 122.170 118.705 3.465 25476 5318 1 8 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.770 0.060 25476 5319 1 8 . 1 1 111 111 LEU C C 111 179.990 179.990 178.961 1.029 25476 5320 1 8 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.030 0.580 25476 5321 1 8 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.300 -1.920 25476 5322 1 8 . 1 1 111 111 LEU H H 111 8.320 8.320 7.671 0.649 25476 5323 1 8 . 1 1 112 112 ILE N N 112 122.490 122.490 118.635 3.855 25476 5324 1 8 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.618 0.352 25476 5325 1 8 . 1 1 112 112 ILE C C 112 180.930 180.930 177.860 3.070 25476 5326 1 8 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.120 -0.460 25476 5327 1 8 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.593 -0.273 25476 5328 1 8 . 1 1 112 112 ILE H H 112 8.790 8.790 8.061 0.729 25476 5329 1 8 . 1 1 113 113 SER N N 113 119.860 119.860 115.069 4.791 25476 5330 1 8 . 1 1 113 113 SER HA H 113 4.400 4.400 4.267 0.133 25476 5331 1 8 . 1 1 113 113 SER C C 113 174.520 174.520 175.652 -1.132 25476 5332 1 8 . 1 1 113 113 SER CA C 113 61.390 61.390 60.815 0.576 25476 5333 1 8 . 1 1 113 113 SER CB C 113 62.630 62.630 63.456 -0.826 25476 5334 1 8 . 1 1 113 113 SER H H 113 7.720 7.720 7.677 0.043 25476 5335 1 8 . 1 1 114 114 MET N N 114 121.890 121.890 115.856 6.034 25476 5336 1 8 . 1 1 114 114 MET HA H 114 4.530 4.530 4.645 -0.115 25476 5337 1 8 . 1 1 114 114 MET C C 114 173.850 173.850 175.669 -1.819 25476 5338 1 8 . 1 1 114 114 MET CA C 114 55.330 55.330 55.464 -0.134 25476 5339 1 8 . 1 1 114 114 MET CB C 114 34.040 34.040 33.606 0.434 25476 5340 1 8 . 1 1 114 114 MET H H 114 7.480 7.480 7.163 0.317 25476 5341 1 8 . 1 1 115 115 GLU N N 115 114.160 114.160 116.078 -1.918 25476 5342 1 8 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.933 -0.033 25476 5343 1 8 . 1 1 115 115 GLU C C 115 174.880 174.880 175.060 -0.180 25476 5344 1 8 . 1 1 115 115 GLU CA C 115 57.270 57.270 57.050 0.220 25476 5345 1 8 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.342 -0.832 25476 5346 1 8 . 1 1 115 115 GLU H H 115 8.110 8.110 7.846 0.264 25476 5347 1 8 . 1 1 116 116 LEU N N 116 119.870 119.870 120.301 -0.431 25476 5348 1 8 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.484 0.176 25476 5349 1 8 . 1 1 116 116 LEU C C 116 174.910 174.910 176.852 -1.942 25476 5350 1 8 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.472 -0.372 25476 5351 1 8 . 1 1 116 116 LEU CB C 116 45.570 45.570 42.141 3.429 25476 5352 1 8 . 1 1 116 116 LEU H H 116 7.970 7.970 8.010 -0.040 25476 5353 1 8 . 1 1 117 117 ALA N N 117 123.730 123.730 129.354 -5.624 25476 5354 1 8 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.338 0.112 25476 5355 1 8 . 1 1 117 117 ALA C C 117 174.870 174.870 175.648 -0.778 25476 5356 1 8 . 1 1 117 117 ALA CA C 117 50.870 50.870 51.918 -1.048 25476 5357 1 8 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.410 0.291 25476 5358 1 8 . 1 1 117 117 ALA H H 117 7.530 7.530 8.655 -1.125 25476 5359 1 8 . 1 1 118 118 LEU N N 118 121.610 121.610 121.403 0.207 25476 5360 1 8 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.446 0.034 25476 5361 1 8 . 1 1 118 118 LEU C C 118 175.560 175.560 175.815 -0.255 25476 5362 1 8 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.518 -0.678 25476 5363 1 8 . 1 1 118 118 LEU CB C 118 43.490 43.490 45.946 -2.456 25476 5364 1 8 . 1 1 118 118 LEU H H 118 8.250 8.250 8.264 -0.014 25476 5365 1 8 . 1 1 119 119 GLU N N 119 127.300 127.300 123.827 3.473 25476 5366 1 8 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.962 0.158 25476 5367 1 8 . 1 1 119 119 GLU C C 119 171.510 171.510 174.111 -2.601 25476 5368 1 8 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.777 -0.807 25476 5369 1 8 . 1 1 119 119 GLU CB C 119 32.870 32.870 33.169 -0.299 25476 5370 1 8 . 1 1 119 119 GLU H H 119 8.730 8.730 8.414 0.316 25476 5371 1 8 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.293 0.277 25476 5372 1 8 . 1 1 120 120 PRO C C 120 176.420 176.420 176.981 -0.561 25476 5373 1 8 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.380 -0.620 25476 5374 1 8 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.218 0.172 25476 5375 1 8 . 1 1 121 121 SER N N 121 117.040 117.040 114.695 2.345 25476 5376 1 8 . 1 1 121 121 SER HA H 121 4.060 4.060 4.606 -0.546 25476 5377 1 8 . 1 1 121 121 SER C C 121 175.150 175.150 175.425 -0.275 25476 5378 1 8 . 1 1 121 121 SER CA C 121 59.230 59.230 57.357 1.873 25476 5379 1 8 . 1 1 121 121 SER CB C 121 62.970 62.970 65.264 -2.294 25476 5380 1 8 . 1 1 121 121 SER H H 121 8.690 8.690 8.154 0.536 25476 5381 1 8 . 1 1 122 122 ASP N N 122 124.140 124.140 123.133 1.007 25476 5382 1 8 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.481 -0.111 25476 5383 1 8 . 1 1 122 122 ASP C C 122 176.240 176.240 176.003 0.237 25476 5384 1 8 . 1 1 122 122 ASP CA C 122 57.100 57.100 55.816 1.284 25476 5385 1 8 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.935 -0.745 25476 5386 1 8 . 1 1 122 122 ASP H H 122 8.830 8.830 8.825 0.005 25476 5387 1 8 . 1 1 123 123 ASP N N 123 115.720 115.720 118.876 -3.156 25476 5388 1 8 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.730 -0.110 25476 5389 1 8 . 1 1 123 123 ASP C C 123 174.850 174.850 175.262 -0.412 25476 5390 1 8 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.793 -1.003 25476 5391 1 8 . 1 1 123 123 ASP CB C 123 40.270 40.270 39.916 0.354 25476 5392 1 8 . 1 1 123 123 ASP H H 123 8.210 8.210 8.360 -0.150 25476 5393 1 8 . 1 1 124 124 PHE N N 124 122.440 122.440 121.650 0.790 25476 5394 1 8 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.519 0.511 25476 5395 1 8 . 1 1 124 124 PHE C C 124 174.040 174.040 175.207 -1.167 25476 5396 1 8 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.916 -1.875 25476 5397 1 8 . 1 1 124 124 PHE CB C 124 42.170 42.170 39.771 2.399 25476 5398 1 8 . 1 1 124 124 PHE H H 124 8.060 8.060 7.508 0.552 25476 5399 1 8 . 1 1 125 125 ASN N N 125 126.850 126.850 124.492 2.358 25476 5400 1 8 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.572 0.168 25476 5401 1 8 . 1 1 125 125 ASN C C 125 175.070 175.070 174.385 0.685 25476 5402 1 8 . 1 1 125 125 ASN CA C 125 53.430 53.430 53.209 0.221 25476 5403 1 8 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.335 0.395 25476 5404 1 8 . 1 1 125 125 ASN H H 125 7.700 7.700 8.232 -0.532 25476 5405 1 8 . 1 1 126 126 ASP N N 126 120.330 120.330 117.078 3.252 25476 5406 1 8 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.627 -0.497 25476 5407 1 8 . 1 1 126 126 ASP C C 126 176.280 176.280 174.626 1.654 25476 5408 1 8 . 1 1 126 126 ASP CA C 126 56.030 56.030 54.256 1.774 25476 5409 1 8 . 1 1 126 126 ASP CB C 126 39.100 39.100 41.104 -2.004 25476 5410 1 8 . 1 1 126 126 ASP H H 126 7.300 7.300 8.389 -1.089 25476 5411 1 8 . 1 1 127 127 GLU N N 127 127.840 127.840 120.058 7.782 25476 5412 1 8 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.506 -0.146 25476 5413 1 8 . 1 1 127 127 GLU CA C 127 55.470 55.470 53.427 2.043 25476 5414 1 8 . 1 1 127 127 GLU H H 127 8.320 8.320 7.841 0.479 25476 5415 1 8 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.457 0.213 25476 5416 1 8 . 1 1 128 128 PRO C C 128 176.010 176.010 176.593 -0.583 25476 5417 1 8 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.448 1.182 25476 5418 1 8 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.369 -0.429 25476 5419 1 8 . 1 1 129 129 VAL N N 129 122.940 122.940 115.360 7.580 25476 5420 1 8 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.851 0.139 25476 5421 1 8 . 1 1 129 129 VAL C C 129 173.650 173.650 176.008 -2.358 25476 5422 1 8 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.541 -1.561 25476 5423 1 8 . 1 1 129 129 VAL CB C 129 32.130 32.130 31.841 0.289 25476 5424 1 8 . 1 1 129 129 VAL H H 129 7.990 7.990 8.043 -0.053 25476 5425 1 8 . 1 1 130 130 LYS N N 130 124.620 124.620 125.828 -1.208 25476 5426 1 8 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.162 0.348 25476 5427 1 8 . 1 1 130 130 LYS C C 130 174.900 174.900 176.141 -1.241 25476 5428 1 8 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.164 -3.014 25476 5429 1 8 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.439 3.071 25476 5430 1 8 . 1 1 130 130 LYS H H 130 8.240 8.240 8.508 -0.268 25476 5431 1 8 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.187 -0.387 25476 5432 1 8 . 1 1 131 131 LEU C C 131 178.400 178.400 178.103 0.297 25476 5433 1 8 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.744 -0.694 25476 5434 1 8 . 1 1 131 131 LEU CB C 131 40.800 40.800 41.957 -1.157 25476 5435 1 8 . 1 1 132 132 SER N N 132 115.550 115.550 114.734 0.816 25476 5436 1 8 . 1 1 132 132 SER HA H 132 4.610 4.610 4.488 0.122 25476 5437 1 8 . 1 1 132 132 SER C C 132 172.970 172.970 173.807 -0.837 25476 5438 1 8 . 1 1 132 132 SER CA C 132 58.620 58.620 57.755 0.865 25476 5439 1 8 . 1 1 132 132 SER CB C 132 63.310 63.310 61.820 1.490 25476 5440 1 8 . 1 1 132 132 SER H H 132 9.070 9.070 8.026 1.044 25476 5441 1 9 . 1 1 2 2 THR N N 2 118.280 118.280 111.222 7.058 25476 5442 1 9 . 1 1 2 2 THR HA H 2 4.550 4.550 4.998 -0.448 25476 5443 1 9 . 1 1 2 2 THR C C 2 174.150 174.150 174.275 -0.125 25476 5444 1 9 . 1 1 2 2 THR CA C 2 61.600 61.600 60.381 1.219 25476 5445 1 9 . 1 1 2 2 THR CB C 2 69.970 69.970 71.824 -1.854 25476 5446 1 9 . 1 1 2 2 THR H H 2 8.470 8.470 7.537 0.933 25476 5447 1 9 . 1 1 3 3 LEU N N 3 125.130 125.130 121.254 3.876 25476 5448 1 9 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.633 0.027 25476 5449 1 9 . 1 1 3 3 LEU C C 3 176.690 176.690 177.697 -1.007 25476 5450 1 9 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.332 0.208 25476 5451 1 9 . 1 1 3 3 LEU CB C 3 40.050 40.050 41.042 -0.992 25476 5452 1 9 . 1 1 3 3 LEU H H 3 8.580 8.580 8.248 0.332 25476 5453 1 9 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.364 -0.004 25476 5454 1 9 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.426 1.044 25476 5455 1 9 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.689 0.201 25476 5456 1 9 . 1 1 5 5 SER HA H 5 4.580 4.580 4.332 0.248 25476 5457 1 9 . 1 1 5 5 SER C C 5 175.510 175.510 175.481 0.029 25476 5458 1 9 . 1 1 5 5 SER CA C 5 59.410 59.410 59.280 0.130 25476 5459 1 9 . 1 1 5 5 SER CB C 5 63.110 63.110 63.090 0.020 25476 5460 1 9 . 1 1 6 6 GLY N N 6 112.010 112.010 109.260 2.750 25476 5461 1 9 . 1 1 6 6 GLY C C 6 173.300 173.300 174.211 -0.911 25476 5462 1 9 . 1 1 6 6 GLY CA C 6 44.530 44.530 45.137 -0.607 25476 5463 1 9 . 1 1 6 6 GLY H H 6 8.620 8.620 7.674 0.946 25476 5464 1 9 . 1 1 7 7 HIS N N 7 119.440 119.440 122.190 -2.750 25476 5465 1 9 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.875 -0.195 25476 5466 1 9 . 1 1 7 7 HIS CA C 7 56.340 56.340 54.263 2.077 25476 5467 1 9 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.138 0.892 25476 5468 1 9 . 1 1 7 7 HIS H H 7 7.170 7.170 7.838 -0.668 25476 5469 1 9 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.556 0.234 25476 5470 1 9 . 1 1 8 8 PRO C C 8 178.140 178.140 176.967 1.173 25476 5471 1 9 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.124 -0.274 25476 5472 1 9 . 1 1 8 8 PRO CB C 8 31.980 31.980 33.002 -1.022 25476 5473 1 9 . 1 1 9 9 LYS N N 9 127.570 127.570 126.546 1.024 25476 5474 1 9 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.226 -0.056 25476 5475 1 9 . 1 1 9 9 LYS C C 9 178.050 178.050 178.471 -0.421 25476 5476 1 9 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.170 0.660 25476 5477 1 9 . 1 1 9 9 LYS H H 9 9.000 9.000 8.610 0.390 25476 5478 1 9 . 1 1 10 10 SER N N 10 113.610 113.610 114.683 -1.073 25476 5479 1 9 . 1 1 10 10 SER HA H 10 4.120 4.120 4.115 0.005 25476 5480 1 9 . 1 1 10 10 SER C C 10 176.750 176.750 176.437 0.313 25476 5481 1 9 . 1 1 10 10 SER CA C 10 61.050 61.050 62.389 -1.339 25476 5482 1 9 . 1 1 10 10 SER H H 10 9.170 9.170 8.175 0.995 25476 5483 1 9 . 1 1 11 11 ARG N N 11 122.220 122.220 121.367 0.853 25476 5484 1 9 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.113 0.037 25476 5485 1 9 . 1 1 11 11 ARG C C 11 177.890 177.890 178.324 -0.434 25476 5486 1 9 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.950 -0.670 25476 5487 1 9 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.678 0.332 25476 5488 1 9 . 1 1 11 11 ARG H H 11 7.100 7.100 8.097 -0.997 25476 5489 1 9 . 1 1 12 12 LEU N N 12 121.360 121.360 121.007 0.353 25476 5490 1 9 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.754 -0.184 25476 5491 1 9 . 1 1 12 12 LEU C C 12 177.890 177.890 178.736 -0.846 25476 5492 1 9 . 1 1 12 12 LEU CA C 12 56.000 56.000 57.968 -1.968 25476 5493 1 9 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.151 -1.711 25476 5494 1 9 . 1 1 12 12 LEU H H 12 7.220 7.220 7.858 -0.638 25476 5495 1 9 . 1 1 13 13 ILE N N 13 118.920 118.920 120.117 -1.197 25476 5496 1 9 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.810 -0.040 25476 5497 1 9 . 1 1 13 13 ILE C C 13 179.060 179.060 178.756 0.304 25476 5498 1 9 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.901 0.229 25476 5499 1 9 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.864 -0.434 25476 5500 1 9 . 1 1 13 13 ILE H H 13 8.590 8.590 8.561 0.029 25476 5501 1 9 . 1 1 14 14 LYS N N 14 121.950 121.950 118.734 3.216 25476 5502 1 9 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.111 0.019 25476 5503 1 9 . 1 1 14 14 LYS C C 14 179.810 179.810 178.889 0.921 25476 5504 1 9 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.693 1.367 25476 5505 1 9 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.125 -0.045 25476 5506 1 9 . 1 1 14 14 LYS H H 14 7.730 7.730 7.953 -0.223 25476 5507 1 9 . 1 1 15 15 LYS N N 15 119.750 119.750 118.929 0.821 25476 5508 1 9 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.997 0.123 25476 5509 1 9 . 1 1 15 15 LYS C C 15 179.700 179.700 179.302 0.398 25476 5510 1 9 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.085 -0.355 25476 5511 1 9 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.448 -0.498 25476 5512 1 9 . 1 1 15 15 LYS H H 15 7.800 7.800 7.789 0.011 25476 5513 1 9 . 1 1 16 16 PHE N N 16 117.660 117.660 118.448 -0.788 25476 5514 1 9 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.192 0.568 25476 5515 1 9 . 1 1 16 16 PHE C C 16 180.960 180.960 177.959 3.001 25476 5516 1 9 . 1 1 16 16 PHE CA C 16 56.640 56.640 59.920 -3.280 25476 5517 1 9 . 1 1 16 16 PHE CB C 16 38.800 38.800 37.862 0.938 25476 5518 1 9 . 1 1 16 16 PHE H H 16 9.130 9.130 8.545 0.585 25476 5519 1 9 . 1 1 17 17 THR N N 17 120.130 120.130 116.480 3.650 25476 5520 1 9 . 1 1 17 17 THR HA H 17 4.370 4.370 4.038 0.332 25476 5521 1 9 . 1 1 17 17 THR C C 17 175.550 175.550 175.992 -0.442 25476 5522 1 9 . 1 1 17 17 THR CA C 17 66.840 66.840 65.756 1.084 25476 5523 1 9 . 1 1 17 17 THR CB C 17 68.920 68.920 68.104 0.816 25476 5524 1 9 . 1 1 17 17 THR H H 17 8.940 8.940 7.634 1.306 25476 5525 1 9 . 1 1 18 18 ALA N N 18 122.170 122.170 122.625 -0.455 25476 5526 1 9 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.203 0.177 25476 5527 1 9 . 1 1 18 18 ALA C C 18 178.110 178.110 177.648 0.462 25476 5528 1 9 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.704 -0.314 25476 5529 1 9 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.343 -0.043 25476 5530 1 9 . 1 1 18 18 ALA H H 18 7.310 7.310 7.871 -0.561 25476 5531 1 9 . 1 1 19 19 LEU N N 19 116.080 116.080 116.136 -0.056 25476 5532 1 9 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.439 -0.069 25476 5533 1 9 . 1 1 19 19 LEU C C 19 176.620 176.620 176.179 0.441 25476 5534 1 9 . 1 1 19 19 LEU CA C 19 56.630 56.630 53.992 2.638 25476 5535 1 9 . 1 1 19 19 LEU CB C 19 42.420 42.420 41.937 0.483 25476 5536 1 9 . 1 1 19 19 LEU H H 19 7.580 7.580 7.790 -0.210 25476 5537 1 9 . 1 1 20 20 GLY N N 20 103.280 103.280 106.954 -3.674 25476 5538 1 9 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.870 -0.810 25476 5539 1 9 . 1 1 20 20 GLY H H 20 7.650 7.650 7.199 0.451 25476 5540 1 9 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.334 0.536 25476 5541 1 9 . 1 1 21 21 PRO C C 21 174.850 174.850 176.180 -1.330 25476 5542 1 9 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.331 0.809 25476 5543 1 9 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.344 -3.444 25476 5544 1 9 . 1 1 22 22 TYR N N 22 120.690 120.690 117.487 3.203 25476 5545 1 9 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.312 0.868 25476 5546 1 9 . 1 1 22 22 TYR C C 22 176.340 176.340 177.074 -0.734 25476 5547 1 9 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.293 -1.513 25476 5548 1 9 . 1 1 22 22 TYR CB C 22 41.500 41.500 37.880 3.620 25476 5549 1 9 . 1 1 22 22 TYR H H 22 7.680 7.680 8.235 -0.555 25476 5550 1 9 . 1 1 23 23 ILE N N 23 119.130 119.130 124.971 -5.841 25476 5551 1 9 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.101 0.019 25476 5552 1 9 . 1 1 23 23 ILE C C 23 174.210 174.210 176.641 -2.431 25476 5553 1 9 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.767 0.063 25476 5554 1 9 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.292 0.208 25476 5555 1 9 . 1 1 23 23 ILE H H 23 8.860 8.860 8.340 0.520 25476 5556 1 9 . 1 1 24 24 ARG N N 24 126.540 126.540 129.238 -2.698 25476 5557 1 9 . 1 1 24 24 ARG C C 24 177.290 177.290 175.436 1.854 25476 5558 1 9 . 1 1 24 24 ARG CA C 24 52.090 52.090 56.233 -4.143 25476 5559 1 9 . 1 1 24 24 ARG H H 24 8.100 8.100 9.080 -0.980 25476 5560 1 9 . 1 1 25 25 GLU N N 25 126.990 126.990 123.984 3.006 25476 5561 1 9 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.612 -0.512 25476 5562 1 9 . 1 1 25 25 GLU C C 25 176.780 176.780 176.360 0.420 25476 5563 1 9 . 1 1 25 25 GLU CA C 25 60.860 60.860 56.088 4.772 25476 5564 1 9 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.445 -0.795 25476 5565 1 9 . 1 1 25 25 GLU H H 25 9.400 9.400 8.144 1.256 25476 5566 1 9 . 1 1 26 26 GLY N N 26 109.830 109.830 112.751 -2.921 25476 5567 1 9 . 1 1 26 26 GLY C C 26 174.380 174.380 174.777 -0.397 25476 5568 1 9 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.833 0.688 25476 5569 1 9 . 1 1 26 26 GLY H H 26 8.070 8.070 8.157 -0.087 25476 5570 1 9 . 1 1 27 27 GLN N N 27 117.670 117.670 121.642 -3.972 25476 5571 1 9 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.074 0.236 25476 5572 1 9 . 1 1 27 27 GLN C C 27 175.350 175.350 176.807 -1.457 25476 5573 1 9 . 1 1 27 27 GLN CA C 27 55.320 55.320 57.749 -2.429 25476 5574 1 9 . 1 1 27 27 GLN CB C 27 29.340 29.340 28.335 1.005 25476 5575 1 9 . 1 1 27 27 GLN H H 27 7.690 7.690 8.661 -0.971 25476 5576 1 9 . 1 1 28 28 CYS N N 28 119.770 119.770 115.769 4.001 25476 5577 1 9 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.220 0.320 25476 5578 1 9 . 1 1 28 28 CYS C C 28 173.480 173.480 175.106 -1.626 25476 5579 1 9 . 1 1 28 28 CYS CA C 28 58.810 58.810 60.601 -1.791 25476 5580 1 9 . 1 1 28 28 CYS CB C 28 27.070 27.070 27.633 -0.563 25476 5581 1 9 . 1 1 28 28 CYS H H 28 7.510 7.510 8.047 -0.537 25476 5582 1 9 . 1 1 29 29 GLU N N 29 124.370 124.370 119.846 4.524 25476 5583 1 9 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.186 0.354 25476 5584 1 9 . 1 1 29 29 GLU C C 29 174.810 174.810 175.512 -0.702 25476 5585 1 9 . 1 1 29 29 GLU CA C 29 55.560 55.560 56.605 -1.045 25476 5586 1 9 . 1 1 29 29 GLU CB C 29 30.030 30.030 29.771 0.259 25476 5587 1 9 . 1 1 29 29 GLU H H 29 7.840 7.840 7.760 0.080 25476 5588 1 9 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.604 -0.024 25476 5589 1 9 . 1 1 31 31 ASN CA C 31 53.450 53.450 53.764 -0.314 25476 5590 1 9 . 1 1 31 31 ASN CB C 31 39.200 39.200 40.002 -0.802 25476 5591 1 9 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.586 0.924 25476 5592 1 9 . 1 1 32 32 ARG CA C 32 55.050 55.050 55.097 -0.047 25476 5593 1 9 . 1 1 32 32 ARG CB C 32 33.480 33.480 31.019 2.461 25476 5594 1 9 . 1 1 34 34 PHE HA H 34 5.240 5.240 5.238 0.002 25476 5595 1 9 . 1 1 34 34 PHE C C 34 172.210 172.210 173.840 -1.630 25476 5596 1 9 . 1 1 34 34 PHE CA C 34 57.690 57.690 56.218 1.472 25476 5597 1 9 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.803 2.297 25476 5598 1 9 . 1 1 35 35 PHE N N 35 125.800 125.800 125.963 -0.163 25476 5599 1 9 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.638 0.532 25476 5600 1 9 . 1 1 35 35 PHE C C 35 173.110 173.110 173.752 -0.642 25476 5601 1 9 . 1 1 35 35 PHE CA C 35 54.860 54.860 54.499 0.361 25476 5602 1 9 . 1 1 35 35 PHE CB C 35 43.250 43.250 41.366 1.884 25476 5603 1 9 . 1 1 35 35 PHE H H 35 8.660 8.660 7.427 1.233 25476 5604 1 9 . 1 1 36 36 ASP N N 36 120.960 120.960 121.257 -0.297 25476 5605 1 9 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.416 0.164 25476 5606 1 9 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.135 2.026 25476 5607 1 9 . 1 1 36 36 ASP CB C 36 41.030 41.030 39.895 1.135 25476 5608 1 9 . 1 1 36 36 ASP H H 36 9.370 9.370 8.386 0.984 25476 5609 1 9 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.662 -0.672 25476 5610 1 9 . 1 1 37 37 CYS C C 37 173.460 173.460 174.230 -0.770 25476 5611 1 9 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.389 0.221 25476 5612 1 9 . 1 1 37 37 CYS CB C 37 27.170 27.170 29.621 -2.451 25476 5613 1 9 . 1 1 38 38 LEU N N 38 131.890 131.890 126.036 5.854 25476 5614 1 9 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.922 -0.712 25476 5615 1 9 . 1 1 38 38 LEU C C 38 175.570 175.570 177.059 -1.489 25476 5616 1 9 . 1 1 38 38 LEU CA C 38 53.530 53.530 55.601 -2.071 25476 5617 1 9 . 1 1 38 38 LEU CB C 38 37.270 37.270 42.789 -5.519 25476 5618 1 9 . 1 1 38 38 LEU H H 38 8.430 8.430 8.727 -0.297 25476 5619 1 9 . 1 1 39 39 ALA N N 39 127.100 127.100 128.954 -1.854 25476 5620 1 9 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.611 -0.271 25476 5621 1 9 . 1 1 39 39 ALA C C 39 178.500 178.500 176.230 2.270 25476 5622 1 9 . 1 1 39 39 ALA CA C 39 55.380 55.380 52.897 2.483 25476 5623 1 9 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.596 0.514 25476 5624 1 9 . 1 1 39 39 ALA H H 39 7.960 7.960 8.709 -0.749 25476 5625 1 9 . 1 1 40 40 VAL N N 40 116.260 116.260 118.255 -1.995 25476 5626 1 9 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.401 0.219 25476 5627 1 9 . 1 1 40 40 VAL C C 40 173.990 173.990 175.115 -1.125 25476 5628 1 9 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.749 0.191 25476 5629 1 9 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.483 0.998 25476 5630 1 9 . 1 1 40 40 VAL H H 40 8.590 8.590 8.004 0.586 25476 5631 1 9 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.745 -0.865 25476 5632 1 9 . 1 1 41 41 CYS C C 41 174.640 174.640 176.579 -1.939 25476 5633 1 9 . 1 1 41 41 CYS CA C 41 59.280 59.280 60.182 -0.902 25476 5634 1 9 . 1 1 41 41 CYS CB C 41 26.700 26.700 27.601 -0.901 25476 5635 1 9 . 1 1 42 42 VAL N N 42 131.320 131.320 126.597 4.723 25476 5636 1 9 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.660 -0.180 25476 5637 1 9 . 1 1 42 42 VAL C C 42 176.270 176.270 175.924 0.346 25476 5638 1 9 . 1 1 42 42 VAL CA C 42 65.390 65.390 65.473 -0.083 25476 5639 1 9 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.727 0.113 25476 5640 1 9 . 1 1 42 42 VAL H H 42 8.610 8.610 8.730 -0.120 25476 5641 1 9 . 1 1 43 43 ASN N N 43 116.070 116.070 114.924 1.146 25476 5642 1 9 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.863 -0.073 25476 5643 1 9 . 1 1 43 43 ASN C C 43 175.160 175.160 173.562 1.598 25476 5644 1 9 . 1 1 43 43 ASN CA C 43 52.690 52.690 52.572 0.118 25476 5645 1 9 . 1 1 43 43 ASN CB C 43 39.940 39.940 41.139 -1.198 25476 5646 1 9 . 1 1 43 43 ASN H H 43 7.280 7.280 7.584 -0.304 25476 5647 1 9 . 1 1 44 44 VAL N N 44 121.350 121.350 119.623 1.727 25476 5648 1 9 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.150 -0.030 25476 5649 1 9 . 1 1 44 44 VAL C C 44 175.460 175.460 176.447 -0.987 25476 5650 1 9 . 1 1 44 44 VAL CA C 44 61.930 61.930 62.421 -0.491 25476 5651 1 9 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.773 -1.143 25476 5652 1 9 . 1 1 44 44 VAL H H 44 8.520 8.520 8.339 0.181 25476 5653 1 9 . 1 1 45 45 LYS N N 45 123.190 123.190 119.536 3.654 25476 5654 1 9 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.292 -0.082 25476 5655 1 9 . 1 1 45 45 LYS CA C 45 59.080 59.080 57.545 1.535 25476 5656 1 9 . 1 1 45 45 LYS CB C 45 30.500 30.500 29.780 0.720 25476 5657 1 9 . 1 1 45 45 LYS H H 45 8.100 8.100 8.134 -0.034 25476 5658 1 9 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.438 -0.068 25476 5659 1 9 . 1 1 46 46 PRO C C 46 174.380 174.380 175.974 -1.594 25476 5660 1 9 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.349 0.712 25476 5661 1 9 . 1 1 46 46 PRO CB C 46 31.660 31.660 32.185 -0.525 25476 5662 1 9 . 1 1 47 47 ALA N N 47 124.500 124.500 122.606 1.894 25476 5663 1 9 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.239 0.231 25476 5664 1 9 . 1 1 47 47 ALA C C 47 176.130 176.130 177.984 -1.854 25476 5665 1 9 . 1 1 47 47 ALA CA C 47 50.740 50.740 52.067 -1.327 25476 5666 1 9 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.147 -0.847 25476 5667 1 9 . 1 1 47 47 ALA H H 47 8.300 8.300 8.457 -0.157 25476 5668 1 9 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.275 -0.465 25476 5669 1 9 . 1 1 48 48 PRO C C 48 178.270 178.270 176.765 1.505 25476 5670 1 9 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.672 1.478 25476 5671 1 9 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.259 -0.269 25476 5672 1 9 . 1 1 49 49 GLU N N 49 116.300 116.300 114.371 1.929 25476 5673 1 9 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.163 0.127 25476 5674 1 9 . 1 1 49 49 GLU C C 49 176.550 176.550 177.242 -0.692 25476 5675 1 9 . 1 1 49 49 GLU CA C 49 58.120 58.120 57.506 0.614 25476 5676 1 9 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.566 -0.276 25476 5677 1 9 . 1 1 49 49 GLU H H 49 9.390 9.390 8.696 0.694 25476 5678 1 9 . 1 1 50 50 LYS N N 50 120.030 120.030 117.464 2.566 25476 5679 1 9 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.296 0.164 25476 5680 1 9 . 1 1 50 50 LYS C C 50 175.070 175.070 176.035 -0.965 25476 5681 1 9 . 1 1 50 50 LYS CA C 50 54.670 54.670 56.206 -1.536 25476 5682 1 9 . 1 1 50 50 LYS CB C 50 33.170 33.170 34.080 -0.910 25476 5683 1 9 . 1 1 50 50 LYS H H 50 8.350 8.350 7.432 0.918 25476 5684 1 9 . 1 1 51 51 ARG N N 51 119.720 119.720 120.575 -0.855 25476 5685 1 9 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.225 0.075 25476 5686 1 9 . 1 1 51 51 ARG C C 51 174.530 174.530 174.240 0.290 25476 5687 1 9 . 1 1 51 51 ARG CA C 51 56.690 56.690 55.350 1.340 25476 5688 1 9 . 1 1 51 51 ARG CB C 51 32.000 32.000 31.983 0.017 25476 5689 1 9 . 1 1 51 51 ARG H H 51 7.220 7.220 7.311 -0.091 25476 5690 1 9 . 1 1 52 52 GLU N N 52 119.700 119.700 117.980 1.720 25476 5691 1 9 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.030 0.660 25476 5692 1 9 . 1 1 52 52 GLU C C 52 175.260 175.260 174.521 0.739 25476 5693 1 9 . 1 1 52 52 GLU CA C 52 54.730 54.730 53.614 1.116 25476 5694 1 9 . 1 1 52 52 GLU H H 52 8.690 8.690 7.991 0.699 25476 5695 1 9 . 1 1 53 53 PHE N N 53 116.950 116.950 117.552 -0.602 25476 5696 1 9 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.905 0.255 25476 5697 1 9 . 1 1 53 53 PHE C C 53 174.970 174.970 175.080 -0.110 25476 5698 1 9 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.842 1.118 25476 5699 1 9 . 1 1 53 53 PHE CB C 53 44.210 44.210 41.744 2.466 25476 5700 1 9 . 1 1 53 53 PHE H H 53 8.590 8.590 7.705 0.885 25476 5701 1 9 . 1 1 54 54 TRP N N 54 123.100 123.100 120.909 2.191 25476 5702 1 9 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.843 1.057 25476 5703 1 9 . 1 1 54 54 TRP C C 54 177.820 177.820 176.654 1.166 25476 5704 1 9 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.493 -1.253 25476 5705 1 9 . 1 1 54 54 TRP CB C 54 31.870 31.870 31.321 0.549 25476 5706 1 9 . 1 1 54 54 TRP H H 54 9.520 9.520 8.190 1.330 25476 5707 1 9 . 1 1 55 55 GLY N N 55 110.840 110.840 107.348 3.492 25476 5708 1 9 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.456 1.784 25476 5709 1 9 . 1 1 55 55 GLY H H 55 9.550 9.550 8.680 0.870 25476 5710 1 9 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.175 1.035 25476 5711 1 9 . 1 1 57 57 TRP CA C 57 57.700 57.700 55.674 2.026 25476 5712 1 9 . 1 1 58 58 MET N N 58 122.630 122.630 124.376 -1.746 25476 5713 1 9 . 1 1 58 58 MET HA H 58 4.370 4.370 4.769 -0.399 25476 5714 1 9 . 1 1 58 58 MET CA C 58 55.230 55.230 54.916 0.314 25476 5715 1 9 . 1 1 58 58 MET CB C 58 35.910 35.910 33.981 1.929 25476 5716 1 9 . 1 1 58 58 MET H H 58 9.680 9.680 7.563 2.117 25476 5717 1 9 . 1 1 59 59 GLU HA H 59 5.430 5.430 5.370 0.060 25476 5718 1 9 . 1 1 59 59 GLU C C 59 175.570 175.570 175.085 0.485 25476 5719 1 9 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.148 0.112 25476 5720 1 9 . 1 1 60 60 LEU N N 60 126.920 126.920 118.173 8.747 25476 5721 1 9 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.844 1.216 25476 5722 1 9 . 1 1 60 60 LEU C C 60 176.470 176.470 174.893 1.577 25476 5723 1 9 . 1 1 60 60 LEU CA C 60 52.610 52.610 52.947 -0.337 25476 5724 1 9 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.011 2.469 25476 5725 1 9 . 1 1 60 60 LEU H H 60 9.610 9.610 7.609 2.001 25476 5726 1 9 . 1 1 61 61 GLU N N 61 123.560 123.560 119.895 3.665 25476 5727 1 9 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.550 0.630 25476 5728 1 9 . 1 1 61 61 GLU C C 61 174.930 174.930 175.232 -0.302 25476 5729 1 9 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.326 0.724 25476 5730 1 9 . 1 1 61 61 GLU CB C 61 32.200 32.200 31.921 0.279 25476 5731 1 9 . 1 1 61 61 GLU H H 61 9.070 9.070 8.415 0.655 25476 5732 1 9 . 1 1 62 62 ALA N N 62 129.830 129.830 129.315 0.515 25476 5733 1 9 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.115 0.005 25476 5734 1 9 . 1 1 62 62 ALA C C 62 175.760 175.760 176.277 -0.517 25476 5735 1 9 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.123 0.557 25476 5736 1 9 . 1 1 62 62 ALA CB C 62 21.330 21.330 19.008 2.322 25476 5737 1 9 . 1 1 62 62 ALA H H 62 9.030 9.030 8.361 0.669 25476 5738 1 9 . 1 1 63 63 GLN N N 63 122.550 122.550 122.697 -0.147 25476 5739 1 9 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.147 0.603 25476 5740 1 9 . 1 1 63 63 GLN C C 63 175.470 175.470 177.412 -1.942 25476 5741 1 9 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.282 -0.342 25476 5742 1 9 . 1 1 63 63 GLN CB C 63 29.650 29.650 30.078 -0.428 25476 5743 1 9 . 1 1 63 63 GLN H H 63 8.170 8.170 8.100 0.070 25476 5744 1 9 . 1 1 64 64 GLU N N 64 120.760 120.760 118.784 1.976 25476 5745 1 9 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.158 -0.608 25476 5746 1 9 . 1 1 64 64 GLU C C 64 176.740 176.740 176.472 0.268 25476 5747 1 9 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.130 2.210 25476 5748 1 9 . 1 1 64 64 GLU CB C 64 29.620 29.620 30.036 -0.416 25476 5749 1 9 . 1 1 64 64 GLU H H 64 8.730 8.730 8.410 0.320 25476 5750 1 9 . 1 1 65 65 LYS N N 65 112.820 112.820 111.988 0.832 25476 5751 1 9 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.365 0.265 25476 5752 1 9 . 1 1 65 65 LYS C C 65 175.960 175.960 174.557 1.403 25476 5753 1 9 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.510 -0.719 25476 5754 1 9 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.061 1.239 25476 5755 1 9 . 1 1 65 65 LYS H H 65 8.750 8.750 7.794 0.956 25476 5756 1 9 . 1 1 66 66 ARG N N 66 115.100 115.100 120.141 -5.041 25476 5757 1 9 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.612 0.688 25476 5758 1 9 . 1 1 66 66 ARG C C 66 172.980 172.980 173.217 -0.237 25476 5759 1 9 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.710 -2.180 25476 5760 1 9 . 1 1 66 66 ARG CB C 66 33.000 33.000 33.548 -0.548 25476 5761 1 9 . 1 1 66 66 ARG H H 66 7.520 7.520 7.602 -0.082 25476 5762 1 9 . 1 1 67 67 PHE N N 67 119.960 119.960 123.091 -3.131 25476 5763 1 9 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.862 0.878 25476 5764 1 9 . 1 1 67 67 PHE C C 67 176.040 176.040 174.649 1.391 25476 5765 1 9 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.204 -1.084 25476 5766 1 9 . 1 1 67 67 PHE CB C 67 41.950 41.950 43.526 -1.577 25476 5767 1 9 . 1 1 67 67 PHE H H 67 9.220 9.220 8.829 0.391 25476 5768 1 9 . 1 1 68 68 THR N N 68 111.030 111.030 117.402 -6.372 25476 5769 1 9 . 1 1 68 68 THR HA H 68 6.310 6.310 4.737 1.573 25476 5770 1 9 . 1 1 68 68 THR C C 68 175.340 175.340 172.657 2.683 25476 5771 1 9 . 1 1 68 68 THR CA C 68 57.990 57.990 60.044 -2.054 25476 5772 1 9 . 1 1 68 68 THR CB C 68 70.260 70.260 70.832 -0.572 25476 5773 1 9 . 1 1 68 68 THR H H 68 9.200 9.200 8.102 1.098 25476 5774 1 9 . 1 1 69 69 TYR N N 69 115.700 115.700 119.500 -3.800 25476 5775 1 9 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.846 1.244 25476 5776 1 9 . 1 1 69 69 TYR C C 69 173.310 173.310 173.678 -0.368 25476 5777 1 9 . 1 1 69 69 TYR CA C 69 55.500 55.500 57.684 -2.184 25476 5778 1 9 . 1 1 69 69 TYR CB C 69 44.600 44.600 42.155 2.445 25476 5779 1 9 . 1 1 69 69 TYR H H 69 8.190 8.190 8.703 -0.513 25476 5780 1 9 . 1 1 70 70 ARG N N 70 115.070 115.070 118.439 -3.369 25476 5781 1 9 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.672 0.838 25476 5782 1 9 . 1 1 70 70 ARG C C 70 175.220 175.220 174.662 0.558 25476 5783 1 9 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.816 0.335 25476 5784 1 9 . 1 1 70 70 ARG CB C 70 32.780 32.780 34.590 -1.810 25476 5785 1 9 . 1 1 70 70 ARG H H 70 8.160 8.160 8.457 -0.297 25476 5786 1 9 . 1 1 71 71 TYR N N 71 118.750 118.750 119.242 -0.492 25476 5787 1 9 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.703 -0.583 25476 5788 1 9 . 1 1 71 71 TYR H H 71 9.220 9.220 7.856 1.364 25476 5789 1 9 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.554 -0.134 25476 5790 1 9 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.322 0.527 25476 5791 1 9 . 1 1 72 72 GLN CB C 72 30.990 30.990 32.523 -1.533 25476 5792 1 9 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.639 1.191 25476 5793 1 9 . 1 1 73 73 PHE C C 73 177.280 177.280 176.230 1.050 25476 5794 1 9 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.730 -4.050 25476 5795 1 9 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.749 -0.949 25476 5796 1 9 . 1 1 74 74 GLY N N 74 108.520 108.520 106.994 1.526 25476 5797 1 9 . 1 1 74 74 GLY CA C 74 47.480 47.480 44.984 2.496 25476 5798 1 9 . 1 1 74 74 GLY H H 74 9.350 9.350 8.205 1.145 25476 5799 1 9 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.166 0.204 25476 5800 1 9 . 1 1 75 75 LEU C C 75 174.270 174.270 175.268 -0.998 25476 5801 1 9 . 1 1 75 75 LEU CA C 75 53.790 53.790 53.780 0.010 25476 5802 1 9 . 1 1 75 75 LEU CB C 75 46.860 46.860 45.093 1.767 25476 5803 1 9 . 1 1 76 76 PHE N N 76 135.230 135.230 129.243 5.987 25476 5804 1 9 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.224 -0.884 25476 5805 1 9 . 1 1 76 76 PHE C C 76 174.690 174.690 174.202 0.488 25476 5806 1 9 . 1 1 76 76 PHE CA C 76 56.900 56.900 55.389 1.512 25476 5807 1 9 . 1 1 76 76 PHE H H 76 9.840 9.840 8.574 1.266 25476 5808 1 9 . 1 1 77 77 ASP N N 77 125.580 125.580 127.994 -2.414 25476 5809 1 9 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.449 -0.119 25476 5810 1 9 . 1 1 77 77 ASP C C 77 178.310 178.310 176.935 1.375 25476 5811 1 9 . 1 1 77 77 ASP CA C 77 52.750 52.750 53.473 -0.723 25476 5812 1 9 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.524 -1.064 25476 5813 1 9 . 1 1 77 77 ASP H H 77 7.940 7.940 7.731 0.209 25476 5814 1 9 . 1 1 78 78 LYS N N 78 116.610 116.610 119.249 -2.639 25476 5815 1 9 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.930 0.160 25476 5816 1 9 . 1 1 78 78 LYS C C 78 176.910 176.910 177.265 -0.355 25476 5817 1 9 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.995 -1.415 25476 5818 1 9 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.380 -1.350 25476 5819 1 9 . 1 1 78 78 LYS H H 78 9.030 9.030 8.396 0.634 25476 5820 1 9 . 1 1 79 79 GLU N N 79 120.510 120.510 117.427 3.083 25476 5821 1 9 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.373 -0.113 25476 5822 1 9 . 1 1 79 79 GLU C C 79 176.160 176.160 176.828 -0.668 25476 5823 1 9 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.694 -1.364 25476 5824 1 9 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.182 0.238 25476 5825 1 9 . 1 1 79 79 GLU H H 79 7.850 7.850 8.043 -0.193 25476 5826 1 9 . 1 1 80 80 GLY N N 80 109.610 109.610 106.667 2.943 25476 5827 1 9 . 1 1 80 80 GLY C C 80 172.820 172.820 173.971 -1.151 25476 5828 1 9 . 1 1 80 80 GLY CA C 80 45.380 45.380 44.900 0.480 25476 5829 1 9 . 1 1 80 80 GLY H H 80 7.800 7.800 7.889 -0.089 25476 5830 1 9 . 1 1 81 81 ASN N N 81 117.680 117.680 118.257 -0.577 25476 5831 1 9 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.475 0.235 25476 5832 1 9 . 1 1 81 81 ASN C C 81 174.110 174.110 175.229 -1.119 25476 5833 1 9 . 1 1 81 81 ASN CA C 81 51.160 51.160 53.203 -2.042 25476 5834 1 9 . 1 1 81 81 ASN CB C 81 40.160 40.160 39.241 0.919 25476 5835 1 9 . 1 1 81 81 ASN H H 81 7.560 7.560 7.978 -0.418 25476 5836 1 9 . 1 1 82 82 TRP N N 82 122.870 122.870 123.858 -0.988 25476 5837 1 9 . 1 1 82 82 TRP HA H 82 5.150 5.150 5.130 0.020 25476 5838 1 9 . 1 1 82 82 TRP C C 82 177.480 177.480 175.726 1.754 25476 5839 1 9 . 1 1 82 82 TRP CA C 82 57.260 57.260 55.684 1.576 25476 5840 1 9 . 1 1 82 82 TRP H H 82 8.480 8.480 7.607 0.873 25476 5841 1 9 . 1 1 83 83 THR N N 83 118.050 118.050 120.772 -2.722 25476 5842 1 9 . 1 1 83 83 THR HA H 83 4.820 4.820 4.814 0.006 25476 5843 1 9 . 1 1 83 83 THR C C 83 173.630 173.630 173.406 0.224 25476 5844 1 9 . 1 1 83 83 THR CA C 83 60.470 60.470 61.758 -1.288 25476 5845 1 9 . 1 1 83 83 THR CB C 83 72.050 72.050 72.480 -0.430 25476 5846 1 9 . 1 1 83 83 THR H H 83 9.280 9.280 8.737 0.543 25476 5847 1 9 . 1 1 84 84 VAL N N 84 125.990 125.990 122.032 3.958 25476 5848 1 9 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.824 -0.294 25476 5849 1 9 . 1 1 84 84 VAL C C 84 175.440 175.440 174.655 0.785 25476 5850 1 9 . 1 1 84 84 VAL CA C 84 64.280 64.280 61.696 2.584 25476 5851 1 9 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.540 0.090 25476 5852 1 9 . 1 1 84 84 VAL H H 84 9.100 9.100 8.564 0.536 25476 5853 1 9 . 1 1 85 85 VAL N N 85 124.640 124.640 123.906 0.734 25476 5854 1 9 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.766 0.204 25476 5855 1 9 . 1 1 85 85 VAL CA C 85 58.050 58.050 59.073 -1.023 25476 5856 1 9 . 1 1 85 85 VAL CB C 85 35.190 35.190 32.464 2.726 25476 5857 1 9 . 1 1 85 85 VAL H H 85 7.430 7.430 8.331 -0.901 25476 5858 1 9 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.499 -0.019 25476 5859 1 9 . 1 1 86 86 PRO C C 86 175.970 175.970 175.694 0.276 25476 5860 1 9 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.591 0.329 25476 5861 1 9 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.178 -0.248 25476 5862 1 9 . 1 1 87 87 ILE N N 87 123.980 123.980 120.436 3.544 25476 5863 1 9 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.240 0.680 25476 5864 1 9 . 1 1 87 87 ILE C C 87 175.510 175.510 176.082 -0.572 25476 5865 1 9 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.806 0.313 25476 5866 1 9 . 1 1 87 87 ILE CB C 87 37.550 37.550 37.847 -0.297 25476 5867 1 9 . 1 1 87 87 ILE H H 87 8.500 8.500 7.885 0.615 25476 5868 1 9 . 1 1 88 88 ASN N N 88 119.050 119.050 122.045 -2.995 25476 5869 1 9 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.538 -0.178 25476 5870 1 9 . 1 1 88 88 ASN CA C 88 52.210 52.210 53.206 -0.996 25476 5871 1 9 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.108 -1.368 25476 5872 1 9 . 1 1 88 88 ASN H H 88 8.390 8.390 7.940 0.450 25476 5873 1 9 . 1 1 90 90 THR HA H 90 3.800 3.800 3.946 -0.146 25476 5874 1 9 . 1 1 90 90 THR C C 90 175.860 175.860 175.936 -0.076 25476 5875 1 9 . 1 1 90 90 THR CA C 90 66.300 66.300 66.087 0.213 25476 5876 1 9 . 1 1 90 90 THR CB C 90 68.380 68.380 68.494 -0.114 25476 5877 1 9 . 1 1 91 91 GLU N N 91 120.430 120.430 119.486 0.944 25476 5878 1 9 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.024 0.086 25476 5879 1 9 . 1 1 91 91 GLU C C 91 179.320 179.320 178.614 0.706 25476 5880 1 9 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.122 0.338 25476 5881 1 9 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.874 0.166 25476 5882 1 9 . 1 1 91 91 GLU H H 91 9.440 9.440 8.582 0.858 25476 5883 1 9 . 1 1 92 92 VAL N N 92 119.810 119.810 120.289 -0.479 25476 5884 1 9 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.925 -0.305 25476 5885 1 9 . 1 1 92 92 VAL C C 92 177.270 177.270 178.000 -0.730 25476 5886 1 9 . 1 1 92 92 VAL CA C 92 65.950 65.950 64.784 1.166 25476 5887 1 9 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.489 -0.009 25476 5888 1 9 . 1 1 92 92 VAL H H 92 7.010 7.010 7.670 -0.660 25476 5889 1 9 . 1 1 93 93 VAL N N 93 120.570 120.570 120.882 -0.312 25476 5890 1 9 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.515 -0.225 25476 5891 1 9 . 1 1 93 93 VAL C C 93 177.970 177.970 177.972 -0.002 25476 5892 1 9 . 1 1 93 93 VAL CA C 93 67.350 67.350 65.942 1.408 25476 5893 1 9 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.073 0.387 25476 5894 1 9 . 1 1 93 93 VAL H H 93 7.720 7.720 7.489 0.231 25476 5895 1 9 . 1 1 94 94 GLU N N 94 118.100 118.100 118.560 -0.460 25476 5896 1 9 . 1 1 94 94 GLU HA H 94 4.110 4.110 3.976 0.134 25476 5897 1 9 . 1 1 94 94 GLU C C 94 179.420 179.420 179.069 0.351 25476 5898 1 9 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.849 -0.199 25476 5899 1 9 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.381 0.008 25476 5900 1 9 . 1 1 94 94 GLU H H 94 8.320 8.320 8.312 0.009 25476 5901 1 9 . 1 1 95 95 ARG N N 95 120.330 120.330 120.353 -0.023 25476 5902 1 9 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.273 0.097 25476 5903 1 9 . 1 1 95 95 ARG C C 95 179.510 179.510 178.780 0.730 25476 5904 1 9 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.317 -0.777 25476 5905 1 9 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.648 -0.028 25476 5906 1 9 . 1 1 95 95 ARG H H 95 7.350 7.350 7.914 -0.564 25476 5907 1 9 . 1 1 96 96 LEU N N 96 124.600 124.600 120.509 4.091 25476 5908 1 9 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.552 -0.722 25476 5909 1 9 . 1 1 96 96 LEU C C 96 177.600 177.600 179.742 -2.142 25476 5910 1 9 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.636 1.653 25476 5911 1 9 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.108 -1.508 25476 5912 1 9 . 1 1 96 96 LEU H H 96 8.600 8.600 7.841 0.759 25476 5913 1 9 . 1 1 97 97 GLU N N 97 118.190 118.190 120.063 -1.873 25476 5914 1 9 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.043 -0.303 25476 5915 1 9 . 1 1 97 97 GLU C C 97 177.630 177.630 179.004 -1.374 25476 5916 1 9 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.786 0.654 25476 5917 1 9 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.370 -1.150 25476 5918 1 9 . 1 1 97 97 GLU H H 97 8.540 8.540 8.110 0.430 25476 5919 1 9 . 1 1 98 98 TYR N N 98 119.160 119.160 119.867 -0.707 25476 5920 1 9 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.292 -0.222 25476 5921 1 9 . 1 1 98 98 TYR C C 98 179.010 179.010 177.282 1.728 25476 5922 1 9 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.623 0.497 25476 5923 1 9 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.825 -0.035 25476 5924 1 9 . 1 1 98 98 TYR H H 98 8.380 8.380 7.798 0.582 25476 5925 1 9 . 1 1 99 99 THR N N 99 109.220 109.220 115.736 -6.516 25476 5926 1 9 . 1 1 99 99 THR HA H 99 4.310 4.310 4.088 0.222 25476 5927 1 9 . 1 1 99 99 THR C C 99 178.320 178.320 176.757 1.563 25476 5928 1 9 . 1 1 99 99 THR CA C 99 64.890 64.890 65.865 -0.975 25476 5929 1 9 . 1 1 99 99 THR CB C 99 69.810 69.810 68.513 1.297 25476 5930 1 9 . 1 1 99 99 THR H H 99 8.480 8.480 8.439 0.041 25476 5931 1 9 . 1 1 100 100 LEU N N 100 128.250 128.250 120.095 8.155 25476 5932 1 9 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.267 -0.727 25476 5933 1 9 . 1 1 100 100 LEU C C 100 177.870 177.870 178.373 -0.503 25476 5934 1 9 . 1 1 100 100 LEU CA C 100 58.200 58.200 58.058 0.142 25476 5935 1 9 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.611 0.849 25476 5936 1 9 . 1 1 100 100 LEU H H 100 8.200 8.200 7.891 0.309 25476 5937 1 9 . 1 1 101 101 ARG N N 101 118.550 118.550 119.739 -1.189 25476 5938 1 9 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.906 -0.296 25476 5939 1 9 . 1 1 101 101 ARG C C 101 178.930 178.930 178.614 0.316 25476 5940 1 9 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.066 1.394 25476 5941 1 9 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.722 -0.432 25476 5942 1 9 . 1 1 101 101 ARG H H 101 8.440 8.440 7.627 0.813 25476 5943 1 9 . 1 1 102 102 GLU N N 102 119.760 119.760 118.735 1.025 25476 5944 1 9 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.023 -0.103 25476 5945 1 9 . 1 1 102 102 GLU C C 102 178.360 178.360 178.820 -0.460 25476 5946 1 9 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.449 0.501 25476 5947 1 9 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.018 1.002 25476 5948 1 9 . 1 1 102 102 GLU H H 102 7.970 7.970 7.845 0.125 25476 5949 1 9 . 1 1 103 103 PHE N N 103 119.570 119.570 121.394 -1.824 25476 5950 1 9 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.109 -0.189 25476 5951 1 9 . 1 1 103 103 PHE C C 103 175.350 175.350 177.172 -1.822 25476 5952 1 9 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.728 -0.929 25476 5953 1 9 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.367 0.173 25476 5954 1 9 . 1 1 103 103 PHE H H 103 7.630 7.630 8.309 -0.679 25476 5955 1 9 . 1 1 104 104 HIS N N 104 119.160 119.160 118.905 0.255 25476 5956 1 9 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.193 -1.163 25476 5957 1 9 . 1 1 104 104 HIS C C 104 175.460 175.460 177.224 -1.764 25476 5958 1 9 . 1 1 104 104 HIS CA C 104 60.710 60.710 59.853 0.857 25476 5959 1 9 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.916 1.815 25476 5960 1 9 . 1 1 104 104 HIS H H 104 8.800 8.800 7.830 0.970 25476 5961 1 9 . 1 1 105 105 GLU N N 105 117.900 117.900 119.214 -1.314 25476 5962 1 9 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.979 -0.539 25476 5963 1 9 . 1 1 105 105 GLU C C 105 177.990 177.990 178.758 -0.768 25476 5964 1 9 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.712 -0.102 25476 5965 1 9 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.640 -0.340 25476 5966 1 9 . 1 1 105 105 GLU H H 105 7.890 7.890 7.691 0.199 25476 5967 1 9 . 1 1 106 106 LYS N N 106 117.260 117.260 118.332 -1.072 25476 5968 1 9 . 1 1 106 106 LYS HA H 106 3.970 3.970 4.044 -0.074 25476 5969 1 9 . 1 1 106 106 LYS C C 106 179.570 179.570 178.789 0.781 25476 5970 1 9 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.928 -0.218 25476 5971 1 9 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.183 0.597 25476 5972 1 9 . 1 1 106 106 LYS H H 106 6.870 6.870 7.519 -0.649 25476 5973 1 9 . 1 1 107 107 LEU N N 107 123.180 123.180 121.607 1.573 25476 5974 1 9 . 1 1 107 107 LEU HA H 107 3.450 3.450 4.034 -0.584 25476 5975 1 9 . 1 1 107 107 LEU C C 107 177.170 177.170 178.530 -1.360 25476 5976 1 9 . 1 1 107 107 LEU CA C 107 57.340 57.340 56.590 0.750 25476 5977 1 9 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.809 0.431 25476 5978 1 9 . 1 1 107 107 LEU H H 107 8.020 8.020 7.738 0.282 25476 5979 1 9 . 1 1 108 108 ARG N N 108 120.070 120.070 119.726 0.344 25476 5980 1 9 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.681 -0.271 25476 5981 1 9 . 1 1 108 108 ARG C C 108 178.460 178.460 178.109 0.351 25476 5982 1 9 . 1 1 108 108 ARG CA C 108 59.640 59.640 60.389 -0.749 25476 5983 1 9 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.872 -0.662 25476 5984 1 9 . 1 1 108 108 ARG H H 108 8.680 8.680 8.184 0.496 25476 5985 1 9 . 1 1 109 109 ASP N N 109 119.480 119.480 119.634 -0.154 25476 5986 1 9 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.316 -0.006 25476 5987 1 9 . 1 1 109 109 ASP C C 109 178.900 178.900 178.462 0.438 25476 5988 1 9 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.257 -0.117 25476 5989 1 9 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.516 -0.646 25476 5990 1 9 . 1 1 109 109 ASP H H 109 7.890 7.890 7.528 0.362 25476 5991 1 9 . 1 1 110 110 LEU N N 110 122.740 122.740 121.084 1.656 25476 5992 1 9 . 1 1 110 110 LEU HA H 110 4.100 4.100 4.023 0.077 25476 5993 1 9 . 1 1 110 110 LEU C C 110 179.830 179.830 178.758 1.072 25476 5994 1 9 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.775 -0.095 25476 5995 1 9 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.858 -0.568 25476 5996 1 9 . 1 1 110 110 LEU H H 110 7.650 7.650 7.326 0.324 25476 5997 1 9 . 1 1 111 111 LEU N N 111 122.170 122.170 119.100 3.070 25476 5998 1 9 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.829 0.001 25476 5999 1 9 . 1 1 111 111 LEU C C 111 179.990 179.990 179.222 0.768 25476 6000 1 9 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.346 0.264 25476 6001 1 9 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.360 -1.980 25476 6002 1 9 . 1 1 111 111 LEU H H 111 8.320 8.320 7.652 0.668 25476 6003 1 9 . 1 1 112 112 ILE N N 112 122.490 122.490 119.315 3.175 25476 6004 1 9 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.578 0.392 25476 6005 1 9 . 1 1 112 112 ILE C C 112 180.930 180.930 178.048 2.882 25476 6006 1 9 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.402 -0.742 25476 6007 1 9 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.716 -0.396 25476 6008 1 9 . 1 1 112 112 ILE H H 112 8.790 8.790 8.325 0.465 25476 6009 1 9 . 1 1 113 113 SER N N 113 119.860 119.860 115.068 4.792 25476 6010 1 9 . 1 1 113 113 SER HA H 113 4.400 4.400 4.236 0.164 25476 6011 1 9 . 1 1 113 113 SER C C 113 174.520 174.520 175.787 -1.267 25476 6012 1 9 . 1 1 113 113 SER CA C 113 61.390 61.390 60.845 0.545 25476 6013 1 9 . 1 1 113 113 SER CB C 113 62.630 62.630 63.254 -0.624 25476 6014 1 9 . 1 1 113 113 SER H H 113 7.720 7.720 7.779 -0.059 25476 6015 1 9 . 1 1 114 114 MET N N 114 121.890 121.890 119.101 2.789 25476 6016 1 9 . 1 1 114 114 MET HA H 114 4.530 4.530 4.513 0.017 25476 6017 1 9 . 1 1 114 114 MET C C 114 173.850 173.850 175.164 -1.314 25476 6018 1 9 . 1 1 114 114 MET CA C 114 55.330 55.330 55.722 -0.392 25476 6019 1 9 . 1 1 114 114 MET CB C 114 34.040 34.040 33.424 0.616 25476 6020 1 9 . 1 1 114 114 MET H H 114 7.480 7.480 7.217 0.263 25476 6021 1 9 . 1 1 115 115 GLU N N 115 114.160 114.160 115.631 -1.471 25476 6022 1 9 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.965 -0.065 25476 6023 1 9 . 1 1 115 115 GLU C C 115 174.880 174.880 175.142 -0.262 25476 6024 1 9 . 1 1 115 115 GLU CA C 115 57.270 57.270 56.983 0.288 25476 6025 1 9 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.073 -0.563 25476 6026 1 9 . 1 1 115 115 GLU H H 115 8.110 8.110 7.910 0.200 25476 6027 1 9 . 1 1 116 116 LEU N N 116 119.870 119.870 119.902 -0.032 25476 6028 1 9 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.470 0.190 25476 6029 1 9 . 1 1 116 116 LEU C C 116 174.910 174.910 176.562 -1.652 25476 6030 1 9 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.531 -0.431 25476 6031 1 9 . 1 1 116 116 LEU CB C 116 45.570 45.570 43.105 2.465 25476 6032 1 9 . 1 1 116 116 LEU H H 116 7.970 7.970 7.891 0.079 25476 6033 1 9 . 1 1 117 117 ALA N N 117 123.730 123.730 128.691 -4.961 25476 6034 1 9 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.385 0.065 25476 6035 1 9 . 1 1 117 117 ALA C C 117 174.870 174.870 175.709 -0.839 25476 6036 1 9 . 1 1 117 117 ALA CA C 117 50.870 50.870 52.711 -1.841 25476 6037 1 9 . 1 1 117 117 ALA CB C 117 20.700 20.700 19.923 0.777 25476 6038 1 9 . 1 1 117 117 ALA H H 117 7.530 7.530 8.298 -0.768 25476 6039 1 9 . 1 1 118 118 LEU N N 118 121.610 121.610 123.069 -1.459 25476 6040 1 9 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.444 0.036 25476 6041 1 9 . 1 1 118 118 LEU C C 118 175.560 175.560 175.710 -0.150 25476 6042 1 9 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.480 -0.640 25476 6043 1 9 . 1 1 118 118 LEU CB C 118 43.490 43.490 45.338 -1.848 25476 6044 1 9 . 1 1 118 118 LEU H H 118 8.250 8.250 8.304 -0.054 25476 6045 1 9 . 1 1 119 119 GLU N N 119 127.300 127.300 124.160 3.140 25476 6046 1 9 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.944 0.175 25476 6047 1 9 . 1 1 119 119 GLU C C 119 171.510 171.510 174.344 -2.834 25476 6048 1 9 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.704 -0.734 25476 6049 1 9 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.168 0.702 25476 6050 1 9 . 1 1 119 119 GLU H H 119 8.730 8.730 8.916 -0.186 25476 6051 1 9 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.528 0.042 25476 6052 1 9 . 1 1 120 120 PRO C C 120 176.420 176.420 176.265 0.155 25476 6053 1 9 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.463 -0.703 25476 6054 1 9 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.493 -0.103 25476 6055 1 9 . 1 1 121 121 SER N N 121 117.040 117.040 114.989 2.051 25476 6056 1 9 . 1 1 121 121 SER HA H 121 4.060 4.060 4.422 -0.362 25476 6057 1 9 . 1 1 121 121 SER C C 121 175.150 175.150 175.684 -0.534 25476 6058 1 9 . 1 1 121 121 SER CA C 121 59.230 59.230 58.351 0.879 25476 6059 1 9 . 1 1 121 121 SER CB C 121 62.970 62.970 63.859 -0.889 25476 6060 1 9 . 1 1 121 121 SER H H 121 8.690 8.690 8.302 0.388 25476 6061 1 9 . 1 1 122 122 ASP N N 122 124.140 124.140 123.791 0.349 25476 6062 1 9 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.464 -0.094 25476 6063 1 9 . 1 1 122 122 ASP C C 122 176.240 176.240 176.163 0.077 25476 6064 1 9 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.277 0.823 25476 6065 1 9 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.984 -0.794 25476 6066 1 9 . 1 1 122 122 ASP H H 122 8.830 8.830 8.874 -0.044 25476 6067 1 9 . 1 1 123 123 ASP N N 123 115.720 115.720 117.976 -2.256 25476 6068 1 9 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.775 -0.155 25476 6069 1 9 . 1 1 123 123 ASP C C 123 174.850 174.850 175.483 -0.633 25476 6070 1 9 . 1 1 123 123 ASP CA C 123 52.790 52.790 54.214 -1.424 25476 6071 1 9 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.609 -0.340 25476 6072 1 9 . 1 1 123 123 ASP H H 123 8.210 8.210 8.310 -0.100 25476 6073 1 9 . 1 1 124 124 PHE N N 124 122.440 122.440 122.480 -0.040 25476 6074 1 9 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.821 0.209 25476 6075 1 9 . 1 1 124 124 PHE C C 124 174.040 174.040 174.982 -0.942 25476 6076 1 9 . 1 1 124 124 PHE CA C 124 56.040 56.040 56.802 -0.762 25476 6077 1 9 . 1 1 124 124 PHE CB C 124 42.170 42.170 39.252 2.918 25476 6078 1 9 . 1 1 124 124 PHE H H 124 8.060 8.060 7.666 0.394 25476 6079 1 9 . 1 1 125 125 ASN N N 125 126.850 126.850 125.979 0.871 25476 6080 1 9 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.578 0.162 25476 6081 1 9 . 1 1 125 125 ASN C C 125 175.070 175.070 174.566 0.504 25476 6082 1 9 . 1 1 125 125 ASN CA C 125 53.430 53.430 52.026 1.404 25476 6083 1 9 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.324 0.406 25476 6084 1 9 . 1 1 125 125 ASN H H 125 7.700 7.700 8.221 -0.521 25476 6085 1 9 . 1 1 126 126 ASP N N 126 120.330 120.330 119.451 0.879 25476 6086 1 9 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.461 -0.331 25476 6087 1 9 . 1 1 126 126 ASP C C 126 176.280 176.280 174.838 1.442 25476 6088 1 9 . 1 1 126 126 ASP CA C 126 56.030 56.030 55.013 1.017 25476 6089 1 9 . 1 1 126 126 ASP CB C 126 39.100 39.100 39.869 -0.769 25476 6090 1 9 . 1 1 126 126 ASP H H 126 7.300 7.300 8.479 -1.179 25476 6091 1 9 . 1 1 127 127 GLU N N 127 127.840 127.840 119.730 8.110 25476 6092 1 9 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.504 -0.144 25476 6093 1 9 . 1 1 127 127 GLU CA C 127 55.470 55.470 54.340 1.129 25476 6094 1 9 . 1 1 127 127 GLU H H 127 8.320 8.320 7.587 0.733 25476 6095 1 9 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.613 0.057 25476 6096 1 9 . 1 1 128 128 PRO C C 128 176.010 176.010 176.678 -0.668 25476 6097 1 9 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.556 1.074 25476 6098 1 9 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.314 -0.374 25476 6099 1 9 . 1 1 129 129 VAL N N 129 122.940 122.940 115.939 7.001 25476 6100 1 9 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.959 0.031 25476 6101 1 9 . 1 1 129 129 VAL C C 129 173.650 173.650 176.066 -2.416 25476 6102 1 9 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.544 -1.563 25476 6103 1 9 . 1 1 129 129 VAL CB C 129 32.130 32.130 31.896 0.234 25476 6104 1 9 . 1 1 129 129 VAL H H 129 7.990 7.990 8.031 -0.041 25476 6105 1 9 . 1 1 130 130 LYS N N 130 124.620 124.620 126.936 -2.316 25476 6106 1 9 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.171 0.339 25476 6107 1 9 . 1 1 130 130 LYS C C 130 174.900 174.900 177.125 -2.225 25476 6108 1 9 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.461 -3.311 25476 6109 1 9 . 1 1 130 130 LYS CB C 130 34.510 34.510 30.988 3.522 25476 6110 1 9 . 1 1 130 130 LYS H H 130 8.240 8.240 8.453 -0.213 25476 6111 1 9 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.209 -0.409 25476 6112 1 9 . 1 1 131 131 LEU C C 131 178.400 178.400 177.527 0.873 25476 6113 1 9 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.502 -0.452 25476 6114 1 9 . 1 1 131 131 LEU CB C 131 40.800 40.800 42.125 -1.325 25476 6115 1 9 . 1 1 132 132 SER N N 132 115.550 115.550 113.577 1.973 25476 6116 1 9 . 1 1 132 132 SER HA H 132 4.610 4.610 4.560 0.050 25476 6117 1 9 . 1 1 132 132 SER C C 132 172.970 172.970 174.442 -1.472 25476 6118 1 9 . 1 1 132 132 SER CA C 132 58.620 58.620 57.346 1.274 25476 6119 1 9 . 1 1 132 132 SER CB C 132 63.310 63.310 62.978 0.332 25476 6120 1 9 . 1 1 132 132 SER H H 132 9.070 9.070 7.946 1.124 25476 6121 1 10 . 1 1 2 2 THR N N 2 118.280 118.280 112.636 5.644 25476 6122 1 10 . 1 1 2 2 THR HA H 2 4.550 4.550 4.684 -0.134 25476 6123 1 10 . 1 1 2 2 THR C C 2 174.150 174.150 174.657 -0.507 25476 6124 1 10 . 1 1 2 2 THR CA C 2 61.600 61.600 60.312 1.288 25476 6125 1 10 . 1 1 2 2 THR CB C 2 69.970 69.970 71.659 -1.689 25476 6126 1 10 . 1 1 2 2 THR H H 2 8.470 8.470 7.747 0.723 25476 6127 1 10 . 1 1 3 3 LEU N N 3 125.130 125.130 121.745 3.385 25476 6128 1 10 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.551 0.109 25476 6129 1 10 . 1 1 3 3 LEU C C 3 176.690 176.690 178.099 -1.409 25476 6130 1 10 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.447 0.093 25476 6131 1 10 . 1 1 3 3 LEU CB C 3 40.050 40.050 41.108 -1.058 25476 6132 1 10 . 1 1 3 3 LEU H H 3 8.580 8.580 8.266 0.314 25476 6133 1 10 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.390 -0.030 25476 6134 1 10 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.653 0.817 25476 6135 1 10 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.814 0.076 25476 6136 1 10 . 1 1 5 5 SER HA H 5 4.580 4.580 4.387 0.193 25476 6137 1 10 . 1 1 5 5 SER C C 5 175.510 175.510 175.359 0.151 25476 6138 1 10 . 1 1 5 5 SER CA C 5 59.410 59.410 58.803 0.607 25476 6139 1 10 . 1 1 5 5 SER CB C 5 63.110 63.110 63.025 0.085 25476 6140 1 10 . 1 1 6 6 GLY N N 6 112.010 112.010 107.163 4.847 25476 6141 1 10 . 1 1 6 6 GLY C C 6 173.300 173.300 174.004 -0.704 25476 6142 1 10 . 1 1 6 6 GLY CA C 6 44.530 44.530 44.997 -0.467 25476 6143 1 10 . 1 1 6 6 GLY H H 6 8.620 8.620 7.576 1.044 25476 6144 1 10 . 1 1 7 7 HIS N N 7 119.440 119.440 120.725 -1.285 25476 6145 1 10 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.944 -0.264 25476 6146 1 10 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.659 2.681 25476 6147 1 10 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.271 0.759 25476 6148 1 10 . 1 1 7 7 HIS H H 7 7.170 7.170 7.983 -0.813 25476 6149 1 10 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.589 0.201 25476 6150 1 10 . 1 1 8 8 PRO C C 8 178.140 178.140 177.115 1.025 25476 6151 1 10 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.398 -0.548 25476 6152 1 10 . 1 1 8 8 PRO CB C 8 31.980 31.980 33.158 -1.178 25476 6153 1 10 . 1 1 9 9 LYS N N 9 127.570 127.570 126.676 0.894 25476 6154 1 10 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.224 -0.054 25476 6155 1 10 . 1 1 9 9 LYS C C 9 178.050 178.050 178.376 -0.326 25476 6156 1 10 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.398 0.432 25476 6157 1 10 . 1 1 9 9 LYS H H 9 9.000 9.000 8.779 0.221 25476 6158 1 10 . 1 1 10 10 SER N N 10 113.610 113.610 115.761 -2.151 25476 6159 1 10 . 1 1 10 10 SER HA H 10 4.120 4.120 4.195 -0.075 25476 6160 1 10 . 1 1 10 10 SER C C 10 176.750 176.750 176.808 -0.058 25476 6161 1 10 . 1 1 10 10 SER CA C 10 61.050 61.050 61.571 -0.520 25476 6162 1 10 . 1 1 10 10 SER H H 10 9.170 9.170 8.642 0.528 25476 6163 1 10 . 1 1 11 11 ARG N N 11 122.220 122.220 121.755 0.465 25476 6164 1 10 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.166 -0.016 25476 6165 1 10 . 1 1 11 11 ARG C C 11 177.890 177.890 178.267 -0.377 25476 6166 1 10 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.708 -0.428 25476 6167 1 10 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.511 0.499 25476 6168 1 10 . 1 1 11 11 ARG H H 11 7.100 7.100 8.258 -1.158 25476 6169 1 10 . 1 1 12 12 LEU N N 12 121.360 121.360 121.409 -0.049 25476 6170 1 10 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.757 -0.187 25476 6171 1 10 . 1 1 12 12 LEU C C 12 177.890 177.890 178.850 -0.960 25476 6172 1 10 . 1 1 12 12 LEU CA C 12 56.000 56.000 58.057 -2.057 25476 6173 1 10 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.224 -1.784 25476 6174 1 10 . 1 1 12 12 LEU H H 12 7.220 7.220 7.888 -0.668 25476 6175 1 10 . 1 1 13 13 ILE N N 13 118.920 118.920 119.791 -0.871 25476 6176 1 10 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.910 -0.140 25476 6177 1 10 . 1 1 13 13 ILE C C 13 179.060 179.060 178.901 0.159 25476 6178 1 10 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.775 0.355 25476 6179 1 10 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.775 -0.345 25476 6180 1 10 . 1 1 13 13 ILE H H 13 8.590 8.590 8.524 0.066 25476 6181 1 10 . 1 1 14 14 LYS N N 14 121.950 121.950 119.432 2.518 25476 6182 1 10 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.148 -0.018 25476 6183 1 10 . 1 1 14 14 LYS C C 14 179.810 179.810 179.069 0.741 25476 6184 1 10 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.463 1.597 25476 6185 1 10 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.114 -0.033 25476 6186 1 10 . 1 1 14 14 LYS H H 14 7.730 7.730 7.985 -0.255 25476 6187 1 10 . 1 1 15 15 LYS N N 15 119.750 119.750 118.780 0.970 25476 6188 1 10 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.998 0.122 25476 6189 1 10 . 1 1 15 15 LYS C C 15 179.700 179.700 179.361 0.339 25476 6190 1 10 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.223 -0.493 25476 6191 1 10 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.461 -0.511 25476 6192 1 10 . 1 1 15 15 LYS H H 15 7.800 7.800 7.967 -0.167 25476 6193 1 10 . 1 1 16 16 PHE N N 16 117.660 117.660 118.588 -0.928 25476 6194 1 10 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.170 0.590 25476 6195 1 10 . 1 1 16 16 PHE C C 16 180.960 180.960 178.013 2.947 25476 6196 1 10 . 1 1 16 16 PHE CA C 16 56.640 56.640 59.977 -3.337 25476 6197 1 10 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.004 0.796 25476 6198 1 10 . 1 1 16 16 PHE H H 16 9.130 9.130 8.660 0.470 25476 6199 1 10 . 1 1 17 17 THR N N 17 120.130 120.130 115.844 4.286 25476 6200 1 10 . 1 1 17 17 THR HA H 17 4.370 4.370 3.955 0.415 25476 6201 1 10 . 1 1 17 17 THR C C 17 175.550 175.550 176.056 -0.506 25476 6202 1 10 . 1 1 17 17 THR CA C 17 66.840 66.840 65.886 0.954 25476 6203 1 10 . 1 1 17 17 THR CB C 17 68.920 68.920 68.225 0.695 25476 6204 1 10 . 1 1 17 17 THR H H 17 8.940 8.940 7.621 1.319 25476 6205 1 10 . 1 1 18 18 ALA N N 18 122.170 122.170 123.121 -0.951 25476 6206 1 10 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.203 0.177 25476 6207 1 10 . 1 1 18 18 ALA C C 18 178.110 178.110 177.550 0.560 25476 6208 1 10 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.289 0.101 25476 6209 1 10 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.426 -0.126 25476 6210 1 10 . 1 1 18 18 ALA H H 18 7.310 7.310 7.715 -0.405 25476 6211 1 10 . 1 1 19 19 LEU N N 19 116.080 116.080 116.385 -0.305 25476 6212 1 10 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.300 0.070 25476 6213 1 10 . 1 1 19 19 LEU C C 19 176.620 176.620 176.106 0.514 25476 6214 1 10 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.035 2.595 25476 6215 1 10 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.037 0.383 25476 6216 1 10 . 1 1 19 19 LEU H H 19 7.580 7.580 7.487 0.093 25476 6217 1 10 . 1 1 20 20 GLY N N 20 103.280 103.280 106.444 -3.164 25476 6218 1 10 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.653 -0.593 25476 6219 1 10 . 1 1 20 20 GLY H H 20 7.650 7.650 7.214 0.436 25476 6220 1 10 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.309 0.561 25476 6221 1 10 . 1 1 21 21 PRO C C 21 174.850 174.850 176.202 -1.352 25476 6222 1 10 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.307 0.833 25476 6223 1 10 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.294 -3.394 25476 6224 1 10 . 1 1 22 22 TYR N N 22 120.690 120.690 118.244 2.446 25476 6225 1 10 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.341 0.839 25476 6226 1 10 . 1 1 22 22 TYR C C 22 176.340 176.340 176.796 -0.456 25476 6227 1 10 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.338 -1.558 25476 6228 1 10 . 1 1 22 22 TYR CB C 22 41.500 41.500 37.964 3.536 25476 6229 1 10 . 1 1 22 22 TYR H H 22 7.680 7.680 8.146 -0.466 25476 6230 1 10 . 1 1 23 23 ILE N N 23 119.130 119.130 123.627 -4.497 25476 6231 1 10 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.201 -0.081 25476 6232 1 10 . 1 1 23 23 ILE C C 23 174.210 174.210 176.532 -2.322 25476 6233 1 10 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.819 0.011 25476 6234 1 10 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.220 0.280 25476 6235 1 10 . 1 1 23 23 ILE H H 23 8.860 8.860 8.330 0.530 25476 6236 1 10 . 1 1 24 24 ARG N N 24 126.540 126.540 127.047 -0.507 25476 6237 1 10 . 1 1 24 24 ARG C C 24 177.290 177.290 176.811 0.479 25476 6238 1 10 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.748 -3.658 25476 6239 1 10 . 1 1 24 24 ARG H H 24 8.100 8.100 9.013 -0.913 25476 6240 1 10 . 1 1 25 25 GLU N N 25 126.990 126.990 124.750 2.240 25476 6241 1 10 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.131 -0.031 25476 6242 1 10 . 1 1 25 25 GLU C C 25 176.780 176.780 177.561 -0.781 25476 6243 1 10 . 1 1 25 25 GLU CA C 25 60.860 60.860 58.039 2.821 25476 6244 1 10 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.062 -0.412 25476 6245 1 10 . 1 1 25 25 GLU H H 25 9.400 9.400 8.915 0.485 25476 6246 1 10 . 1 1 26 26 GLY N N 26 109.830 109.830 104.980 4.850 25476 6247 1 10 . 1 1 26 26 GLY C C 26 174.380 174.380 173.347 1.033 25476 6248 1 10 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.772 0.749 25476 6249 1 10 . 1 1 26 26 GLY H H 26 8.070 8.070 7.940 0.130 25476 6250 1 10 . 1 1 27 27 GLN N N 27 117.670 117.670 114.862 2.808 25476 6251 1 10 . 1 1 27 27 GLN HA H 27 4.310 4.310 3.942 0.368 25476 6252 1 10 . 1 1 27 27 GLN C C 27 175.350 175.350 174.392 0.958 25476 6253 1 10 . 1 1 27 27 GLN CA C 27 55.320 55.320 56.706 -1.386 25476 6254 1 10 . 1 1 27 27 GLN CB C 27 29.340 29.340 26.443 2.897 25476 6255 1 10 . 1 1 27 27 GLN H H 27 7.690 7.690 8.515 -0.825 25476 6256 1 10 . 1 1 28 28 CYS N N 28 119.770 119.770 118.631 1.139 25476 6257 1 10 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.622 -0.082 25476 6258 1 10 . 1 1 28 28 CYS C C 28 173.480 173.480 173.700 -0.220 25476 6259 1 10 . 1 1 28 28 CYS CA C 28 58.810 58.810 56.482 2.328 25476 6260 1 10 . 1 1 28 28 CYS CB C 28 27.070 27.070 30.051 -2.981 25476 6261 1 10 . 1 1 28 28 CYS H H 28 7.510 7.510 7.734 -0.224 25476 6262 1 10 . 1 1 29 29 GLU N N 29 124.370 124.370 120.595 3.775 25476 6263 1 10 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.309 0.231 25476 6264 1 10 . 1 1 29 29 GLU C C 29 174.810 174.810 175.464 -0.654 25476 6265 1 10 . 1 1 29 29 GLU CA C 29 55.560 55.560 56.420 -0.860 25476 6266 1 10 . 1 1 29 29 GLU CB C 29 30.030 30.030 30.286 -0.256 25476 6267 1 10 . 1 1 29 29 GLU H H 29 7.840 7.840 8.563 -0.723 25476 6268 1 10 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.734 -0.154 25476 6269 1 10 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.691 0.759 25476 6270 1 10 . 1 1 31 31 ASN CB C 31 39.200 39.200 39.928 -0.728 25476 6271 1 10 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.427 1.083 25476 6272 1 10 . 1 1 32 32 ARG CA C 32 55.050 55.050 55.191 -0.140 25476 6273 1 10 . 1 1 32 32 ARG CB C 32 33.480 33.480 31.695 1.786 25476 6274 1 10 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.611 0.629 25476 6275 1 10 . 1 1 34 34 PHE C C 34 172.210 172.210 173.179 -0.969 25476 6276 1 10 . 1 1 34 34 PHE CA C 34 57.690 57.690 56.852 0.838 25476 6277 1 10 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.901 2.200 25476 6278 1 10 . 1 1 35 35 PHE N N 35 125.800 125.800 125.220 0.580 25476 6279 1 10 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.709 0.461 25476 6280 1 10 . 1 1 35 35 PHE C C 35 173.110 173.110 173.497 -0.387 25476 6281 1 10 . 1 1 35 35 PHE CA C 35 54.860 54.860 54.452 0.408 25476 6282 1 10 . 1 1 35 35 PHE CB C 35 43.250 43.250 41.200 2.050 25476 6283 1 10 . 1 1 35 35 PHE H H 35 8.660 8.660 7.875 0.785 25476 6284 1 10 . 1 1 36 36 ASP N N 36 120.960 120.960 120.879 0.081 25476 6285 1 10 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.205 0.375 25476 6286 1 10 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.535 1.625 25476 6287 1 10 . 1 1 36 36 ASP CB C 36 41.030 41.030 40.144 0.886 25476 6288 1 10 . 1 1 36 36 ASP H H 36 9.370 9.370 8.334 1.036 25476 6289 1 10 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.327 -0.337 25476 6290 1 10 . 1 1 37 37 CYS C C 37 173.460 173.460 173.526 -0.066 25476 6291 1 10 . 1 1 37 37 CYS CA C 37 57.610 57.610 58.006 -0.396 25476 6292 1 10 . 1 1 37 37 CYS CB C 37 27.170 27.170 29.793 -2.623 25476 6293 1 10 . 1 1 38 38 LEU N N 38 131.890 131.890 126.587 5.303 25476 6294 1 10 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.556 -0.346 25476 6295 1 10 . 1 1 38 38 LEU C C 38 175.570 175.570 176.330 -0.760 25476 6296 1 10 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.169 -0.639 25476 6297 1 10 . 1 1 38 38 LEU CB C 38 37.270 37.270 40.932 -3.662 25476 6298 1 10 . 1 1 38 38 LEU H H 38 8.430 8.430 8.510 -0.080 25476 6299 1 10 . 1 1 39 39 ALA N N 39 127.100 127.100 130.215 -3.115 25476 6300 1 10 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.477 -0.137 25476 6301 1 10 . 1 1 39 39 ALA C C 39 178.500 178.500 177.207 1.293 25476 6302 1 10 . 1 1 39 39 ALA CA C 39 55.380 55.380 53.816 1.564 25476 6303 1 10 . 1 1 39 39 ALA CB C 39 21.110 21.110 19.924 1.186 25476 6304 1 10 . 1 1 39 39 ALA H H 39 7.960 7.960 8.673 -0.713 25476 6305 1 10 . 1 1 40 40 VAL N N 40 116.260 116.260 114.971 1.289 25476 6306 1 10 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.651 -0.031 25476 6307 1 10 . 1 1 40 40 VAL C C 40 173.990 173.990 174.719 -0.729 25476 6308 1 10 . 1 1 40 40 VAL CA C 40 60.940 60.940 59.544 1.396 25476 6309 1 10 . 1 1 40 40 VAL CB C 40 36.480 36.480 34.356 2.124 25476 6310 1 10 . 1 1 40 40 VAL H H 40 8.590 8.590 7.875 0.715 25476 6311 1 10 . 1 1 41 41 CYS HA H 41 3.880 3.880 5.358 -1.478 25476 6312 1 10 . 1 1 41 41 CYS C C 41 174.640 174.640 175.092 -0.452 25476 6313 1 10 . 1 1 41 41 CYS CA C 41 59.280 59.280 58.195 1.085 25476 6314 1 10 . 1 1 41 41 CYS CB C 41 26.700 26.700 28.965 -2.265 25476 6315 1 10 . 1 1 42 42 VAL N N 42 131.320 131.320 125.150 6.170 25476 6316 1 10 . 1 1 42 42 VAL HA H 42 3.480 3.480 4.190 -0.710 25476 6317 1 10 . 1 1 42 42 VAL C C 42 176.270 176.270 175.370 0.900 25476 6318 1 10 . 1 1 42 42 VAL CA C 42 65.390 65.390 63.703 1.687 25476 6319 1 10 . 1 1 42 42 VAL CB C 42 31.840 31.840 32.170 -0.330 25476 6320 1 10 . 1 1 42 42 VAL H H 42 8.610 8.610 8.661 -0.051 25476 6321 1 10 . 1 1 43 43 ASN N N 43 116.070 116.070 119.221 -3.151 25476 6322 1 10 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.928 -0.138 25476 6323 1 10 . 1 1 43 43 ASN C C 43 175.160 175.160 173.666 1.494 25476 6324 1 10 . 1 1 43 43 ASN CA C 43 52.690 52.690 52.765 -0.075 25476 6325 1 10 . 1 1 43 43 ASN CB C 43 39.940 39.940 39.732 0.208 25476 6326 1 10 . 1 1 43 43 ASN H H 43 7.280 7.280 7.473 -0.193 25476 6327 1 10 . 1 1 44 44 VAL N N 44 121.350 121.350 122.247 -0.897 25476 6328 1 10 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.190 -0.070 25476 6329 1 10 . 1 1 44 44 VAL C C 44 175.460 175.460 175.690 -0.230 25476 6330 1 10 . 1 1 44 44 VAL CA C 44 61.930 61.930 61.493 0.437 25476 6331 1 10 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.490 -0.861 25476 6332 1 10 . 1 1 44 44 VAL H H 44 8.520 8.520 8.497 0.023 25476 6333 1 10 . 1 1 45 45 LYS N N 45 123.190 123.190 120.888 2.302 25476 6334 1 10 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.268 -0.058 25476 6335 1 10 . 1 1 45 45 LYS CA C 45 59.080 59.080 57.959 1.121 25476 6336 1 10 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.827 -0.327 25476 6337 1 10 . 1 1 45 45 LYS H H 45 8.100 8.100 8.344 -0.244 25476 6338 1 10 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.443 -0.073 25476 6339 1 10 . 1 1 46 46 PRO C C 46 174.380 174.380 175.975 -1.595 25476 6340 1 10 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.272 0.788 25476 6341 1 10 . 1 1 46 46 PRO CB C 46 31.660 31.660 32.011 -0.351 25476 6342 1 10 . 1 1 47 47 ALA N N 47 124.500 124.500 121.058 3.442 25476 6343 1 10 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.270 0.200 25476 6344 1 10 . 1 1 47 47 ALA C C 47 176.130 176.130 178.171 -2.041 25476 6345 1 10 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.709 -0.969 25476 6346 1 10 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.323 -1.023 25476 6347 1 10 . 1 1 47 47 ALA H H 47 8.300 8.300 8.490 -0.190 25476 6348 1 10 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.238 -0.428 25476 6349 1 10 . 1 1 48 48 PRO C C 48 178.270 178.270 178.248 0.022 25476 6350 1 10 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.731 1.419 25476 6351 1 10 . 1 1 48 48 PRO CB C 48 31.990 31.990 31.879 0.111 25476 6352 1 10 . 1 1 49 49 GLU N N 49 116.300 116.300 118.413 -2.113 25476 6353 1 10 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.072 0.218 25476 6354 1 10 . 1 1 49 49 GLU C C 49 176.550 176.550 177.063 -0.513 25476 6355 1 10 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.643 -0.523 25476 6356 1 10 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.491 -0.202 25476 6357 1 10 . 1 1 49 49 GLU H H 49 9.390 9.390 8.833 0.557 25476 6358 1 10 . 1 1 50 50 LYS N N 50 120.030 120.030 117.336 2.694 25476 6359 1 10 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.404 0.056 25476 6360 1 10 . 1 1 50 50 LYS C C 50 175.070 175.070 176.394 -1.324 25476 6361 1 10 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.339 -0.669 25476 6362 1 10 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.722 0.448 25476 6363 1 10 . 1 1 50 50 LYS H H 50 8.350 8.350 7.348 1.002 25476 6364 1 10 . 1 1 51 51 ARG N N 51 119.720 119.720 121.651 -1.931 25476 6365 1 10 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.270 0.030 25476 6366 1 10 . 1 1 51 51 ARG C C 51 174.530 174.530 175.056 -0.526 25476 6367 1 10 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.689 0.001 25476 6368 1 10 . 1 1 51 51 ARG CB C 51 32.000 32.000 31.414 0.586 25476 6369 1 10 . 1 1 51 51 ARG H H 51 7.220 7.220 7.375 -0.155 25476 6370 1 10 . 1 1 52 52 GLU N N 52 119.700 119.700 121.936 -2.236 25476 6371 1 10 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.212 0.478 25476 6372 1 10 . 1 1 52 52 GLU C C 52 175.260 175.260 174.439 0.821 25476 6373 1 10 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.926 -0.196 25476 6374 1 10 . 1 1 52 52 GLU H H 52 8.690 8.690 7.706 0.984 25476 6375 1 10 . 1 1 53 53 PHE N N 53 116.950 116.950 120.194 -3.244 25476 6376 1 10 . 1 1 53 53 PHE HA H 53 5.160 5.160 5.040 0.120 25476 6377 1 10 . 1 1 53 53 PHE C C 53 174.970 174.970 174.831 0.139 25476 6378 1 10 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.631 1.329 25476 6379 1 10 . 1 1 53 53 PHE CB C 53 44.210 44.210 41.980 2.230 25476 6380 1 10 . 1 1 53 53 PHE H H 53 8.590 8.590 7.793 0.797 25476 6381 1 10 . 1 1 54 54 TRP N N 54 123.100 123.100 121.224 1.876 25476 6382 1 10 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.769 1.131 25476 6383 1 10 . 1 1 54 54 TRP C C 54 177.820 177.820 175.861 1.959 25476 6384 1 10 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.402 -1.162 25476 6385 1 10 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.362 1.508 25476 6386 1 10 . 1 1 54 54 TRP H H 54 9.520 9.520 9.124 0.396 25476 6387 1 10 . 1 1 55 55 GLY N N 55 110.840 110.840 109.980 0.860 25476 6388 1 10 . 1 1 55 55 GLY CA C 55 47.240 47.240 44.458 2.782 25476 6389 1 10 . 1 1 55 55 GLY H H 55 9.550 9.550 8.305 1.245 25476 6390 1 10 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.807 0.403 25476 6391 1 10 . 1 1 57 57 TRP CA C 57 57.700 57.700 54.938 2.762 25476 6392 1 10 . 1 1 58 58 MET N N 58 122.630 122.630 124.026 -1.396 25476 6393 1 10 . 1 1 58 58 MET HA H 58 4.370 4.370 5.030 -0.660 25476 6394 1 10 . 1 1 58 58 MET CA C 58 55.230 55.230 54.773 0.457 25476 6395 1 10 . 1 1 58 58 MET CB C 58 35.910 35.910 34.591 1.319 25476 6396 1 10 . 1 1 58 58 MET H H 58 9.680 9.680 8.624 1.056 25476 6397 1 10 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.987 0.443 25476 6398 1 10 . 1 1 59 59 GLU C C 59 175.570 175.570 174.980 0.590 25476 6399 1 10 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.469 -0.209 25476 6400 1 10 . 1 1 60 60 LEU N N 60 126.920 126.920 119.004 7.916 25476 6401 1 10 . 1 1 60 60 LEU HA H 60 6.060 6.060 5.084 0.976 25476 6402 1 10 . 1 1 60 60 LEU C C 60 176.470 176.470 175.243 1.227 25476 6403 1 10 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.393 -0.783 25476 6404 1 10 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.601 1.879 25476 6405 1 10 . 1 1 60 60 LEU H H 60 9.610 9.610 8.389 1.221 25476 6406 1 10 . 1 1 61 61 GLU N N 61 123.560 123.560 120.043 3.517 25476 6407 1 10 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.829 0.351 25476 6408 1 10 . 1 1 61 61 GLU C C 61 174.930 174.930 175.443 -0.513 25476 6409 1 10 . 1 1 61 61 GLU CA C 61 55.050 55.050 55.194 -0.145 25476 6410 1 10 . 1 1 61 61 GLU CB C 61 32.200 32.200 33.526 -1.326 25476 6411 1 10 . 1 1 61 61 GLU H H 61 9.070 9.070 8.059 1.011 25476 6412 1 10 . 1 1 62 62 ALA N N 62 129.830 129.830 129.266 0.564 25476 6413 1 10 . 1 1 62 62 ALA HA H 62 3.120 3.120 2.968 0.152 25476 6414 1 10 . 1 1 62 62 ALA C C 62 175.760 175.760 176.489 -0.729 25476 6415 1 10 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.641 0.040 25476 6416 1 10 . 1 1 62 62 ALA CB C 62 21.330 21.330 19.090 2.240 25476 6417 1 10 . 1 1 62 62 ALA H H 62 9.030 9.030 8.670 0.360 25476 6418 1 10 . 1 1 63 63 GLN N N 63 122.550 122.550 121.731 0.819 25476 6419 1 10 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.376 0.374 25476 6420 1 10 . 1 1 63 63 GLN C C 63 175.470 175.470 176.958 -1.488 25476 6421 1 10 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.413 -0.473 25476 6422 1 10 . 1 1 63 63 GLN CB C 63 29.650 29.650 31.031 -1.381 25476 6423 1 10 . 1 1 63 63 GLN H H 63 8.170 8.170 7.915 0.255 25476 6424 1 10 . 1 1 64 64 GLU N N 64 120.760 120.760 118.794 1.966 25476 6425 1 10 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.045 -0.495 25476 6426 1 10 . 1 1 64 64 GLU C C 64 176.740 176.740 176.697 0.043 25476 6427 1 10 . 1 1 64 64 GLU CA C 64 61.340 61.340 58.869 2.471 25476 6428 1 10 . 1 1 64 64 GLU CB C 64 29.620 29.620 30.150 -0.530 25476 6429 1 10 . 1 1 64 64 GLU H H 64 8.730 8.730 8.500 0.230 25476 6430 1 10 . 1 1 65 65 LYS N N 65 112.820 112.820 113.459 -0.639 25476 6431 1 10 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.405 0.225 25476 6432 1 10 . 1 1 65 65 LYS C C 65 175.960 175.960 174.986 0.974 25476 6433 1 10 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.746 -0.956 25476 6434 1 10 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.514 0.786 25476 6435 1 10 . 1 1 65 65 LYS H H 65 8.750 8.750 7.849 0.901 25476 6436 1 10 . 1 1 66 66 ARG N N 66 115.100 115.100 118.189 -3.089 25476 6437 1 10 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.500 0.800 25476 6438 1 10 . 1 1 66 66 ARG C C 66 172.980 172.980 173.347 -0.367 25476 6439 1 10 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.675 -2.145 25476 6440 1 10 . 1 1 66 66 ARG CB C 66 33.000 33.000 34.541 -1.541 25476 6441 1 10 . 1 1 66 66 ARG H H 66 7.520 7.520 7.596 -0.076 25476 6442 1 10 . 1 1 67 67 PHE N N 67 119.960 119.960 118.011 1.949 25476 6443 1 10 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.973 0.767 25476 6444 1 10 . 1 1 67 67 PHE C C 67 176.040 176.040 174.137 1.903 25476 6445 1 10 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.025 -0.905 25476 6446 1 10 . 1 1 67 67 PHE CB C 67 41.950 41.950 44.112 -2.162 25476 6447 1 10 . 1 1 67 67 PHE H H 67 9.220 9.220 9.245 -0.025 25476 6448 1 10 . 1 1 68 68 THR N N 68 111.030 111.030 115.769 -4.739 25476 6449 1 10 . 1 1 68 68 THR HA H 68 6.310 6.310 4.817 1.493 25476 6450 1 10 . 1 1 68 68 THR C C 68 175.340 175.340 173.465 1.875 25476 6451 1 10 . 1 1 68 68 THR CA C 68 57.990 57.990 59.854 -1.864 25476 6452 1 10 . 1 1 68 68 THR CB C 68 70.260 70.260 71.394 -1.135 25476 6453 1 10 . 1 1 68 68 THR H H 68 9.200 9.200 8.714 0.486 25476 6454 1 10 . 1 1 69 69 TYR N N 69 115.700 115.700 119.115 -3.415 25476 6455 1 10 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.927 1.163 25476 6456 1 10 . 1 1 69 69 TYR C C 69 173.310 173.310 173.121 0.189 25476 6457 1 10 . 1 1 69 69 TYR CA C 69 55.500 55.500 56.595 -1.095 25476 6458 1 10 . 1 1 69 69 TYR CB C 69 44.600 44.600 40.996 3.604 25476 6459 1 10 . 1 1 69 69 TYR H H 69 8.190 8.190 8.710 -0.520 25476 6460 1 10 . 1 1 70 70 ARG N N 70 115.070 115.070 121.462 -6.392 25476 6461 1 10 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.451 1.059 25476 6462 1 10 . 1 1 70 70 ARG C C 70 175.220 175.220 173.798 1.422 25476 6463 1 10 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.951 0.199 25476 6464 1 10 . 1 1 70 70 ARG CB C 70 32.780 32.780 34.544 -1.764 25476 6465 1 10 . 1 1 70 70 ARG H H 70 8.160 8.160 8.259 -0.099 25476 6466 1 10 . 1 1 71 71 TYR N N 71 118.750 118.750 118.339 0.411 25476 6467 1 10 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.130 -0.011 25476 6468 1 10 . 1 1 71 71 TYR H H 71 9.220 9.220 8.101 1.119 25476 6469 1 10 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.690 -0.270 25476 6470 1 10 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.306 0.544 25476 6471 1 10 . 1 1 72 72 GLN CB C 72 30.990 30.990 33.297 -2.307 25476 6472 1 10 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.524 1.306 25476 6473 1 10 . 1 1 73 73 PHE C C 73 177.280 177.280 175.885 1.395 25476 6474 1 10 . 1 1 73 73 PHE CA C 73 53.680 53.680 58.234 -4.554 25476 6475 1 10 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.728 -0.928 25476 6476 1 10 . 1 1 74 74 GLY N N 74 108.520 108.520 110.810 -2.290 25476 6477 1 10 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.447 2.033 25476 6478 1 10 . 1 1 74 74 GLY H H 74 9.350 9.350 7.718 1.632 25476 6479 1 10 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.001 0.369 25476 6480 1 10 . 1 1 75 75 LEU C C 75 174.270 174.270 174.031 0.239 25476 6481 1 10 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.846 -1.056 25476 6482 1 10 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.261 0.599 25476 6483 1 10 . 1 1 76 76 PHE N N 76 135.230 135.230 124.610 10.620 25476 6484 1 10 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.236 -0.896 25476 6485 1 10 . 1 1 76 76 PHE C C 76 174.690 174.690 173.562 1.128 25476 6486 1 10 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.063 0.837 25476 6487 1 10 . 1 1 76 76 PHE H H 76 9.840 9.840 8.247 1.593 25476 6488 1 10 . 1 1 77 77 ASP N N 77 125.580 125.580 126.564 -0.984 25476 6489 1 10 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.654 -0.324 25476 6490 1 10 . 1 1 77 77 ASP C C 77 178.310 178.310 176.466 1.844 25476 6491 1 10 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.093 0.657 25476 6492 1 10 . 1 1 77 77 ASP CB C 77 42.460 42.460 42.823 -0.363 25476 6493 1 10 . 1 1 77 77 ASP H H 77 7.940 7.940 8.027 -0.087 25476 6494 1 10 . 1 1 78 78 LYS N N 78 116.610 116.610 116.815 -0.205 25476 6495 1 10 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.919 0.171 25476 6496 1 10 . 1 1 78 78 LYS C C 78 176.910 176.910 177.109 -0.199 25476 6497 1 10 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.934 -1.354 25476 6498 1 10 . 1 1 78 78 LYS CB C 78 31.030 31.030 31.959 -0.929 25476 6499 1 10 . 1 1 78 78 LYS H H 78 9.030 9.030 8.448 0.582 25476 6500 1 10 . 1 1 79 79 GLU N N 79 120.510 120.510 118.532 1.978 25476 6501 1 10 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.186 0.074 25476 6502 1 10 . 1 1 79 79 GLU C C 79 176.160 176.160 176.801 -0.641 25476 6503 1 10 . 1 1 79 79 GLU CA C 79 55.330 55.330 55.940 -0.610 25476 6504 1 10 . 1 1 79 79 GLU CB C 79 29.420 29.420 28.863 0.557 25476 6505 1 10 . 1 1 79 79 GLU H H 79 7.850 7.850 7.977 -0.127 25476 6506 1 10 . 1 1 80 80 GLY N N 80 109.610 109.610 107.642 1.968 25476 6507 1 10 . 1 1 80 80 GLY C C 80 172.820 172.820 174.071 -1.251 25476 6508 1 10 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.338 0.042 25476 6509 1 10 . 1 1 80 80 GLY H H 80 7.800 7.800 7.688 0.112 25476 6510 1 10 . 1 1 81 81 ASN N N 81 117.680 117.680 119.602 -1.922 25476 6511 1 10 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.747 -0.037 25476 6512 1 10 . 1 1 81 81 ASN C C 81 174.110 174.110 175.346 -1.236 25476 6513 1 10 . 1 1 81 81 ASN CA C 81 51.160 51.160 51.958 -0.798 25476 6514 1 10 . 1 1 81 81 ASN CB C 81 40.160 40.160 39.103 1.057 25476 6515 1 10 . 1 1 81 81 ASN H H 81 7.560 7.560 8.366 -0.806 25476 6516 1 10 . 1 1 82 82 TRP N N 82 122.870 122.870 124.540 -1.670 25476 6517 1 10 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.288 0.862 25476 6518 1 10 . 1 1 82 82 TRP C C 82 177.480 177.480 175.509 1.971 25476 6519 1 10 . 1 1 82 82 TRP CA C 82 57.260 57.260 55.903 1.357 25476 6520 1 10 . 1 1 82 82 TRP H H 82 8.480 8.480 8.207 0.273 25476 6521 1 10 . 1 1 83 83 THR N N 83 118.050 118.050 121.688 -3.638 25476 6522 1 10 . 1 1 83 83 THR HA H 83 4.820 4.820 4.566 0.254 25476 6523 1 10 . 1 1 83 83 THR C C 83 173.630 173.630 173.739 -0.109 25476 6524 1 10 . 1 1 83 83 THR CA C 83 60.470 60.470 61.753 -1.283 25476 6525 1 10 . 1 1 83 83 THR CB C 83 72.050 72.050 71.637 0.413 25476 6526 1 10 . 1 1 83 83 THR H H 83 9.280 9.280 8.317 0.963 25476 6527 1 10 . 1 1 84 84 VAL N N 84 125.990 125.990 123.103 2.887 25476 6528 1 10 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.354 0.176 25476 6529 1 10 . 1 1 84 84 VAL C C 84 175.440 175.440 175.067 0.373 25476 6530 1 10 . 1 1 84 84 VAL CA C 84 64.280 64.280 62.606 1.674 25476 6531 1 10 . 1 1 84 84 VAL CB C 84 31.630 31.630 32.208 -0.578 25476 6532 1 10 . 1 1 84 84 VAL H H 84 9.100 9.100 8.679 0.421 25476 6533 1 10 . 1 1 85 85 VAL N N 85 124.640 124.640 126.197 -1.557 25476 6534 1 10 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.591 0.379 25476 6535 1 10 . 1 1 85 85 VAL CA C 85 58.050 58.050 59.252 -1.202 25476 6536 1 10 . 1 1 85 85 VAL CB C 85 35.190 35.190 34.995 0.195 25476 6537 1 10 . 1 1 85 85 VAL H H 85 7.430 7.430 8.074 -0.644 25476 6538 1 10 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.581 -0.101 25476 6539 1 10 . 1 1 86 86 PRO C C 86 175.970 175.970 175.882 0.088 25476 6540 1 10 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.651 0.269 25476 6541 1 10 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.184 -0.254 25476 6542 1 10 . 1 1 87 87 ILE N N 87 123.980 123.980 123.222 0.758 25476 6543 1 10 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.680 0.240 25476 6544 1 10 . 1 1 87 87 ILE C C 87 175.510 175.510 175.325 0.185 25476 6545 1 10 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.701 0.419 25476 6546 1 10 . 1 1 87 87 ILE CB C 87 37.550 37.550 36.761 0.788 25476 6547 1 10 . 1 1 87 87 ILE H H 87 8.500 8.500 8.040 0.460 25476 6548 1 10 . 1 1 88 88 ASN N N 88 119.050 119.050 125.479 -6.429 25476 6549 1 10 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.770 -0.410 25476 6550 1 10 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.342 -0.132 25476 6551 1 10 . 1 1 88 88 ASN CB C 88 37.740 37.740 40.211 -2.471 25476 6552 1 10 . 1 1 88 88 ASN H H 88 8.390 8.390 8.365 0.025 25476 6553 1 10 . 1 1 90 90 THR HA H 90 3.800 3.800 3.879 -0.079 25476 6554 1 10 . 1 1 90 90 THR C C 90 175.860 175.860 175.976 -0.116 25476 6555 1 10 . 1 1 90 90 THR CA C 90 66.300 66.300 65.802 0.498 25476 6556 1 10 . 1 1 90 90 THR CB C 90 68.380 68.380 68.840 -0.460 25476 6557 1 10 . 1 1 91 91 GLU N N 91 120.430 120.430 119.349 1.081 25476 6558 1 10 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.051 0.059 25476 6559 1 10 . 1 1 91 91 GLU C C 91 179.320 179.320 178.698 0.622 25476 6560 1 10 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.012 0.448 25476 6561 1 10 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.905 0.135 25476 6562 1 10 . 1 1 91 91 GLU H H 91 9.440 9.440 8.582 0.858 25476 6563 1 10 . 1 1 92 92 VAL N N 92 119.810 119.810 119.634 0.176 25476 6564 1 10 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.865 -0.245 25476 6565 1 10 . 1 1 92 92 VAL C C 92 177.270 177.270 177.881 -0.611 25476 6566 1 10 . 1 1 92 92 VAL CA C 92 65.950 65.950 64.932 1.018 25476 6567 1 10 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.525 -0.045 25476 6568 1 10 . 1 1 92 92 VAL H H 92 7.010 7.010 7.819 -0.809 25476 6569 1 10 . 1 1 93 93 VAL N N 93 120.570 120.570 120.689 -0.119 25476 6570 1 10 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.597 -0.307 25476 6571 1 10 . 1 1 93 93 VAL C C 93 177.970 177.970 177.519 0.451 25476 6572 1 10 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.885 0.465 25476 6573 1 10 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.809 -0.349 25476 6574 1 10 . 1 1 93 93 VAL H H 93 7.720 7.720 7.433 0.287 25476 6575 1 10 . 1 1 94 94 GLU N N 94 118.100 118.100 118.735 -0.635 25476 6576 1 10 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.329 -0.219 25476 6577 1 10 . 1 1 94 94 GLU C C 94 179.420 179.420 179.141 0.279 25476 6578 1 10 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.350 0.300 25476 6579 1 10 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.372 0.018 25476 6580 1 10 . 1 1 94 94 GLU H H 94 8.320 8.320 8.086 0.234 25476 6581 1 10 . 1 1 95 95 ARG N N 95 120.330 120.330 120.415 -0.085 25476 6582 1 10 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.253 0.117 25476 6583 1 10 . 1 1 95 95 ARG C C 95 179.510 179.510 178.754 0.756 25476 6584 1 10 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.271 -0.731 25476 6585 1 10 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.603 0.017 25476 6586 1 10 . 1 1 95 95 ARG H H 95 7.350 7.350 7.924 -0.574 25476 6587 1 10 . 1 1 96 96 LEU N N 96 124.600 124.600 120.334 4.266 25476 6588 1 10 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.386 -0.556 25476 6589 1 10 . 1 1 96 96 LEU C C 96 177.600 177.600 179.213 -1.613 25476 6590 1 10 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.878 1.412 25476 6591 1 10 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.433 -1.833 25476 6592 1 10 . 1 1 96 96 LEU H H 96 8.600 8.600 7.849 0.751 25476 6593 1 10 . 1 1 97 97 GLU N N 97 118.190 118.190 119.598 -1.408 25476 6594 1 10 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.025 -0.285 25476 6595 1 10 . 1 1 97 97 GLU C C 97 177.630 177.630 178.990 -1.360 25476 6596 1 10 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.285 1.155 25476 6597 1 10 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.169 -0.950 25476 6598 1 10 . 1 1 97 97 GLU H H 97 8.540 8.540 8.548 -0.008 25476 6599 1 10 . 1 1 98 98 TYR N N 98 119.160 119.160 121.852 -2.692 25476 6600 1 10 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.262 -0.192 25476 6601 1 10 . 1 1 98 98 TYR C C 98 179.010 179.010 177.025 1.985 25476 6602 1 10 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.484 0.636 25476 6603 1 10 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.941 -0.151 25476 6604 1 10 . 1 1 98 98 TYR H H 98 8.380 8.380 7.784 0.596 25476 6605 1 10 . 1 1 99 99 THR N N 99 109.220 109.220 115.845 -6.625 25476 6606 1 10 . 1 1 99 99 THR HA H 99 4.310 4.310 4.010 0.300 25476 6607 1 10 . 1 1 99 99 THR C C 99 178.320 178.320 176.514 1.806 25476 6608 1 10 . 1 1 99 99 THR CA C 99 64.890 64.890 66.853 -1.963 25476 6609 1 10 . 1 1 99 99 THR CB C 99 69.810 69.810 68.913 0.897 25476 6610 1 10 . 1 1 99 99 THR H H 99 8.480 8.480 8.019 0.461 25476 6611 1 10 . 1 1 100 100 LEU N N 100 128.250 128.250 120.424 7.826 25476 6612 1 10 . 1 1 100 100 LEU HA H 100 3.540 3.540 3.496 0.044 25476 6613 1 10 . 1 1 100 100 LEU C C 100 177.870 177.870 178.156 -0.286 25476 6614 1 10 . 1 1 100 100 LEU CA C 100 58.200 58.200 57.827 0.373 25476 6615 1 10 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.643 0.817 25476 6616 1 10 . 1 1 100 100 LEU H H 100 8.200 8.200 7.583 0.617 25476 6617 1 10 . 1 1 101 101 ARG N N 101 118.550 118.550 119.579 -1.029 25476 6618 1 10 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.903 -0.293 25476 6619 1 10 . 1 1 101 101 ARG C C 101 178.930 178.930 178.516 0.414 25476 6620 1 10 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.444 1.016 25476 6621 1 10 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.933 -0.643 25476 6622 1 10 . 1 1 101 101 ARG H H 101 8.440 8.440 7.284 1.156 25476 6623 1 10 . 1 1 102 102 GLU N N 102 119.760 119.760 119.329 0.431 25476 6624 1 10 . 1 1 102 102 GLU HA H 102 3.920 3.920 3.964 -0.044 25476 6625 1 10 . 1 1 102 102 GLU C C 102 178.360 178.360 178.847 -0.487 25476 6626 1 10 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.676 0.274 25476 6627 1 10 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.088 0.932 25476 6628 1 10 . 1 1 102 102 GLU H H 102 7.970 7.970 7.708 0.262 25476 6629 1 10 . 1 1 103 103 PHE N N 103 119.570 119.570 119.670 -0.100 25476 6630 1 10 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.164 -0.244 25476 6631 1 10 . 1 1 103 103 PHE C C 103 175.350 175.350 176.924 -1.574 25476 6632 1 10 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.540 -0.740 25476 6633 1 10 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.168 0.372 25476 6634 1 10 . 1 1 103 103 PHE H H 103 7.630 7.630 8.417 -0.787 25476 6635 1 10 . 1 1 104 104 HIS N N 104 119.160 119.160 119.796 -0.636 25476 6636 1 10 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.160 -1.130 25476 6637 1 10 . 1 1 104 104 HIS C C 104 175.460 175.460 177.039 -1.579 25476 6638 1 10 . 1 1 104 104 HIS CA C 104 60.710 60.710 58.999 1.710 25476 6639 1 10 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.509 2.221 25476 6640 1 10 . 1 1 104 104 HIS H H 104 8.800 8.800 7.562 1.238 25476 6641 1 10 . 1 1 105 105 GLU N N 105 117.900 117.900 118.816 -0.916 25476 6642 1 10 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.405 0.035 25476 6643 1 10 . 1 1 105 105 GLU C C 105 177.990 177.990 178.605 -0.615 25476 6644 1 10 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.249 0.361 25476 6645 1 10 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.466 -0.166 25476 6646 1 10 . 1 1 105 105 GLU H H 105 7.890 7.890 7.610 0.280 25476 6647 1 10 . 1 1 106 106 LYS N N 106 117.260 117.260 118.419 -1.159 25476 6648 1 10 . 1 1 106 106 LYS HA H 106 3.970 3.970 3.904 0.066 25476 6649 1 10 . 1 1 106 106 LYS C C 106 179.570 179.570 178.741 0.829 25476 6650 1 10 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.764 -0.054 25476 6651 1 10 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.094 0.686 25476 6652 1 10 . 1 1 106 106 LYS H H 106 6.870 6.870 7.562 -0.692 25476 6653 1 10 . 1 1 107 107 LEU N N 107 123.180 123.180 121.167 2.013 25476 6654 1 10 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.863 -0.413 25476 6655 1 10 . 1 1 107 107 LEU C C 107 177.170 177.170 178.386 -1.216 25476 6656 1 10 . 1 1 107 107 LEU CA C 107 57.340 57.340 57.375 -0.035 25476 6657 1 10 . 1 1 107 107 LEU CB C 107 41.240 41.240 41.775 -0.535 25476 6658 1 10 . 1 1 107 107 LEU H H 107 8.020 8.020 7.384 0.636 25476 6659 1 10 . 1 1 108 108 ARG N N 108 120.070 120.070 119.341 0.729 25476 6660 1 10 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.749 -0.339 25476 6661 1 10 . 1 1 108 108 ARG C C 108 178.460 178.460 177.971 0.489 25476 6662 1 10 . 1 1 108 108 ARG CA C 108 59.640 59.640 60.444 -0.804 25476 6663 1 10 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.515 -0.305 25476 6664 1 10 . 1 1 108 108 ARG H H 108 8.680 8.680 7.682 0.998 25476 6665 1 10 . 1 1 109 109 ASP N N 109 119.480 119.480 117.971 1.509 25476 6666 1 10 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.370 -0.060 25476 6667 1 10 . 1 1 109 109 ASP C C 109 178.900 178.900 178.416 0.484 25476 6668 1 10 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.164 -0.024 25476 6669 1 10 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.340 -0.470 25476 6670 1 10 . 1 1 109 109 ASP H H 109 7.890 7.890 7.948 -0.058 25476 6671 1 10 . 1 1 110 110 LEU N N 110 122.740 122.740 120.827 1.913 25476 6672 1 10 . 1 1 110 110 LEU HA H 110 4.100 4.100 4.050 0.050 25476 6673 1 10 . 1 1 110 110 LEU C C 110 179.830 179.830 178.156 1.674 25476 6674 1 10 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.650 0.030 25476 6675 1 10 . 1 1 110 110 LEU CB C 110 41.290 41.290 42.017 -0.727 25476 6676 1 10 . 1 1 110 110 LEU H H 110 7.650 7.650 7.134 0.516 25476 6677 1 10 . 1 1 111 111 LEU N N 111 122.170 122.170 119.301 2.869 25476 6678 1 10 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.728 0.102 25476 6679 1 10 . 1 1 111 111 LEU C C 111 179.990 179.990 179.308 0.682 25476 6680 1 10 . 1 1 111 111 LEU CA C 111 58.610 58.610 57.988 0.622 25476 6681 1 10 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.702 -2.322 25476 6682 1 10 . 1 1 111 111 LEU H H 111 8.320 8.320 8.116 0.204 25476 6683 1 10 . 1 1 112 112 ILE N N 112 122.490 122.490 119.255 3.235 25476 6684 1 10 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.734 0.236 25476 6685 1 10 . 1 1 112 112 ILE C C 112 180.930 180.930 179.227 1.703 25476 6686 1 10 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.207 -0.547 25476 6687 1 10 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.795 -0.475 25476 6688 1 10 . 1 1 112 112 ILE H H 112 8.790 8.790 8.570 0.220 25476 6689 1 10 . 1 1 113 113 SER N N 113 119.860 119.860 114.449 5.411 25476 6690 1 10 . 1 1 113 113 SER HA H 113 4.400 4.400 4.262 0.138 25476 6691 1 10 . 1 1 113 113 SER C C 113 174.520 174.520 175.347 -0.827 25476 6692 1 10 . 1 1 113 113 SER CA C 113 61.390 61.390 60.344 1.046 25476 6693 1 10 . 1 1 113 113 SER CB C 113 62.630 62.630 62.958 -0.328 25476 6694 1 10 . 1 1 113 113 SER H H 113 7.720 7.720 7.720 0.000 25476 6695 1 10 . 1 1 114 114 MET N N 114 121.890 121.890 118.261 3.629 25476 6696 1 10 . 1 1 114 114 MET HA H 114 4.530 4.530 4.522 0.008 25476 6697 1 10 . 1 1 114 114 MET C C 114 173.850 173.850 175.072 -1.222 25476 6698 1 10 . 1 1 114 114 MET CA C 114 55.330 55.330 55.581 -0.251 25476 6699 1 10 . 1 1 114 114 MET CB C 114 34.040 34.040 33.804 0.236 25476 6700 1 10 . 1 1 114 114 MET H H 114 7.480 7.480 7.347 0.133 25476 6701 1 10 . 1 1 115 115 GLU N N 115 114.160 114.160 116.453 -2.293 25476 6702 1 10 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.961 -0.061 25476 6703 1 10 . 1 1 115 115 GLU C C 115 174.880 174.880 175.440 -0.560 25476 6704 1 10 . 1 1 115 115 GLU CA C 115 57.270 57.270 57.097 0.173 25476 6705 1 10 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.115 -0.605 25476 6706 1 10 . 1 1 115 115 GLU H H 115 8.110 8.110 7.837 0.273 25476 6707 1 10 . 1 1 116 116 LEU N N 116 119.870 119.870 118.687 1.183 25476 6708 1 10 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.682 -0.022 25476 6709 1 10 . 1 1 116 116 LEU C C 116 174.910 174.910 175.512 -0.602 25476 6710 1 10 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.324 -0.224 25476 6711 1 10 . 1 1 116 116 LEU CB C 116 45.570 45.570 45.194 0.376 25476 6712 1 10 . 1 1 116 116 LEU H H 116 7.970 7.970 7.652 0.318 25476 6713 1 10 . 1 1 117 117 ALA N N 117 123.730 123.730 123.018 0.712 25476 6714 1 10 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.839 -0.389 25476 6715 1 10 . 1 1 117 117 ALA C C 117 174.870 174.870 175.594 -0.724 25476 6716 1 10 . 1 1 117 117 ALA CA C 117 50.870 50.870 50.291 0.579 25476 6717 1 10 . 1 1 117 117 ALA CB C 117 20.700 20.700 21.400 -0.700 25476 6718 1 10 . 1 1 117 117 ALA H H 117 7.530 7.530 8.374 -0.844 25476 6719 1 10 . 1 1 118 118 LEU N N 118 121.610 121.610 121.252 0.358 25476 6720 1 10 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.566 -0.086 25476 6721 1 10 . 1 1 118 118 LEU C C 118 175.560 175.560 176.875 -1.315 25476 6722 1 10 . 1 1 118 118 LEU CA C 118 53.840 53.840 53.781 0.059 25476 6723 1 10 . 1 1 118 118 LEU CB C 118 43.490 43.490 45.195 -1.705 25476 6724 1 10 . 1 1 118 118 LEU H H 118 8.250 8.250 8.538 -0.288 25476 6725 1 10 . 1 1 119 119 GLU N N 119 127.300 127.300 121.929 5.371 25476 6726 1 10 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.924 0.196 25476 6727 1 10 . 1 1 119 119 GLU C C 119 171.510 171.510 174.503 -2.993 25476 6728 1 10 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.324 -0.354 25476 6729 1 10 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.481 0.389 25476 6730 1 10 . 1 1 119 119 GLU H H 119 8.730 8.730 8.718 0.012 25476 6731 1 10 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.625 -0.055 25476 6732 1 10 . 1 1 120 120 PRO C C 120 176.420 176.420 176.431 -0.011 25476 6733 1 10 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.789 -1.029 25476 6734 1 10 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.459 -0.069 25476 6735 1 10 . 1 1 121 121 SER N N 121 117.040 117.040 114.584 2.456 25476 6736 1 10 . 1 1 121 121 SER HA H 121 4.060 4.060 4.525 -0.465 25476 6737 1 10 . 1 1 121 121 SER C C 121 175.150 175.150 175.278 -0.128 25476 6738 1 10 . 1 1 121 121 SER CA C 121 59.230 59.230 57.501 1.729 25476 6739 1 10 . 1 1 121 121 SER CB C 121 62.970 62.970 65.505 -2.535 25476 6740 1 10 . 1 1 121 121 SER H H 121 8.690 8.690 8.237 0.453 25476 6741 1 10 . 1 1 122 122 ASP N N 122 124.140 124.140 121.927 2.213 25476 6742 1 10 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.606 -0.236 25476 6743 1 10 . 1 1 122 122 ASP C C 122 176.240 176.240 175.750 0.490 25476 6744 1 10 . 1 1 122 122 ASP CA C 122 57.100 57.100 55.734 1.366 25476 6745 1 10 . 1 1 122 122 ASP CB C 122 40.190 40.190 41.250 -1.060 25476 6746 1 10 . 1 1 122 122 ASP H H 122 8.830 8.830 8.720 0.110 25476 6747 1 10 . 1 1 123 123 ASP N N 123 115.720 115.720 117.409 -1.689 25476 6748 1 10 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.575 0.045 25476 6749 1 10 . 1 1 123 123 ASP C C 123 174.850 174.850 175.336 -0.486 25476 6750 1 10 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.590 -0.800 25476 6751 1 10 . 1 1 123 123 ASP CB C 123 40.270 40.270 39.746 0.524 25476 6752 1 10 . 1 1 123 123 ASP H H 123 8.210 8.210 8.221 -0.011 25476 6753 1 10 . 1 1 124 124 PHE N N 124 122.440 122.440 120.975 1.465 25476 6754 1 10 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.656 0.374 25476 6755 1 10 . 1 1 124 124 PHE C C 124 174.040 174.040 174.379 -0.339 25476 6756 1 10 . 1 1 124 124 PHE CA C 124 56.040 56.040 56.871 -0.831 25476 6757 1 10 . 1 1 124 124 PHE CB C 124 42.170 42.170 39.927 2.243 25476 6758 1 10 . 1 1 124 124 PHE H H 124 8.060 8.060 7.450 0.610 25476 6759 1 10 . 1 1 125 125 ASN N N 125 126.850 126.850 125.044 1.806 25476 6760 1 10 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.475 0.265 25476 6761 1 10 . 1 1 125 125 ASN C C 125 175.070 175.070 174.301 0.769 25476 6762 1 10 . 1 1 125 125 ASN CA C 125 53.430 53.430 53.799 -0.369 25476 6763 1 10 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.387 0.343 25476 6764 1 10 . 1 1 125 125 ASN H H 125 7.700 7.700 8.754 -1.054 25476 6765 1 10 . 1 1 126 126 ASP N N 126 120.330 120.330 116.774 3.556 25476 6766 1 10 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.282 -0.152 25476 6767 1 10 . 1 1 126 126 ASP C C 126 176.280 176.280 174.361 1.919 25476 6768 1 10 . 1 1 126 126 ASP CA C 126 56.030 56.030 53.596 2.434 25476 6769 1 10 . 1 1 126 126 ASP CB C 126 39.100 39.100 41.719 -2.619 25476 6770 1 10 . 1 1 126 126 ASP H H 126 7.300 7.300 7.451 -0.151 25476 6771 1 10 . 1 1 127 127 GLU N N 127 127.840 127.840 120.366 7.474 25476 6772 1 10 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.238 0.122 25476 6773 1 10 . 1 1 127 127 GLU CA C 127 55.470 55.470 56.071 -0.601 25476 6774 1 10 . 1 1 127 127 GLU H H 127 8.320 8.320 8.347 -0.027 25476 6775 1 10 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.641 0.029 25476 6776 1 10 . 1 1 128 128 PRO C C 128 176.010 176.010 177.023 -1.013 25476 6777 1 10 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.911 0.719 25476 6778 1 10 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.557 -0.617 25476 6779 1 10 . 1 1 129 129 VAL N N 129 122.940 122.940 117.018 5.922 25476 6780 1 10 . 1 1 129 129 VAL HA H 129 3.990 3.990 4.080 -0.090 25476 6781 1 10 . 1 1 129 129 VAL C C 129 173.650 173.650 176.043 -2.393 25476 6782 1 10 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.513 -1.533 25476 6783 1 10 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.059 0.071 25476 6784 1 10 . 1 1 129 129 VAL H H 129 7.990 7.990 8.505 -0.515 25476 6785 1 10 . 1 1 130 130 LYS N N 130 124.620 124.620 126.855 -2.235 25476 6786 1 10 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.253 0.257 25476 6787 1 10 . 1 1 130 130 LYS C C 130 174.900 174.900 176.394 -1.494 25476 6788 1 10 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.176 -3.026 25476 6789 1 10 . 1 1 130 130 LYS CB C 130 34.510 34.510 32.081 2.429 25476 6790 1 10 . 1 1 130 130 LYS H H 130 8.240 8.240 8.362 -0.122 25476 6791 1 10 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.497 -0.697 25476 6792 1 10 . 1 1 131 131 LEU C C 131 178.400 178.400 178.262 0.138 25476 6793 1 10 . 1 1 131 131 LEU CA C 131 56.050 56.050 57.143 -1.093 25476 6794 1 10 . 1 1 131 131 LEU CB C 131 40.800 40.800 42.701 -1.901 25476 6795 1 10 . 1 1 132 132 SER N N 132 115.550 115.550 114.485 1.065 25476 6796 1 10 . 1 1 132 132 SER HA H 132 4.610 4.610 4.539 0.071 25476 6797 1 10 . 1 1 132 132 SER C C 132 172.970 172.970 174.451 -1.481 25476 6798 1 10 . 1 1 132 132 SER CA C 132 58.620 58.620 57.689 0.931 25476 6799 1 10 . 1 1 132 132 SER CB C 132 63.310 63.310 62.137 1.173 25476 6800 1 10 . 1 1 132 132 SER H H 132 9.070 9.070 8.257 0.813 25476 6801 1 11 . 1 1 2 2 THR N N 2 118.280 118.280 114.283 3.997 25476 6802 1 11 . 1 1 2 2 THR HA H 2 4.550 4.550 4.638 -0.088 25476 6803 1 11 . 1 1 2 2 THR C C 2 174.150 174.150 174.382 -0.232 25476 6804 1 11 . 1 1 2 2 THR CA C 2 61.600 61.600 60.848 0.752 25476 6805 1 11 . 1 1 2 2 THR CB C 2 69.970 69.970 70.070 -0.100 25476 6806 1 11 . 1 1 2 2 THR H H 2 8.470 8.470 8.161 0.309 25476 6807 1 11 . 1 1 3 3 LEU N N 3 125.130 125.130 121.512 3.618 25476 6808 1 11 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.477 0.183 25476 6809 1 11 . 1 1 3 3 LEU C C 3 176.690 176.690 178.007 -1.317 25476 6810 1 11 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.721 -0.181 25476 6811 1 11 . 1 1 3 3 LEU CB C 3 40.050 40.050 40.946 -0.896 25476 6812 1 11 . 1 1 3 3 LEU H H 3 8.580 8.580 8.149 0.431 25476 6813 1 11 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.367 -0.007 25476 6814 1 11 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.382 1.087 25476 6815 1 11 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.705 0.185 25476 6816 1 11 . 1 1 5 5 SER HA H 5 4.580 4.580 4.397 0.183 25476 6817 1 11 . 1 1 5 5 SER C C 5 175.510 175.510 175.695 -0.185 25476 6818 1 11 . 1 1 5 5 SER CA C 5 59.410 59.410 58.670 0.740 25476 6819 1 11 . 1 1 5 5 SER CB C 5 63.110 63.110 63.367 -0.257 25476 6820 1 11 . 1 1 6 6 GLY N N 6 112.010 112.010 109.607 2.403 25476 6821 1 11 . 1 1 6 6 GLY C C 6 173.300 173.300 174.204 -0.904 25476 6822 1 11 . 1 1 6 6 GLY CA C 6 44.530 44.530 44.950 -0.420 25476 6823 1 11 . 1 1 6 6 GLY H H 6 8.620 8.620 7.746 0.874 25476 6824 1 11 . 1 1 7 7 HIS N N 7 119.440 119.440 121.543 -2.103 25476 6825 1 11 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.917 -0.237 25476 6826 1 11 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.768 2.572 25476 6827 1 11 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.431 0.599 25476 6828 1 11 . 1 1 7 7 HIS H H 7 7.170 7.170 7.979 -0.809 25476 6829 1 11 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.503 0.287 25476 6830 1 11 . 1 1 8 8 PRO C C 8 178.140 178.140 177.552 0.588 25476 6831 1 11 . 1 1 8 8 PRO CA C 8 62.850 62.850 62.988 -0.138 25476 6832 1 11 . 1 1 8 8 PRO CB C 8 31.980 31.980 33.190 -1.210 25476 6833 1 11 . 1 1 9 9 LYS N N 9 127.570 127.570 125.168 2.402 25476 6834 1 11 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.242 -0.072 25476 6835 1 11 . 1 1 9 9 LYS C C 9 178.050 178.050 179.050 -1.000 25476 6836 1 11 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.265 0.565 25476 6837 1 11 . 1 1 9 9 LYS H H 9 9.000 9.000 8.885 0.115 25476 6838 1 11 . 1 1 10 10 SER N N 10 113.610 113.610 114.862 -1.252 25476 6839 1 11 . 1 1 10 10 SER HA H 10 4.120 4.120 4.276 -0.156 25476 6840 1 11 . 1 1 10 10 SER C C 10 176.750 176.750 176.809 -0.059 25476 6841 1 11 . 1 1 10 10 SER CA C 10 61.050 61.050 61.490 -0.440 25476 6842 1 11 . 1 1 10 10 SER H H 10 9.170 9.170 8.658 0.512 25476 6843 1 11 . 1 1 11 11 ARG N N 11 122.220 122.220 121.367 0.853 25476 6844 1 11 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.177 -0.027 25476 6845 1 11 . 1 1 11 11 ARG C C 11 177.890 177.890 178.247 -0.357 25476 6846 1 11 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.354 -0.074 25476 6847 1 11 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.863 0.147 25476 6848 1 11 . 1 1 11 11 ARG H H 11 7.100 7.100 8.014 -0.914 25476 6849 1 11 . 1 1 12 12 LEU N N 12 121.360 121.360 121.302 0.058 25476 6850 1 11 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.586 -0.016 25476 6851 1 11 . 1 1 12 12 LEU C C 12 177.890 177.890 178.398 -0.508 25476 6852 1 11 . 1 1 12 12 LEU CA C 12 56.000 56.000 57.867 -1.867 25476 6853 1 11 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.093 -1.653 25476 6854 1 11 . 1 1 12 12 LEU H H 12 7.220 7.220 7.860 -0.640 25476 6855 1 11 . 1 1 13 13 ILE N N 13 118.920 118.920 118.414 0.506 25476 6856 1 11 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.898 -0.128 25476 6857 1 11 . 1 1 13 13 ILE C C 13 179.060 179.060 178.667 0.393 25476 6858 1 11 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.417 0.713 25476 6859 1 11 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.693 -0.263 25476 6860 1 11 . 1 1 13 13 ILE H H 13 8.590 8.590 8.642 -0.052 25476 6861 1 11 . 1 1 14 14 LYS N N 14 121.950 121.950 119.503 2.447 25476 6862 1 11 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.011 0.119 25476 6863 1 11 . 1 1 14 14 LYS C C 14 179.810 179.810 178.857 0.953 25476 6864 1 11 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.950 1.110 25476 6865 1 11 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.306 -0.226 25476 6866 1 11 . 1 1 14 14 LYS H H 14 7.730 7.730 7.428 0.302 25476 6867 1 11 . 1 1 15 15 LYS N N 15 119.750 119.750 118.556 1.194 25476 6868 1 11 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.995 0.125 25476 6869 1 11 . 1 1 15 15 LYS C C 15 179.700 179.700 179.462 0.238 25476 6870 1 11 . 1 1 15 15 LYS CA C 15 58.730 58.730 58.888 -0.158 25476 6871 1 11 . 1 1 15 15 LYS CB C 15 31.950 31.950 31.897 0.053 25476 6872 1 11 . 1 1 15 15 LYS H H 15 7.800 7.800 7.790 0.010 25476 6873 1 11 . 1 1 16 16 PHE N N 16 117.660 117.660 118.826 -1.166 25476 6874 1 11 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.381 0.379 25476 6875 1 11 . 1 1 16 16 PHE C C 16 180.960 180.960 177.950 3.010 25476 6876 1 11 . 1 1 16 16 PHE CA C 16 56.640 56.640 58.895 -2.255 25476 6877 1 11 . 1 1 16 16 PHE CB C 16 38.800 38.800 37.858 0.942 25476 6878 1 11 . 1 1 16 16 PHE H H 16 9.130 9.130 8.585 0.545 25476 6879 1 11 . 1 1 17 17 THR N N 17 120.130 120.130 115.520 4.610 25476 6880 1 11 . 1 1 17 17 THR HA H 17 4.370 4.370 4.191 0.179 25476 6881 1 11 . 1 1 17 17 THR C C 17 175.550 175.550 175.940 -0.390 25476 6882 1 11 . 1 1 17 17 THR CA C 17 66.840 66.840 65.500 1.340 25476 6883 1 11 . 1 1 17 17 THR CB C 17 68.920 68.920 68.409 0.511 25476 6884 1 11 . 1 1 17 17 THR H H 17 8.940 8.940 7.367 1.573 25476 6885 1 11 . 1 1 18 18 ALA N N 18 122.170 122.170 122.958 -0.788 25476 6886 1 11 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.284 0.096 25476 6887 1 11 . 1 1 18 18 ALA C C 18 178.110 178.110 177.568 0.542 25476 6888 1 11 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.752 -0.362 25476 6889 1 11 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.270 0.030 25476 6890 1 11 . 1 1 18 18 ALA H H 18 7.310 7.310 7.791 -0.481 25476 6891 1 11 . 1 1 19 19 LEU N N 19 116.080 116.080 116.689 -0.609 25476 6892 1 11 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.467 -0.097 25476 6893 1 11 . 1 1 19 19 LEU C C 19 176.620 176.620 176.260 0.360 25476 6894 1 11 . 1 1 19 19 LEU CA C 19 56.630 56.630 53.937 2.693 25476 6895 1 11 . 1 1 19 19 LEU CB C 19 42.420 42.420 41.999 0.421 25476 6896 1 11 . 1 1 19 19 LEU H H 19 7.580 7.580 7.248 0.332 25476 6897 1 11 . 1 1 20 20 GLY N N 20 103.280 103.280 106.174 -2.894 25476 6898 1 11 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.749 -0.689 25476 6899 1 11 . 1 1 20 20 GLY H H 20 7.650 7.650 7.290 0.360 25476 6900 1 11 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.599 0.271 25476 6901 1 11 . 1 1 21 21 PRO C C 21 174.850 174.850 176.507 -1.657 25476 6902 1 11 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.507 0.633 25476 6903 1 11 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.550 -3.650 25476 6904 1 11 . 1 1 22 22 TYR N N 22 120.690 120.690 117.586 3.104 25476 6905 1 11 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.329 0.851 25476 6906 1 11 . 1 1 22 22 TYR C C 22 176.340 176.340 176.808 -0.468 25476 6907 1 11 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.512 -1.732 25476 6908 1 11 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.532 2.968 25476 6909 1 11 . 1 1 22 22 TYR H H 22 7.680 7.680 8.575 -0.895 25476 6910 1 11 . 1 1 23 23 ILE N N 23 119.130 119.130 123.303 -4.173 25476 6911 1 11 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.094 0.026 25476 6912 1 11 . 1 1 23 23 ILE C C 23 174.210 174.210 176.139 -1.929 25476 6913 1 11 . 1 1 23 23 ILE CA C 23 61.830 61.830 60.858 0.973 25476 6914 1 11 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.551 -0.051 25476 6915 1 11 . 1 1 23 23 ILE H H 23 8.860 8.860 8.544 0.316 25476 6916 1 11 . 1 1 24 24 ARG N N 24 126.540 126.540 128.191 -1.651 25476 6917 1 11 . 1 1 24 24 ARG C C 24 177.290 177.290 176.289 1.001 25476 6918 1 11 . 1 1 24 24 ARG CA C 24 52.090 52.090 56.016 -3.926 25476 6919 1 11 . 1 1 24 24 ARG H H 24 8.100 8.100 8.659 -0.559 25476 6920 1 11 . 1 1 25 25 GLU N N 25 126.990 126.990 123.927 3.063 25476 6921 1 11 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.265 -0.165 25476 6922 1 11 . 1 1 25 25 GLU C C 25 176.780 176.780 175.856 0.924 25476 6923 1 11 . 1 1 25 25 GLU CA C 25 60.860 60.860 57.211 3.649 25476 6924 1 11 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.387 -0.737 25476 6925 1 11 . 1 1 25 25 GLU H H 25 9.400 9.400 8.110 1.290 25476 6926 1 11 . 1 1 26 26 GLY N N 26 109.830 109.830 107.315 2.515 25476 6927 1 11 . 1 1 26 26 GLY C C 26 174.380 174.380 172.858 1.522 25476 6928 1 11 . 1 1 26 26 GLY CA C 26 45.520 45.520 45.185 0.335 25476 6929 1 11 . 1 1 26 26 GLY H H 26 8.070 8.070 8.300 -0.230 25476 6930 1 11 . 1 1 27 27 GLN N N 27 117.670 117.670 121.377 -3.707 25476 6931 1 11 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.708 -0.398 25476 6932 1 11 . 1 1 27 27 GLN C C 27 175.350 175.350 175.205 0.145 25476 6933 1 11 . 1 1 27 27 GLN CA C 27 55.320 55.320 55.180 0.140 25476 6934 1 11 . 1 1 27 27 GLN CB C 27 29.340 29.340 28.640 0.700 25476 6935 1 11 . 1 1 27 27 GLN H H 27 7.690 7.690 8.461 -0.771 25476 6936 1 11 . 1 1 28 28 CYS N N 28 119.770 119.770 118.735 1.035 25476 6937 1 11 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.769 -0.229 25476 6938 1 11 . 1 1 28 28 CYS C C 28 173.480 173.480 174.676 -1.196 25476 6939 1 11 . 1 1 28 28 CYS CA C 28 58.810 58.810 57.596 1.214 25476 6940 1 11 . 1 1 28 28 CYS CB C 28 27.070 27.070 30.360 -3.290 25476 6941 1 11 . 1 1 28 28 CYS H H 28 7.510 7.510 7.832 -0.322 25476 6942 1 11 . 1 1 29 29 GLU N N 29 124.370 124.370 121.522 2.848 25476 6943 1 11 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.235 0.305 25476 6944 1 11 . 1 1 29 29 GLU C C 29 174.810 174.810 176.185 -1.375 25476 6945 1 11 . 1 1 29 29 GLU CA C 29 55.560 55.560 56.927 -1.367 25476 6946 1 11 . 1 1 29 29 GLU CB C 29 30.030 30.030 30.052 -0.022 25476 6947 1 11 . 1 1 29 29 GLU H H 29 7.840 7.840 8.471 -0.631 25476 6948 1 11 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.714 -0.134 25476 6949 1 11 . 1 1 31 31 ASN CA C 31 53.450 53.450 51.922 1.528 25476 6950 1 11 . 1 1 31 31 ASN CB C 31 39.200 39.200 41.189 -1.989 25476 6951 1 11 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.635 0.875 25476 6952 1 11 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.809 0.241 25476 6953 1 11 . 1 1 32 32 ARG CB C 32 33.480 33.480 32.538 0.942 25476 6954 1 11 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.921 0.319 25476 6955 1 11 . 1 1 34 34 PHE C C 34 172.210 172.210 174.778 -2.568 25476 6956 1 11 . 1 1 34 34 PHE CA C 34 57.690 57.690 56.904 0.786 25476 6957 1 11 . 1 1 34 34 PHE CB C 34 44.100 44.100 42.947 1.153 25476 6958 1 11 . 1 1 35 35 PHE N N 35 125.800 125.800 119.078 6.722 25476 6959 1 11 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.754 0.416 25476 6960 1 11 . 1 1 35 35 PHE C C 35 173.110 173.110 173.743 -0.633 25476 6961 1 11 . 1 1 35 35 PHE CA C 35 54.860 54.860 57.316 -2.456 25476 6962 1 11 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.778 0.472 25476 6963 1 11 . 1 1 35 35 PHE H H 35 8.660 8.660 8.712 -0.052 25476 6964 1 11 . 1 1 36 36 ASP N N 36 120.960 120.960 124.617 -3.657 25476 6965 1 11 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.464 0.116 25476 6966 1 11 . 1 1 36 36 ASP CA C 36 54.160 54.160 53.212 0.948 25476 6967 1 11 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.463 -0.433 25476 6968 1 11 . 1 1 36 36 ASP H H 36 9.370 9.370 8.506 0.864 25476 6969 1 11 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.438 -0.448 25476 6970 1 11 . 1 1 37 37 CYS C C 37 173.460 173.460 173.141 0.319 25476 6971 1 11 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.536 0.074 25476 6972 1 11 . 1 1 37 37 CYS CB C 37 27.170 27.170 28.049 -0.879 25476 6973 1 11 . 1 1 38 38 LEU N N 38 131.890 131.890 128.770 3.120 25476 6974 1 11 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.756 -0.546 25476 6975 1 11 . 1 1 38 38 LEU C C 38 175.570 175.570 176.380 -0.810 25476 6976 1 11 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.446 -0.916 25476 6977 1 11 . 1 1 38 38 LEU CB C 38 37.270 37.270 43.597 -6.327 25476 6978 1 11 . 1 1 38 38 LEU H H 38 8.430 8.430 8.676 -0.246 25476 6979 1 11 . 1 1 39 39 ALA N N 39 127.100 127.100 129.050 -1.950 25476 6980 1 11 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.712 -0.372 25476 6981 1 11 . 1 1 39 39 ALA C C 39 178.500 178.500 176.555 1.945 25476 6982 1 11 . 1 1 39 39 ALA CA C 39 55.380 55.380 52.838 2.542 25476 6983 1 11 . 1 1 39 39 ALA CB C 39 21.110 21.110 21.294 -0.184 25476 6984 1 11 . 1 1 39 39 ALA H H 39 7.960 7.960 8.929 -0.969 25476 6985 1 11 . 1 1 40 40 VAL N N 40 116.260 116.260 113.416 2.844 25476 6986 1 11 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.677 -0.057 25476 6987 1 11 . 1 1 40 40 VAL C C 40 173.990 173.990 173.859 0.131 25476 6988 1 11 . 1 1 40 40 VAL CA C 40 60.940 60.940 61.092 -0.152 25476 6989 1 11 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.032 1.448 25476 6990 1 11 . 1 1 40 40 VAL H H 40 8.590 8.590 7.988 0.602 25476 6991 1 11 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.961 -1.081 25476 6992 1 11 . 1 1 41 41 CYS C C 41 174.640 174.640 175.858 -1.218 25476 6993 1 11 . 1 1 41 41 CYS CA C 41 59.280 59.280 57.944 1.336 25476 6994 1 11 . 1 1 41 41 CYS CB C 41 26.700 26.700 30.355 -3.655 25476 6995 1 11 . 1 1 42 42 VAL N N 42 131.320 131.320 127.955 3.365 25476 6996 1 11 . 1 1 42 42 VAL HA H 42 3.480 3.480 4.423 -0.943 25476 6997 1 11 . 1 1 42 42 VAL C C 42 176.270 176.270 175.339 0.931 25476 6998 1 11 . 1 1 42 42 VAL CA C 42 65.390 65.390 62.542 2.848 25476 6999 1 11 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.791 0.049 25476 7000 1 11 . 1 1 42 42 VAL H H 42 8.610 8.610 8.160 0.450 25476 7001 1 11 . 1 1 43 43 ASN N N 43 116.070 116.070 116.930 -0.860 25476 7002 1 11 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.877 -0.087 25476 7003 1 11 . 1 1 43 43 ASN C C 43 175.160 175.160 173.931 1.229 25476 7004 1 11 . 1 1 43 43 ASN CA C 43 52.690 52.690 53.472 -0.782 25476 7005 1 11 . 1 1 43 43 ASN CB C 43 39.940 39.940 41.142 -1.202 25476 7006 1 11 . 1 1 43 43 ASN H H 43 7.280 7.280 7.521 -0.241 25476 7007 1 11 . 1 1 44 44 VAL N N 44 121.350 121.350 117.901 3.449 25476 7008 1 11 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.502 -0.382 25476 7009 1 11 . 1 1 44 44 VAL C C 44 175.460 175.460 175.282 0.178 25476 7010 1 11 . 1 1 44 44 VAL CA C 44 61.930 61.930 61.221 0.709 25476 7011 1 11 . 1 1 44 44 VAL CB C 44 31.630 31.630 31.690 -0.060 25476 7012 1 11 . 1 1 44 44 VAL H H 44 8.520 8.520 8.586 -0.066 25476 7013 1 11 . 1 1 45 45 LYS N N 45 123.190 123.190 120.637 2.553 25476 7014 1 11 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.331 -0.121 25476 7015 1 11 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.112 0.968 25476 7016 1 11 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.279 0.221 25476 7017 1 11 . 1 1 45 45 LYS H H 45 8.100 8.100 7.959 0.141 25476 7018 1 11 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.424 -0.054 25476 7019 1 11 . 1 1 46 46 PRO C C 46 174.380 174.380 175.849 -1.469 25476 7020 1 11 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.389 0.671 25476 7021 1 11 . 1 1 46 46 PRO CB C 46 31.660 31.660 32.071 -0.411 25476 7022 1 11 . 1 1 47 47 ALA N N 47 124.500 124.500 120.868 3.632 25476 7023 1 11 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.306 0.164 25476 7024 1 11 . 1 1 47 47 ALA C C 47 176.130 176.130 177.889 -1.759 25476 7025 1 11 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.482 -0.742 25476 7026 1 11 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.016 -0.716 25476 7027 1 11 . 1 1 47 47 ALA H H 47 8.300 8.300 8.371 -0.071 25476 7028 1 11 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.280 -0.470 25476 7029 1 11 . 1 1 48 48 PRO C C 48 178.270 178.270 178.391 -0.121 25476 7030 1 11 . 1 1 48 48 PRO CA C 48 66.150 66.150 65.072 1.078 25476 7031 1 11 . 1 1 48 48 PRO CB C 48 31.990 31.990 31.900 0.090 25476 7032 1 11 . 1 1 49 49 GLU N N 49 116.300 116.300 119.337 -3.037 25476 7033 1 11 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.117 0.173 25476 7034 1 11 . 1 1 49 49 GLU C C 49 176.550 176.550 176.984 -0.434 25476 7035 1 11 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.366 -0.246 25476 7036 1 11 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.659 -0.368 25476 7037 1 11 . 1 1 49 49 GLU H H 49 9.390 9.390 8.948 0.442 25476 7038 1 11 . 1 1 50 50 LYS N N 50 120.030 120.030 115.756 4.274 25476 7039 1 11 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.325 0.135 25476 7040 1 11 . 1 1 50 50 LYS C C 50 175.070 175.070 175.897 -0.827 25476 7041 1 11 . 1 1 50 50 LYS CA C 50 54.670 54.670 54.868 -0.198 25476 7042 1 11 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.482 0.688 25476 7043 1 11 . 1 1 50 50 LYS H H 50 8.350 8.350 7.295 1.055 25476 7044 1 11 . 1 1 51 51 ARG N N 51 119.720 119.720 121.246 -1.526 25476 7045 1 11 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.065 0.235 25476 7046 1 11 . 1 1 51 51 ARG C C 51 174.530 174.530 174.557 -0.027 25476 7047 1 11 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.401 0.289 25476 7048 1 11 . 1 1 51 51 ARG CB C 51 32.000 32.000 31.312 0.688 25476 7049 1 11 . 1 1 51 51 ARG H H 51 7.220 7.220 7.203 0.017 25476 7050 1 11 . 1 1 52 52 GLU N N 52 119.700 119.700 120.512 -0.812 25476 7051 1 11 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.271 0.419 25476 7052 1 11 . 1 1 52 52 GLU C C 52 175.260 175.260 175.200 0.060 25476 7053 1 11 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.974 -0.244 25476 7054 1 11 . 1 1 52 52 GLU H H 52 8.690 8.690 8.240 0.450 25476 7055 1 11 . 1 1 53 53 PHE N N 53 116.950 116.950 119.432 -2.482 25476 7056 1 11 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.728 0.432 25476 7057 1 11 . 1 1 53 53 PHE C C 53 174.970 174.970 174.649 0.321 25476 7058 1 11 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.737 1.223 25476 7059 1 11 . 1 1 53 53 PHE CB C 53 44.210 44.210 42.325 1.885 25476 7060 1 11 . 1 1 53 53 PHE H H 53 8.590 8.590 8.409 0.181 25476 7061 1 11 . 1 1 54 54 TRP N N 54 123.100 123.100 120.243 2.857 25476 7062 1 11 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.785 1.115 25476 7063 1 11 . 1 1 54 54 TRP C C 54 177.820 177.820 176.115 1.705 25476 7064 1 11 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.806 -1.566 25476 7065 1 11 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.683 1.187 25476 7066 1 11 . 1 1 54 54 TRP H H 54 9.520 9.520 9.074 0.446 25476 7067 1 11 . 1 1 55 55 GLY N N 55 110.840 110.840 108.578 2.262 25476 7068 1 11 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.625 1.615 25476 7069 1 11 . 1 1 55 55 GLY H H 55 9.550 9.550 8.448 1.102 25476 7070 1 11 . 1 1 57 57 TRP HA H 57 5.210 5.210 5.074 0.136 25476 7071 1 11 . 1 1 57 57 TRP CA C 57 57.700 57.700 55.681 2.019 25476 7072 1 11 . 1 1 58 58 MET N N 58 122.630 122.630 124.230 -1.600 25476 7073 1 11 . 1 1 58 58 MET HA H 58 4.370 4.370 5.076 -0.706 25476 7074 1 11 . 1 1 58 58 MET CA C 58 55.230 55.230 54.628 0.602 25476 7075 1 11 . 1 1 58 58 MET CB C 58 35.910 35.910 35.187 0.723 25476 7076 1 11 . 1 1 58 58 MET H H 58 9.680 9.680 8.740 0.940 25476 7077 1 11 . 1 1 59 59 GLU HA H 59 5.430 5.430 5.066 0.364 25476 7078 1 11 . 1 1 59 59 GLU C C 59 175.570 175.570 175.101 0.469 25476 7079 1 11 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.826 -0.566 25476 7080 1 11 . 1 1 60 60 LEU N N 60 126.920 126.920 119.496 7.424 25476 7081 1 11 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.946 1.114 25476 7082 1 11 . 1 1 60 60 LEU C C 60 176.470 176.470 174.856 1.614 25476 7083 1 11 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.630 -1.020 25476 7084 1 11 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.252 2.228 25476 7085 1 11 . 1 1 60 60 LEU H H 60 9.610 9.610 8.376 1.234 25476 7086 1 11 . 1 1 61 61 GLU N N 61 123.560 123.560 120.587 2.973 25476 7087 1 11 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.622 0.558 25476 7088 1 11 . 1 1 61 61 GLU C C 61 174.930 174.930 175.755 -0.825 25476 7089 1 11 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.996 0.054 25476 7090 1 11 . 1 1 61 61 GLU CB C 61 32.200 32.200 31.990 0.210 25476 7091 1 11 . 1 1 61 61 GLU H H 61 9.070 9.070 8.725 0.345 25476 7092 1 11 . 1 1 62 62 ALA N N 62 129.830 129.830 129.344 0.486 25476 7093 1 11 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.175 -0.055 25476 7094 1 11 . 1 1 62 62 ALA C C 62 175.760 175.760 177.044 -1.284 25476 7095 1 11 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.495 0.185 25476 7096 1 11 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.777 2.553 25476 7097 1 11 . 1 1 62 62 ALA H H 62 9.030 9.030 8.601 0.429 25476 7098 1 11 . 1 1 63 63 GLN N N 63 122.550 122.550 124.908 -2.358 25476 7099 1 11 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.089 0.661 25476 7100 1 11 . 1 1 63 63 GLN C C 63 175.470 175.470 177.173 -1.703 25476 7101 1 11 . 1 1 63 63 GLN CA C 63 53.940 53.940 55.363 -1.423 25476 7102 1 11 . 1 1 63 63 GLN CB C 63 29.650 29.650 29.716 -0.066 25476 7103 1 11 . 1 1 63 63 GLN H H 63 8.170 8.170 8.151 0.019 25476 7104 1 11 . 1 1 64 64 GLU N N 64 120.760 120.760 119.183 1.577 25476 7105 1 11 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.004 -0.454 25476 7106 1 11 . 1 1 64 64 GLU C C 64 176.740 176.740 176.413 0.327 25476 7107 1 11 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.086 2.254 25476 7108 1 11 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.892 -0.272 25476 7109 1 11 . 1 1 64 64 GLU H H 64 8.730 8.730 8.628 0.102 25476 7110 1 11 . 1 1 65 65 LYS N N 65 112.820 112.820 112.751 0.069 25476 7111 1 11 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.405 0.225 25476 7112 1 11 . 1 1 65 65 LYS C C 65 175.960 175.960 174.667 1.293 25476 7113 1 11 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.665 -0.875 25476 7114 1 11 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.385 0.915 25476 7115 1 11 . 1 1 65 65 LYS H H 65 8.750 8.750 7.813 0.937 25476 7116 1 11 . 1 1 66 66 ARG N N 66 115.100 115.100 118.048 -2.948 25476 7117 1 11 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.569 0.731 25476 7118 1 11 . 1 1 66 66 ARG C C 66 172.980 172.980 173.587 -0.607 25476 7119 1 11 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.688 -2.158 25476 7120 1 11 . 1 1 66 66 ARG CB C 66 33.000 33.000 34.450 -1.450 25476 7121 1 11 . 1 1 66 66 ARG H H 66 7.520 7.520 7.608 -0.088 25476 7122 1 11 . 1 1 67 67 PHE N N 67 119.960 119.960 118.227 1.733 25476 7123 1 11 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.992 0.748 25476 7124 1 11 . 1 1 67 67 PHE C C 67 176.040 176.040 175.115 0.925 25476 7125 1 11 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.228 -1.108 25476 7126 1 11 . 1 1 67 67 PHE CB C 67 41.950 41.950 43.957 -2.007 25476 7127 1 11 . 1 1 67 67 PHE H H 67 9.220 9.220 9.095 0.125 25476 7128 1 11 . 1 1 68 68 THR N N 68 111.030 111.030 115.750 -4.720 25476 7129 1 11 . 1 1 68 68 THR HA H 68 6.310 6.310 4.925 1.385 25476 7130 1 11 . 1 1 68 68 THR C C 68 175.340 175.340 172.705 2.635 25476 7131 1 11 . 1 1 68 68 THR CA C 68 57.990 57.990 59.935 -1.945 25476 7132 1 11 . 1 1 68 68 THR CB C 68 70.260 70.260 70.748 -0.487 25476 7133 1 11 . 1 1 68 68 THR H H 68 9.200 9.200 8.392 0.808 25476 7134 1 11 . 1 1 69 69 TYR N N 69 115.700 115.700 121.912 -6.212 25476 7135 1 11 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.852 1.238 25476 7136 1 11 . 1 1 69 69 TYR C C 69 173.310 173.310 172.200 1.110 25476 7137 1 11 . 1 1 69 69 TYR CA C 69 55.500 55.500 57.082 -1.582 25476 7138 1 11 . 1 1 69 69 TYR CB C 69 44.600 44.600 39.993 4.606 25476 7139 1 11 . 1 1 69 69 TYR H H 69 8.190 8.190 8.213 -0.023 25476 7140 1 11 . 1 1 70 70 ARG N N 70 115.070 115.070 119.089 -4.019 25476 7141 1 11 . 1 1 70 70 ARG HA H 70 5.510 5.510 3.850 1.660 25476 7142 1 11 . 1 1 70 70 ARG C C 70 175.220 175.220 173.986 1.234 25476 7143 1 11 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.597 0.553 25476 7144 1 11 . 1 1 70 70 ARG CB C 70 32.780 32.780 32.377 0.403 25476 7145 1 11 . 1 1 70 70 ARG H H 70 8.160 8.160 8.361 -0.201 25476 7146 1 11 . 1 1 71 71 TYR N N 71 118.750 118.750 118.013 0.737 25476 7147 1 11 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.483 -0.363 25476 7148 1 11 . 1 1 71 71 TYR H H 71 9.220 9.220 7.765 1.455 25476 7149 1 11 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.573 -0.153 25476 7150 1 11 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.558 0.292 25476 7151 1 11 . 1 1 72 72 GLN CB C 72 30.990 30.990 32.150 -1.160 25476 7152 1 11 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.650 1.180 25476 7153 1 11 . 1 1 73 73 PHE C C 73 177.280 177.280 176.031 1.249 25476 7154 1 11 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.881 -4.201 25476 7155 1 11 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.816 -1.016 25476 7156 1 11 . 1 1 74 74 GLY N N 74 108.520 108.520 111.756 -3.236 25476 7157 1 11 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.504 1.976 25476 7158 1 11 . 1 1 74 74 GLY H H 74 9.350 9.350 8.031 1.319 25476 7159 1 11 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.042 0.328 25476 7160 1 11 . 1 1 75 75 LEU C C 75 174.270 174.270 174.886 -0.616 25476 7161 1 11 . 1 1 75 75 LEU CA C 75 53.790 53.790 55.029 -1.239 25476 7162 1 11 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.656 0.204 25476 7163 1 11 . 1 1 76 76 PHE N N 76 135.230 135.230 126.298 8.932 25476 7164 1 11 . 1 1 76 76 PHE HA H 76 4.340 4.340 4.942 -0.602 25476 7165 1 11 . 1 1 76 76 PHE C C 76 174.690 174.690 173.788 0.902 25476 7166 1 11 . 1 1 76 76 PHE CA C 76 56.900 56.900 55.326 1.574 25476 7167 1 11 . 1 1 76 76 PHE H H 76 9.840 9.840 9.413 0.427 25476 7168 1 11 . 1 1 77 77 ASP N N 77 125.580 125.580 127.293 -1.713 25476 7169 1 11 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.385 -0.055 25476 7170 1 11 . 1 1 77 77 ASP C C 77 178.310 178.310 176.012 2.298 25476 7171 1 11 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.712 0.038 25476 7172 1 11 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.010 -0.550 25476 7173 1 11 . 1 1 77 77 ASP H H 77 7.940 7.940 8.090 -0.150 25476 7174 1 11 . 1 1 78 78 LYS N N 78 116.610 116.610 115.808 0.802 25476 7175 1 11 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.819 0.271 25476 7176 1 11 . 1 1 78 78 LYS C C 78 176.910 176.910 177.107 -0.197 25476 7177 1 11 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.065 -0.485 25476 7178 1 11 . 1 1 78 78 LYS CB C 78 31.030 31.030 31.911 -0.881 25476 7179 1 11 . 1 1 78 78 LYS H H 78 9.030 9.030 8.210 0.820 25476 7180 1 11 . 1 1 79 79 GLU N N 79 120.510 120.510 117.917 2.593 25476 7181 1 11 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.246 0.014 25476 7182 1 11 . 1 1 79 79 GLU C C 79 176.160 176.160 176.053 0.107 25476 7183 1 11 . 1 1 79 79 GLU CA C 79 55.330 55.330 55.638 -0.308 25476 7184 1 11 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.733 -0.313 25476 7185 1 11 . 1 1 79 79 GLU H H 79 7.850 7.850 7.739 0.111 25476 7186 1 11 . 1 1 80 80 GLY N N 80 109.610 109.610 107.383 2.227 25476 7187 1 11 . 1 1 80 80 GLY C C 80 172.820 172.820 174.012 -1.192 25476 7188 1 11 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.313 0.067 25476 7189 1 11 . 1 1 80 80 GLY H H 80 7.800 7.800 7.906 -0.106 25476 7190 1 11 . 1 1 81 81 ASN N N 81 117.680 117.680 119.157 -1.477 25476 7191 1 11 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.914 -0.204 25476 7192 1 11 . 1 1 81 81 ASN C C 81 174.110 174.110 174.919 -0.809 25476 7193 1 11 . 1 1 81 81 ASN CA C 81 51.160 51.160 51.775 -0.615 25476 7194 1 11 . 1 1 81 81 ASN CB C 81 40.160 40.160 39.534 0.626 25476 7195 1 11 . 1 1 81 81 ASN H H 81 7.560 7.560 8.597 -1.037 25476 7196 1 11 . 1 1 82 82 TRP N N 82 122.870 122.870 122.860 0.010 25476 7197 1 11 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.085 1.065 25476 7198 1 11 . 1 1 82 82 TRP C C 82 177.480 177.480 175.295 2.185 25476 7199 1 11 . 1 1 82 82 TRP CA C 82 57.260 57.260 56.600 0.660 25476 7200 1 11 . 1 1 82 82 TRP H H 82 8.480 8.480 8.410 0.070 25476 7201 1 11 . 1 1 83 83 THR N N 83 118.050 118.050 121.269 -3.219 25476 7202 1 11 . 1 1 83 83 THR HA H 83 4.820 4.820 4.322 0.498 25476 7203 1 11 . 1 1 83 83 THR C C 83 173.630 173.630 173.755 -0.125 25476 7204 1 11 . 1 1 83 83 THR CA C 83 60.470 60.470 61.899 -1.429 25476 7205 1 11 . 1 1 83 83 THR CB C 83 72.050 72.050 70.591 1.458 25476 7206 1 11 . 1 1 83 83 THR H H 83 9.280 9.280 8.678 0.602 25476 7207 1 11 . 1 1 84 84 VAL N N 84 125.990 125.990 123.617 2.373 25476 7208 1 11 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.294 0.236 25476 7209 1 11 . 1 1 84 84 VAL C C 84 175.440 175.440 175.620 -0.180 25476 7210 1 11 . 1 1 84 84 VAL CA C 84 64.280 64.280 63.472 0.808 25476 7211 1 11 . 1 1 84 84 VAL CB C 84 31.630 31.630 32.124 -0.494 25476 7212 1 11 . 1 1 84 84 VAL H H 84 9.100 9.100 8.396 0.705 25476 7213 1 11 . 1 1 85 85 VAL N N 85 124.640 124.640 128.150 -3.510 25476 7214 1 11 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.634 0.336 25476 7215 1 11 . 1 1 85 85 VAL CA C 85 58.050 58.050 59.035 -0.985 25476 7216 1 11 . 1 1 85 85 VAL CB C 85 35.190 35.190 35.755 -0.565 25476 7217 1 11 . 1 1 85 85 VAL H H 85 7.430 7.430 8.405 -0.975 25476 7218 1 11 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.655 -0.175 25476 7219 1 11 . 1 1 86 86 PRO C C 86 175.970 175.970 175.941 0.029 25476 7220 1 11 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.514 0.406 25476 7221 1 11 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.218 -0.288 25476 7222 1 11 . 1 1 87 87 ILE N N 87 123.980 123.980 121.505 2.475 25476 7223 1 11 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.798 0.122 25476 7224 1 11 . 1 1 87 87 ILE C C 87 175.510 175.510 175.498 0.012 25476 7225 1 11 . 1 1 87 87 ILE CA C 87 60.120 60.120 60.184 -0.065 25476 7226 1 11 . 1 1 87 87 ILE CB C 87 37.550 37.550 37.684 -0.134 25476 7227 1 11 . 1 1 87 87 ILE H H 87 8.500 8.500 8.135 0.365 25476 7228 1 11 . 1 1 88 88 ASN N N 88 119.050 119.050 125.855 -6.805 25476 7229 1 11 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.831 -0.471 25476 7230 1 11 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.544 -0.334 25476 7231 1 11 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.997 -2.257 25476 7232 1 11 . 1 1 88 88 ASN H H 88 8.390 8.390 8.394 -0.004 25476 7233 1 11 . 1 1 90 90 THR HA H 90 3.800 3.800 3.870 -0.070 25476 7234 1 11 . 1 1 90 90 THR C C 90 175.860 175.860 175.756 0.104 25476 7235 1 11 . 1 1 90 90 THR CA C 90 66.300 66.300 65.762 0.538 25476 7236 1 11 . 1 1 90 90 THR CB C 90 68.380 68.380 68.702 -0.322 25476 7237 1 11 . 1 1 91 91 GLU N N 91 120.430 120.430 119.996 0.434 25476 7238 1 11 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.069 0.041 25476 7239 1 11 . 1 1 91 91 GLU C C 91 179.320 179.320 178.767 0.553 25476 7240 1 11 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.081 0.379 25476 7241 1 11 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.878 0.163 25476 7242 1 11 . 1 1 91 91 GLU H H 91 9.440 9.440 8.785 0.655 25476 7243 1 11 . 1 1 92 92 VAL N N 92 119.810 119.810 119.346 0.464 25476 7244 1 11 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.869 -0.249 25476 7245 1 11 . 1 1 92 92 VAL C C 92 177.270 177.270 177.712 -0.442 25476 7246 1 11 . 1 1 92 92 VAL CA C 92 65.950 65.950 66.058 -0.108 25476 7247 1 11 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.504 -0.024 25476 7248 1 11 . 1 1 92 92 VAL H H 92 7.010 7.010 7.964 -0.954 25476 7249 1 11 . 1 1 93 93 VAL N N 93 120.570 120.570 121.048 -0.478 25476 7250 1 11 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.674 -0.384 25476 7251 1 11 . 1 1 93 93 VAL C C 93 177.970 177.970 177.481 0.489 25476 7252 1 11 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.507 0.843 25476 7253 1 11 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.760 -0.300 25476 7254 1 11 . 1 1 93 93 VAL H H 93 7.720 7.720 7.251 0.469 25476 7255 1 11 . 1 1 94 94 GLU N N 94 118.100 118.100 118.349 -0.249 25476 7256 1 11 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.327 -0.217 25476 7257 1 11 . 1 1 94 94 GLU C C 94 179.420 179.420 178.664 0.756 25476 7258 1 11 . 1 1 94 94 GLU CA C 94 59.650 59.650 58.799 0.851 25476 7259 1 11 . 1 1 94 94 GLU CB C 94 29.390 29.390 28.986 0.404 25476 7260 1 11 . 1 1 94 94 GLU H H 94 8.320 8.320 8.783 -0.463 25476 7261 1 11 . 1 1 95 95 ARG N N 95 120.330 120.330 120.766 -0.436 25476 7262 1 11 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.260 0.110 25476 7263 1 11 . 1 1 95 95 ARG C C 95 179.510 179.510 178.635 0.875 25476 7264 1 11 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.383 -0.843 25476 7265 1 11 . 1 1 95 95 ARG CB C 95 29.620 29.620 30.055 -0.435 25476 7266 1 11 . 1 1 95 95 ARG H H 95 7.350 7.350 7.401 -0.051 25476 7267 1 11 . 1 1 96 96 LEU N N 96 124.600 124.600 120.206 4.394 25476 7268 1 11 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.392 -0.562 25476 7269 1 11 . 1 1 96 96 LEU C C 96 177.600 177.600 179.273 -1.673 25476 7270 1 11 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.623 1.667 25476 7271 1 11 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.240 -1.640 25476 7272 1 11 . 1 1 96 96 LEU H H 96 8.600 8.600 7.992 0.608 25476 7273 1 11 . 1 1 97 97 GLU N N 97 118.190 118.190 119.505 -1.315 25476 7274 1 11 . 1 1 97 97 GLU HA H 97 3.740 3.740 3.994 -0.254 25476 7275 1 11 . 1 1 97 97 GLU C C 97 177.630 177.630 179.028 -1.398 25476 7276 1 11 . 1 1 97 97 GLU CA C 97 60.440 60.440 60.054 0.386 25476 7277 1 11 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.633 -1.413 25476 7278 1 11 . 1 1 97 97 GLU H H 97 8.540 8.540 8.245 0.295 25476 7279 1 11 . 1 1 98 98 TYR N N 98 119.160 119.160 119.634 -0.474 25476 7280 1 11 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.286 -0.216 25476 7281 1 11 . 1 1 98 98 TYR C C 98 179.010 179.010 177.452 1.558 25476 7282 1 11 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.498 0.622 25476 7283 1 11 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.748 0.042 25476 7284 1 11 . 1 1 98 98 TYR H H 98 8.380 8.380 7.698 0.682 25476 7285 1 11 . 1 1 99 99 THR N N 99 109.220 109.220 116.050 -6.830 25476 7286 1 11 . 1 1 99 99 THR HA H 99 4.310 4.310 4.081 0.229 25476 7287 1 11 . 1 1 99 99 THR C C 99 178.320 178.320 176.840 1.480 25476 7288 1 11 . 1 1 99 99 THR CA C 99 64.890 64.890 65.814 -0.923 25476 7289 1 11 . 1 1 99 99 THR CB C 99 69.810 69.810 68.752 1.058 25476 7290 1 11 . 1 1 99 99 THR H H 99 8.480 8.480 7.996 0.484 25476 7291 1 11 . 1 1 100 100 LEU N N 100 128.250 128.250 119.817 8.433 25476 7292 1 11 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.204 -0.664 25476 7293 1 11 . 1 1 100 100 LEU C C 100 177.870 177.870 178.514 -0.644 25476 7294 1 11 . 1 1 100 100 LEU CA C 100 58.200 58.200 57.855 0.345 25476 7295 1 11 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.509 0.951 25476 7296 1 11 . 1 1 100 100 LEU H H 100 8.200 8.200 8.458 -0.258 25476 7297 1 11 . 1 1 101 101 ARG N N 101 118.550 118.550 119.826 -1.276 25476 7298 1 11 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.954 -0.344 25476 7299 1 11 . 1 1 101 101 ARG C C 101 178.930 178.930 178.550 0.380 25476 7300 1 11 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.161 1.299 25476 7301 1 11 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.719 -0.429 25476 7302 1 11 . 1 1 101 101 ARG H H 101 8.440 8.440 8.104 0.336 25476 7303 1 11 . 1 1 102 102 GLU N N 102 119.760 119.760 118.515 1.245 25476 7304 1 11 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.009 -0.089 25476 7305 1 11 . 1 1 102 102 GLU C C 102 178.360 178.360 178.725 -0.365 25476 7306 1 11 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.521 0.429 25476 7307 1 11 . 1 1 102 102 GLU CB C 102 30.020 30.020 28.936 1.084 25476 7308 1 11 . 1 1 102 102 GLU H H 102 7.970 7.970 7.947 0.023 25476 7309 1 11 . 1 1 103 103 PHE N N 103 119.570 119.570 120.309 -0.739 25476 7310 1 11 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.153 -0.233 25476 7311 1 11 . 1 1 103 103 PHE C C 103 175.350 175.350 177.193 -1.843 25476 7312 1 11 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.307 -0.507 25476 7313 1 11 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.225 0.315 25476 7314 1 11 . 1 1 103 103 PHE H H 103 7.630 7.630 8.065 -0.435 25476 7315 1 11 . 1 1 104 104 HIS N N 104 119.160 119.160 118.752 0.408 25476 7316 1 11 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.311 -1.281 25476 7317 1 11 . 1 1 104 104 HIS C C 104 175.460 175.460 177.290 -1.830 25476 7318 1 11 . 1 1 104 104 HIS CA C 104 60.710 60.710 59.256 1.454 25476 7319 1 11 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.617 2.113 25476 7320 1 11 . 1 1 104 104 HIS H H 104 8.800 8.800 7.904 0.896 25476 7321 1 11 . 1 1 105 105 GLU N N 105 117.900 117.900 118.767 -0.867 25476 7322 1 11 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.453 -0.013 25476 7323 1 11 . 1 1 105 105 GLU C C 105 177.990 177.990 178.604 -0.614 25476 7324 1 11 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.289 0.321 25476 7325 1 11 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.495 -0.195 25476 7326 1 11 . 1 1 105 105 GLU H H 105 7.890 7.890 7.553 0.337 25476 7327 1 11 . 1 1 106 106 LYS N N 106 117.260 117.260 118.564 -1.304 25476 7328 1 11 . 1 1 106 106 LYS HA H 106 3.970 3.970 3.980 -0.010 25476 7329 1 11 . 1 1 106 106 LYS C C 106 179.570 179.570 178.713 0.857 25476 7330 1 11 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.911 -0.201 25476 7331 1 11 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.116 0.664 25476 7332 1 11 . 1 1 106 106 LYS H H 106 6.870 6.870 7.424 -0.554 25476 7333 1 11 . 1 1 107 107 LEU N N 107 123.180 123.180 121.798 1.382 25476 7334 1 11 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.981 -0.531 25476 7335 1 11 . 1 1 107 107 LEU C C 107 177.170 177.170 178.768 -1.598 25476 7336 1 11 . 1 1 107 107 LEU CA C 107 57.340 57.340 57.382 -0.042 25476 7337 1 11 . 1 1 107 107 LEU CB C 107 41.240 41.240 41.019 0.222 25476 7338 1 11 . 1 1 107 107 LEU H H 107 8.020 8.020 7.764 0.256 25476 7339 1 11 . 1 1 108 108 ARG N N 108 120.070 120.070 119.430 0.640 25476 7340 1 11 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.849 -0.439 25476 7341 1 11 . 1 1 108 108 ARG C C 108 178.460 178.460 178.498 -0.038 25476 7342 1 11 . 1 1 108 108 ARG CA C 108 59.640 59.640 59.797 -0.157 25476 7343 1 11 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.662 -0.452 25476 7344 1 11 . 1 1 108 108 ARG H H 108 8.680 8.680 7.927 0.753 25476 7345 1 11 . 1 1 109 109 ASP N N 109 119.480 119.480 119.778 -0.298 25476 7346 1 11 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.314 -0.004 25476 7347 1 11 . 1 1 109 109 ASP C C 109 178.900 178.900 178.513 0.387 25476 7348 1 11 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.166 -0.026 25476 7349 1 11 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.530 -0.660 25476 7350 1 11 . 1 1 109 109 ASP H H 109 7.890 7.890 7.387 0.503 25476 7351 1 11 . 1 1 110 110 LEU N N 110 122.740 122.740 120.816 1.924 25476 7352 1 11 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.960 0.140 25476 7353 1 11 . 1 1 110 110 LEU C C 110 179.830 179.830 178.532 1.298 25476 7354 1 11 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.943 -0.263 25476 7355 1 11 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.863 -0.573 25476 7356 1 11 . 1 1 110 110 LEU H H 110 7.650 7.650 7.349 0.301 25476 7357 1 11 . 1 1 111 111 LEU N N 111 122.170 122.170 119.083 3.087 25476 7358 1 11 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.812 0.018 25476 7359 1 11 . 1 1 111 111 LEU C C 111 179.990 179.990 179.098 0.892 25476 7360 1 11 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.245 0.365 25476 7361 1 11 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.345 -1.965 25476 7362 1 11 . 1 1 111 111 LEU H H 111 8.320 8.320 7.478 0.842 25476 7363 1 11 . 1 1 112 112 ILE N N 112 122.490 122.490 117.322 5.168 25476 7364 1 11 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.692 0.278 25476 7365 1 11 . 1 1 112 112 ILE C C 112 180.930 180.930 177.770 3.160 25476 7366 1 11 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.090 -0.430 25476 7367 1 11 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.563 -0.243 25476 7368 1 11 . 1 1 112 112 ILE H H 112 8.790 8.790 7.927 0.863 25476 7369 1 11 . 1 1 113 113 SER N N 113 119.860 119.860 115.587 4.273 25476 7370 1 11 . 1 1 113 113 SER HA H 113 4.400 4.400 4.270 0.130 25476 7371 1 11 . 1 1 113 113 SER C C 113 174.520 174.520 175.806 -1.286 25476 7372 1 11 . 1 1 113 113 SER CA C 113 61.390 61.390 60.924 0.466 25476 7373 1 11 . 1 1 113 113 SER CB C 113 62.630 62.630 63.362 -0.732 25476 7374 1 11 . 1 1 113 113 SER H H 113 7.720 7.720 7.666 0.054 25476 7375 1 11 . 1 1 114 114 MET N N 114 121.890 121.890 115.407 6.483 25476 7376 1 11 . 1 1 114 114 MET HA H 114 4.530 4.530 4.638 -0.108 25476 7377 1 11 . 1 1 114 114 MET C C 114 173.850 173.850 175.109 -1.259 25476 7378 1 11 . 1 1 114 114 MET CA C 114 55.330 55.330 55.546 -0.216 25476 7379 1 11 . 1 1 114 114 MET CB C 114 34.040 34.040 33.508 0.532 25476 7380 1 11 . 1 1 114 114 MET H H 114 7.480 7.480 7.361 0.119 25476 7381 1 11 . 1 1 115 115 GLU N N 115 114.160 114.160 115.945 -1.785 25476 7382 1 11 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.968 -0.068 25476 7383 1 11 . 1 1 115 115 GLU C C 115 174.880 174.880 175.184 -0.304 25476 7384 1 11 . 1 1 115 115 GLU CA C 115 57.270 57.270 56.945 0.325 25476 7385 1 11 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.275 -0.765 25476 7386 1 11 . 1 1 115 115 GLU H H 115 8.110 8.110 7.492 0.618 25476 7387 1 11 . 1 1 116 116 LEU N N 116 119.870 119.870 120.539 -0.669 25476 7388 1 11 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.537 0.123 25476 7389 1 11 . 1 1 116 116 LEU C C 116 174.910 174.910 176.908 -1.998 25476 7390 1 11 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.224 -0.124 25476 7391 1 11 . 1 1 116 116 LEU CB C 116 45.570 45.570 41.748 3.822 25476 7392 1 11 . 1 1 116 116 LEU H H 116 7.970 7.970 8.111 -0.141 25476 7393 1 11 . 1 1 117 117 ALA N N 117 123.730 123.730 129.210 -5.480 25476 7394 1 11 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.289 0.161 25476 7395 1 11 . 1 1 117 117 ALA C C 117 174.870 174.870 175.750 -0.880 25476 7396 1 11 . 1 1 117 117 ALA CA C 117 50.870 50.870 52.390 -1.520 25476 7397 1 11 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.028 0.672 25476 7398 1 11 . 1 1 117 117 ALA H H 117 7.530 7.530 8.560 -1.030 25476 7399 1 11 . 1 1 118 118 LEU N N 118 121.610 121.610 122.132 -0.522 25476 7400 1 11 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.670 -0.190 25476 7401 1 11 . 1 1 118 118 LEU C C 118 175.560 175.560 175.889 -0.329 25476 7402 1 11 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.648 -0.808 25476 7403 1 11 . 1 1 118 118 LEU CB C 118 43.490 43.490 45.663 -2.173 25476 7404 1 11 . 1 1 118 118 LEU H H 118 8.250 8.250 8.227 0.023 25476 7405 1 11 . 1 1 119 119 GLU N N 119 127.300 127.300 124.260 3.040 25476 7406 1 11 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.949 0.171 25476 7407 1 11 . 1 1 119 119 GLU C C 119 171.510 171.510 173.871 -2.361 25476 7408 1 11 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.877 -0.907 25476 7409 1 11 . 1 1 119 119 GLU CB C 119 32.870 32.870 33.180 -0.310 25476 7410 1 11 . 1 1 119 119 GLU H H 119 8.730 8.730 8.508 0.222 25476 7411 1 11 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.306 0.264 25476 7412 1 11 . 1 1 120 120 PRO C C 120 176.420 176.420 177.190 -0.770 25476 7413 1 11 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.311 -0.551 25476 7414 1 11 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.325 0.065 25476 7415 1 11 . 1 1 121 121 SER N N 121 117.040 117.040 114.851 2.189 25476 7416 1 11 . 1 1 121 121 SER HA H 121 4.060 4.060 4.265 -0.205 25476 7417 1 11 . 1 1 121 121 SER C C 121 175.150 175.150 175.701 -0.551 25476 7418 1 11 . 1 1 121 121 SER CA C 121 59.230 59.230 58.187 1.043 25476 7419 1 11 . 1 1 121 121 SER CB C 121 62.970 62.970 63.536 -0.566 25476 7420 1 11 . 1 1 121 121 SER H H 121 8.690 8.690 7.996 0.694 25476 7421 1 11 . 1 1 122 122 ASP N N 122 124.140 124.140 122.269 1.871 25476 7422 1 11 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.513 -0.143 25476 7423 1 11 . 1 1 122 122 ASP C C 122 176.240 176.240 176.141 0.099 25476 7424 1 11 . 1 1 122 122 ASP CA C 122 57.100 57.100 55.738 1.362 25476 7425 1 11 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.854 -0.664 25476 7426 1 11 . 1 1 122 122 ASP H H 122 8.830 8.830 8.724 0.106 25476 7427 1 11 . 1 1 123 123 ASP N N 123 115.720 115.720 116.175 -0.455 25476 7428 1 11 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.793 -0.173 25476 7429 1 11 . 1 1 123 123 ASP C C 123 174.850 174.850 175.622 -0.772 25476 7430 1 11 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.377 -0.586 25476 7431 1 11 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.265 0.005 25476 7432 1 11 . 1 1 123 123 ASP H H 123 8.210 8.210 8.269 -0.059 25476 7433 1 11 . 1 1 124 124 PHE N N 124 122.440 122.440 120.305 2.135 25476 7434 1 11 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.584 0.446 25476 7435 1 11 . 1 1 124 124 PHE C C 124 174.040 174.040 175.339 -1.299 25476 7436 1 11 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.502 -1.462 25476 7437 1 11 . 1 1 124 124 PHE CB C 124 42.170 42.170 40.912 1.258 25476 7438 1 11 . 1 1 124 124 PHE H H 124 8.060 8.060 7.616 0.444 25476 7439 1 11 . 1 1 125 125 ASN N N 125 126.850 126.850 120.398 6.452 25476 7440 1 11 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.845 -0.105 25476 7441 1 11 . 1 1 125 125 ASN C C 125 175.070 175.070 174.777 0.293 25476 7442 1 11 . 1 1 125 125 ASN CA C 125 53.430 53.430 52.392 1.038 25476 7443 1 11 . 1 1 125 125 ASN CB C 125 39.730 39.730 40.330 -0.600 25476 7444 1 11 . 1 1 125 125 ASN H H 125 7.700 7.700 8.261 -0.561 25476 7445 1 11 . 1 1 126 126 ASP N N 126 120.330 120.330 119.904 0.426 25476 7446 1 11 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.793 -0.663 25476 7447 1 11 . 1 1 126 126 ASP C C 126 176.280 176.280 175.136 1.144 25476 7448 1 11 . 1 1 126 126 ASP CA C 126 56.030 56.030 54.065 1.965 25476 7449 1 11 . 1 1 126 126 ASP CB C 126 39.100 39.100 39.216 -0.116 25476 7450 1 11 . 1 1 126 126 ASP H H 126 7.300 7.300 8.710 -1.410 25476 7451 1 11 . 1 1 127 127 GLU N N 127 127.840 127.840 120.853 6.987 25476 7452 1 11 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.610 -0.250 25476 7453 1 11 . 1 1 127 127 GLU CA C 127 55.470 55.470 54.559 0.911 25476 7454 1 11 . 1 1 127 127 GLU H H 127 8.320 8.320 7.943 0.377 25476 7455 1 11 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.614 0.056 25476 7456 1 11 . 1 1 128 128 PRO C C 128 176.010 176.010 176.534 -0.524 25476 7457 1 11 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.397 1.233 25476 7458 1 11 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.545 -0.605 25476 7459 1 11 . 1 1 129 129 VAL N N 129 122.940 122.940 121.419 1.521 25476 7460 1 11 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.863 0.127 25476 7461 1 11 . 1 1 129 129 VAL C C 129 173.650 173.650 176.168 -2.518 25476 7462 1 11 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.827 -1.847 25476 7463 1 11 . 1 1 129 129 VAL CB C 129 32.130 32.130 31.887 0.243 25476 7464 1 11 . 1 1 129 129 VAL H H 129 7.990 7.990 8.255 -0.265 25476 7465 1 11 . 1 1 130 130 LYS N N 130 124.620 124.620 128.436 -3.816 25476 7466 1 11 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.124 0.386 25476 7467 1 11 . 1 1 130 130 LYS C C 130 174.900 174.900 176.065 -1.165 25476 7468 1 11 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.802 -3.652 25476 7469 1 11 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.966 2.543 25476 7470 1 11 . 1 1 130 130 LYS H H 130 8.240 8.240 8.460 -0.220 25476 7471 1 11 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.446 -0.646 25476 7472 1 11 . 1 1 131 131 LEU C C 131 178.400 178.400 178.821 -0.421 25476 7473 1 11 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.446 -0.396 25476 7474 1 11 . 1 1 131 131 LEU CB C 131 40.800 40.800 42.797 -1.997 25476 7475 1 11 . 1 1 132 132 SER N N 132 115.550 115.550 114.866 0.684 25476 7476 1 11 . 1 1 132 132 SER HA H 132 4.610 4.610 4.460 0.150 25476 7477 1 11 . 1 1 132 132 SER C C 132 172.970 172.970 174.475 -1.505 25476 7478 1 11 . 1 1 132 132 SER CA C 132 58.620 58.620 57.201 1.419 25476 7479 1 11 . 1 1 132 132 SER CB C 132 63.310 63.310 62.178 1.132 25476 7480 1 11 . 1 1 132 132 SER H H 132 9.070 9.070 8.131 0.939 25476 7481 1 12 . 1 1 2 2 THR N N 2 118.280 118.280 113.707 4.573 25476 7482 1 12 . 1 1 2 2 THR HA H 2 4.550 4.550 5.138 -0.588 25476 7483 1 12 . 1 1 2 2 THR C C 2 174.150 174.150 174.602 -0.452 25476 7484 1 12 . 1 1 2 2 THR CA C 2 61.600 61.600 60.910 0.689 25476 7485 1 12 . 1 1 2 2 THR CB C 2 69.970 69.970 69.640 0.330 25476 7486 1 12 . 1 1 2 2 THR H H 2 8.470 8.470 8.287 0.183 25476 7487 1 12 . 1 1 3 3 LEU N N 3 125.130 125.130 121.739 3.391 25476 7488 1 12 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.569 0.091 25476 7489 1 12 . 1 1 3 3 LEU C C 3 176.690 176.690 178.199 -1.509 25476 7490 1 12 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.701 -0.161 25476 7491 1 12 . 1 1 3 3 LEU CB C 3 40.050 40.050 40.978 -0.928 25476 7492 1 12 . 1 1 3 3 LEU H H 3 8.580 8.580 8.235 0.345 25476 7493 1 12 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.373 -0.013 25476 7494 1 12 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.587 0.883 25476 7495 1 12 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.671 0.219 25476 7496 1 12 . 1 1 5 5 SER HA H 5 4.580 4.580 4.413 0.167 25476 7497 1 12 . 1 1 5 5 SER C C 5 175.510 175.510 175.500 0.010 25476 7498 1 12 . 1 1 5 5 SER CA C 5 59.410 59.410 59.343 0.067 25476 7499 1 12 . 1 1 5 5 SER CB C 5 63.110 63.110 63.250 -0.140 25476 7500 1 12 . 1 1 6 6 GLY N N 6 112.010 112.010 107.941 4.069 25476 7501 1 12 . 1 1 6 6 GLY C C 6 173.300 173.300 174.003 -0.703 25476 7502 1 12 . 1 1 6 6 GLY CA C 6 44.530 44.530 45.132 -0.602 25476 7503 1 12 . 1 1 6 6 GLY H H 6 8.620 8.620 7.449 1.171 25476 7504 1 12 . 1 1 7 7 HIS N N 7 119.440 119.440 121.029 -1.589 25476 7505 1 12 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.940 -0.260 25476 7506 1 12 . 1 1 7 7 HIS CA C 7 56.340 56.340 54.163 2.177 25476 7507 1 12 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.378 0.652 25476 7508 1 12 . 1 1 7 7 HIS H H 7 7.170 7.170 8.174 -1.004 25476 7509 1 12 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.500 0.290 25476 7510 1 12 . 1 1 8 8 PRO C C 8 178.140 178.140 177.226 0.914 25476 7511 1 12 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.037 -0.187 25476 7512 1 12 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.994 -1.014 25476 7513 1 12 . 1 1 9 9 LYS N N 9 127.570 127.570 126.547 1.023 25476 7514 1 12 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.231 -0.061 25476 7515 1 12 . 1 1 9 9 LYS C C 9 178.050 178.050 178.448 -0.398 25476 7516 1 12 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.448 0.382 25476 7517 1 12 . 1 1 9 9 LYS H H 9 9.000 9.000 8.819 0.181 25476 7518 1 12 . 1 1 10 10 SER N N 10 113.610 113.610 115.707 -2.097 25476 7519 1 12 . 1 1 10 10 SER HA H 10 4.120 4.120 4.251 -0.131 25476 7520 1 12 . 1 1 10 10 SER C C 10 176.750 176.750 176.564 0.186 25476 7521 1 12 . 1 1 10 10 SER CA C 10 61.050 61.050 62.527 -1.477 25476 7522 1 12 . 1 1 10 10 SER H H 10 9.170 9.170 8.916 0.254 25476 7523 1 12 . 1 1 11 11 ARG N N 11 122.220 122.220 120.862 1.358 25476 7524 1 12 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.102 0.048 25476 7525 1 12 . 1 1 11 11 ARG C C 11 177.890 177.890 178.590 -0.700 25476 7526 1 12 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.500 -0.220 25476 7527 1 12 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.529 0.481 25476 7528 1 12 . 1 1 11 11 ARG H H 11 7.100 7.100 8.409 -1.309 25476 7529 1 12 . 1 1 12 12 LEU N N 12 121.360 121.360 121.755 -0.395 25476 7530 1 12 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.757 -0.187 25476 7531 1 12 . 1 1 12 12 LEU C C 12 177.890 177.890 179.013 -1.123 25476 7532 1 12 . 1 1 12 12 LEU CA C 12 56.000 56.000 57.579 -1.579 25476 7533 1 12 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.065 -1.625 25476 7534 1 12 . 1 1 12 12 LEU H H 12 7.220 7.220 7.851 -0.631 25476 7535 1 12 . 1 1 13 13 ILE N N 13 118.920 118.920 119.809 -0.889 25476 7536 1 12 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.589 0.181 25476 7537 1 12 . 1 1 13 13 ILE C C 13 179.060 179.060 178.771 0.289 25476 7538 1 12 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.795 0.335 25476 7539 1 12 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.718 -0.288 25476 7540 1 12 . 1 1 13 13 ILE H H 13 8.590 8.590 8.694 -0.104 25476 7541 1 12 . 1 1 14 14 LYS N N 14 121.950 121.950 118.931 3.019 25476 7542 1 12 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.093 0.037 25476 7543 1 12 . 1 1 14 14 LYS C C 14 179.810 179.810 179.000 0.810 25476 7544 1 12 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.588 1.472 25476 7545 1 12 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.088 -0.008 25476 7546 1 12 . 1 1 14 14 LYS H H 14 7.730 7.730 8.023 -0.293 25476 7547 1 12 . 1 1 15 15 LYS N N 15 119.750 119.750 119.102 0.648 25476 7548 1 12 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.985 0.135 25476 7549 1 12 . 1 1 15 15 LYS C C 15 179.700 179.700 179.387 0.313 25476 7550 1 12 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.114 -0.383 25476 7551 1 12 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.394 -0.444 25476 7552 1 12 . 1 1 15 15 LYS H H 15 7.800 7.800 7.817 -0.017 25476 7553 1 12 . 1 1 16 16 PHE N N 16 117.660 117.660 118.511 -0.851 25476 7554 1 12 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.331 0.429 25476 7555 1 12 . 1 1 16 16 PHE C C 16 180.960 180.960 178.258 2.702 25476 7556 1 12 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.134 -3.494 25476 7557 1 12 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.188 0.612 25476 7558 1 12 . 1 1 16 16 PHE H H 16 9.130 9.130 8.541 0.589 25476 7559 1 12 . 1 1 17 17 THR N N 17 120.130 120.130 115.867 4.263 25476 7560 1 12 . 1 1 17 17 THR HA H 17 4.370 4.370 4.000 0.370 25476 7561 1 12 . 1 1 17 17 THR C C 17 175.550 175.550 176.033 -0.483 25476 7562 1 12 . 1 1 17 17 THR CA C 17 66.840 66.840 65.698 1.142 25476 7563 1 12 . 1 1 17 17 THR CB C 17 68.920 68.920 68.511 0.409 25476 7564 1 12 . 1 1 17 17 THR H H 17 8.940 8.940 7.668 1.272 25476 7565 1 12 . 1 1 18 18 ALA N N 18 122.170 122.170 122.878 -0.708 25476 7566 1 12 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.215 0.165 25476 7567 1 12 . 1 1 18 18 ALA C C 18 178.110 178.110 177.511 0.599 25476 7568 1 12 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.294 0.096 25476 7569 1 12 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.680 -0.380 25476 7570 1 12 . 1 1 18 18 ALA H H 18 7.310 7.310 7.733 -0.423 25476 7571 1 12 . 1 1 19 19 LEU N N 19 116.080 116.080 116.045 0.035 25476 7572 1 12 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.347 0.023 25476 7573 1 12 . 1 1 19 19 LEU C C 19 176.620 176.620 176.085 0.535 25476 7574 1 12 . 1 1 19 19 LEU CA C 19 56.630 56.630 53.976 2.654 25476 7575 1 12 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.072 0.348 25476 7576 1 12 . 1 1 19 19 LEU H H 19 7.580 7.580 7.561 0.019 25476 7577 1 12 . 1 1 20 20 GLY N N 20 103.280 103.280 106.343 -3.063 25476 7578 1 12 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.774 -0.714 25476 7579 1 12 . 1 1 20 20 GLY H H 20 7.650 7.650 7.288 0.362 25476 7580 1 12 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.306 0.564 25476 7581 1 12 . 1 1 21 21 PRO C C 21 174.850 174.850 176.475 -1.625 25476 7582 1 12 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.399 0.741 25476 7583 1 12 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.520 -3.620 25476 7584 1 12 . 1 1 22 22 TYR N N 22 120.690 120.690 117.751 2.939 25476 7585 1 12 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.267 0.913 25476 7586 1 12 . 1 1 22 22 TYR C C 22 176.340 176.340 176.635 -0.295 25476 7587 1 12 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.163 -1.383 25476 7588 1 12 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.111 3.389 25476 7589 1 12 . 1 1 22 22 TYR H H 22 7.680 7.680 8.196 -0.516 25476 7590 1 12 . 1 1 23 23 ILE N N 23 119.130 119.130 124.226 -5.096 25476 7591 1 12 . 1 1 23 23 ILE HA H 23 4.120 4.120 3.957 0.163 25476 7592 1 12 . 1 1 23 23 ILE C C 23 174.210 174.210 176.281 -2.071 25476 7593 1 12 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.113 0.717 25476 7594 1 12 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.313 0.187 25476 7595 1 12 . 1 1 23 23 ILE H H 23 8.860 8.860 8.384 0.476 25476 7596 1 12 . 1 1 24 24 ARG N N 24 126.540 126.540 127.155 -0.615 25476 7597 1 12 . 1 1 24 24 ARG C C 24 177.290 177.290 177.138 0.152 25476 7598 1 12 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.714 -3.624 25476 7599 1 12 . 1 1 24 24 ARG H H 24 8.100 8.100 8.218 -0.118 25476 7600 1 12 . 1 1 25 25 GLU N N 25 126.990 126.990 126.612 0.378 25476 7601 1 12 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.172 -0.072 25476 7602 1 12 . 1 1 25 25 GLU C C 25 176.780 176.780 177.084 -0.304 25476 7603 1 12 . 1 1 25 25 GLU CA C 25 60.860 60.860 59.003 1.857 25476 7604 1 12 . 1 1 25 25 GLU CB C 25 29.650 29.650 29.939 -0.289 25476 7605 1 12 . 1 1 25 25 GLU H H 25 9.400 9.400 8.806 0.594 25476 7606 1 12 . 1 1 26 26 GLY N N 26 109.830 109.830 106.973 2.857 25476 7607 1 12 . 1 1 26 26 GLY C C 26 174.380 174.380 173.699 0.681 25476 7608 1 12 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.952 0.568 25476 7609 1 12 . 1 1 26 26 GLY H H 26 8.070 8.070 8.036 0.034 25476 7610 1 12 . 1 1 27 27 GLN N N 27 117.670 117.670 120.148 -2.478 25476 7611 1 12 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.650 -0.340 25476 7612 1 12 . 1 1 27 27 GLN C C 27 175.350 175.350 175.689 -0.339 25476 7613 1 12 . 1 1 27 27 GLN CA C 27 55.320 55.320 54.830 0.490 25476 7614 1 12 . 1 1 27 27 GLN CB C 27 29.340 29.340 31.007 -1.667 25476 7615 1 12 . 1 1 27 27 GLN H H 27 7.690 7.690 8.142 -0.452 25476 7616 1 12 . 1 1 28 28 CYS N N 28 119.770 119.770 119.311 0.459 25476 7617 1 12 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.353 0.187 25476 7618 1 12 . 1 1 28 28 CYS C C 28 173.480 173.480 175.002 -1.522 25476 7619 1 12 . 1 1 28 28 CYS CA C 28 58.810 58.810 59.733 -0.923 25476 7620 1 12 . 1 1 28 28 CYS CB C 28 27.070 27.070 27.995 -0.926 25476 7621 1 12 . 1 1 28 28 CYS H H 28 7.510 7.510 8.412 -0.902 25476 7622 1 12 . 1 1 29 29 GLU N N 29 124.370 124.370 119.450 4.920 25476 7623 1 12 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.072 0.468 25476 7624 1 12 . 1 1 29 29 GLU C C 29 174.810 174.810 174.747 0.063 25476 7625 1 12 . 1 1 29 29 GLU CA C 29 55.560 55.560 56.947 -1.387 25476 7626 1 12 . 1 1 29 29 GLU CB C 29 30.030 30.030 29.474 0.555 25476 7627 1 12 . 1 1 29 29 GLU H H 29 7.840 7.840 8.642 -0.802 25476 7628 1 12 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.507 0.073 25476 7629 1 12 . 1 1 31 31 ASN CA C 31 53.450 53.450 54.103 -0.653 25476 7630 1 12 . 1 1 31 31 ASN CB C 31 39.200 39.200 38.552 0.648 25476 7631 1 12 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.340 1.170 25476 7632 1 12 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.893 0.157 25476 7633 1 12 . 1 1 32 32 ARG CB C 32 33.480 33.480 31.932 1.548 25476 7634 1 12 . 1 1 34 34 PHE HA H 34 5.240 5.240 5.077 0.163 25476 7635 1 12 . 1 1 34 34 PHE C C 34 172.210 172.210 173.359 -1.149 25476 7636 1 12 . 1 1 34 34 PHE CA C 34 57.690 57.690 56.922 0.768 25476 7637 1 12 . 1 1 34 34 PHE CB C 34 44.100 44.100 43.243 0.856 25476 7638 1 12 . 1 1 35 35 PHE N N 35 125.800 125.800 121.460 4.340 25476 7639 1 12 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.811 0.359 25476 7640 1 12 . 1 1 35 35 PHE C C 35 173.110 173.110 173.537 -0.427 25476 7641 1 12 . 1 1 35 35 PHE CA C 35 54.860 54.860 56.533 -1.673 25476 7642 1 12 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.780 0.470 25476 7643 1 12 . 1 1 35 35 PHE H H 35 8.660 8.660 8.249 0.411 25476 7644 1 12 . 1 1 36 36 ASP N N 36 120.960 120.960 121.677 -0.717 25476 7645 1 12 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.493 0.087 25476 7646 1 12 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.471 1.689 25476 7647 1 12 . 1 1 36 36 ASP CB C 36 41.030 41.030 40.522 0.508 25476 7648 1 12 . 1 1 36 36 ASP H H 36 9.370 9.370 8.519 0.851 25476 7649 1 12 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.420 -0.430 25476 7650 1 12 . 1 1 37 37 CYS C C 37 173.460 173.460 173.642 -0.182 25476 7651 1 12 . 1 1 37 37 CYS CA C 37 57.610 57.610 58.106 -0.496 25476 7652 1 12 . 1 1 37 37 CYS CB C 37 27.170 27.170 28.215 -1.044 25476 7653 1 12 . 1 1 38 38 LEU N N 38 131.890 131.890 129.540 2.350 25476 7654 1 12 . 1 1 38 38 LEU HA H 38 4.210 4.210 5.061 -0.851 25476 7655 1 12 . 1 1 38 38 LEU C C 38 175.570 175.570 176.286 -0.716 25476 7656 1 12 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.629 -1.099 25476 7657 1 12 . 1 1 38 38 LEU CB C 38 37.270 37.270 43.040 -5.770 25476 7658 1 12 . 1 1 38 38 LEU H H 38 8.430 8.430 8.713 -0.283 25476 7659 1 12 . 1 1 39 39 ALA N N 39 127.100 127.100 129.750 -2.650 25476 7660 1 12 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.717 -0.377 25476 7661 1 12 . 1 1 39 39 ALA C C 39 178.500 178.500 176.282 2.218 25476 7662 1 12 . 1 1 39 39 ALA CA C 39 55.380 55.380 52.762 2.618 25476 7663 1 12 . 1 1 39 39 ALA CB C 39 21.110 21.110 21.471 -0.361 25476 7664 1 12 . 1 1 39 39 ALA H H 39 7.960 7.960 8.946 -0.986 25476 7665 1 12 . 1 1 40 40 VAL N N 40 116.260 116.260 113.336 2.924 25476 7666 1 12 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.335 0.285 25476 7667 1 12 . 1 1 40 40 VAL C C 40 173.990 173.990 173.339 0.651 25476 7668 1 12 . 1 1 40 40 VAL CA C 40 60.940 60.940 59.380 1.560 25476 7669 1 12 . 1 1 40 40 VAL CB C 40 36.480 36.480 34.751 1.729 25476 7670 1 12 . 1 1 40 40 VAL H H 40 8.590 8.590 7.827 0.763 25476 7671 1 12 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.404 -0.524 25476 7672 1 12 . 1 1 41 41 CYS C C 41 174.640 174.640 175.944 -1.304 25476 7673 1 12 . 1 1 41 41 CYS CA C 41 59.280 59.280 56.823 2.457 25476 7674 1 12 . 1 1 41 41 CYS CB C 41 26.700 26.700 29.666 -2.966 25476 7675 1 12 . 1 1 42 42 VAL N N 42 131.320 131.320 125.318 6.002 25476 7676 1 12 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.846 -0.366 25476 7677 1 12 . 1 1 42 42 VAL C C 42 176.270 176.270 176.388 -0.118 25476 7678 1 12 . 1 1 42 42 VAL CA C 42 65.390 65.390 64.855 0.535 25476 7679 1 12 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.457 0.383 25476 7680 1 12 . 1 1 42 42 VAL H H 42 8.610 8.610 8.635 -0.025 25476 7681 1 12 . 1 1 43 43 ASN N N 43 116.070 116.070 115.914 0.156 25476 7682 1 12 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.878 -0.088 25476 7683 1 12 . 1 1 43 43 ASN C C 43 175.160 175.160 174.470 0.690 25476 7684 1 12 . 1 1 43 43 ASN CA C 43 52.690 52.690 52.808 -0.118 25476 7685 1 12 . 1 1 43 43 ASN CB C 43 39.940 39.940 41.300 -1.361 25476 7686 1 12 . 1 1 43 43 ASN H H 43 7.280 7.280 7.855 -0.575 25476 7687 1 12 . 1 1 44 44 VAL N N 44 121.350 121.350 119.687 1.663 25476 7688 1 12 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.239 -0.119 25476 7689 1 12 . 1 1 44 44 VAL C C 44 175.460 175.460 175.682 -0.222 25476 7690 1 12 . 1 1 44 44 VAL CA C 44 61.930 61.930 61.925 0.005 25476 7691 1 12 . 1 1 44 44 VAL CB C 44 31.630 31.630 31.866 -0.237 25476 7692 1 12 . 1 1 44 44 VAL H H 44 8.520 8.520 8.379 0.141 25476 7693 1 12 . 1 1 45 45 LYS N N 45 123.190 123.190 120.121 3.069 25476 7694 1 12 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.287 -0.077 25476 7695 1 12 . 1 1 45 45 LYS CA C 45 59.080 59.080 57.532 1.548 25476 7696 1 12 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.685 -0.185 25476 7697 1 12 . 1 1 45 45 LYS H H 45 8.100 8.100 8.021 0.079 25476 7698 1 12 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.415 -0.045 25476 7699 1 12 . 1 1 46 46 PRO C C 46 174.380 174.380 175.910 -1.530 25476 7700 1 12 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.479 0.581 25476 7701 1 12 . 1 1 46 46 PRO CB C 46 31.660 31.660 31.961 -0.301 25476 7702 1 12 . 1 1 47 47 ALA N N 47 124.500 124.500 121.744 2.756 25476 7703 1 12 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.242 0.228 25476 7704 1 12 . 1 1 47 47 ALA C C 47 176.130 176.130 176.793 -0.663 25476 7705 1 12 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.440 -0.700 25476 7706 1 12 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.570 -1.270 25476 7707 1 12 . 1 1 47 47 ALA H H 47 8.300 8.300 8.319 -0.019 25476 7708 1 12 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.294 -0.484 25476 7709 1 12 . 1 1 48 48 PRO C C 48 178.270 178.270 178.115 0.155 25476 7710 1 12 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.703 1.448 25476 7711 1 12 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.270 -0.280 25476 7712 1 12 . 1 1 49 49 GLU N N 49 116.300 116.300 117.493 -1.193 25476 7713 1 12 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.118 0.172 25476 7714 1 12 . 1 1 49 49 GLU C C 49 176.550 176.550 177.235 -0.685 25476 7715 1 12 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.211 -0.091 25476 7716 1 12 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.615 -0.325 25476 7717 1 12 . 1 1 49 49 GLU H H 49 9.390 9.390 8.663 0.727 25476 7718 1 12 . 1 1 50 50 LYS N N 50 120.030 120.030 117.928 2.102 25476 7719 1 12 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.318 0.142 25476 7720 1 12 . 1 1 50 50 LYS C C 50 175.070 175.070 175.848 -0.778 25476 7721 1 12 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.037 -0.367 25476 7722 1 12 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.304 0.866 25476 7723 1 12 . 1 1 50 50 LYS H H 50 8.350 8.350 7.421 0.929 25476 7724 1 12 . 1 1 51 51 ARG N N 51 119.720 119.720 119.827 -0.107 25476 7725 1 12 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.087 0.213 25476 7726 1 12 . 1 1 51 51 ARG C C 51 174.530 174.530 175.860 -1.330 25476 7727 1 12 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.853 -0.163 25476 7728 1 12 . 1 1 51 51 ARG CB C 51 32.000 32.000 30.689 1.312 25476 7729 1 12 . 1 1 51 51 ARG H H 51 7.220 7.220 7.148 0.072 25476 7730 1 12 . 1 1 52 52 GLU N N 52 119.700 119.700 122.566 -2.866 25476 7731 1 12 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.753 -0.063 25476 7732 1 12 . 1 1 52 52 GLU C C 52 175.260 175.260 175.135 0.125 25476 7733 1 12 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.899 -0.169 25476 7734 1 12 . 1 1 52 52 GLU H H 52 8.690 8.690 8.614 0.076 25476 7735 1 12 . 1 1 53 53 PHE N N 53 116.950 116.950 122.051 -5.101 25476 7736 1 12 . 1 1 53 53 PHE HA H 53 5.160 5.160 5.130 0.030 25476 7737 1 12 . 1 1 53 53 PHE C C 53 174.970 174.970 174.739 0.231 25476 7738 1 12 . 1 1 53 53 PHE CA C 53 56.960 56.960 56.078 0.882 25476 7739 1 12 . 1 1 53 53 PHE CB C 53 44.210 44.210 43.351 0.859 25476 7740 1 12 . 1 1 53 53 PHE H H 53 8.590 8.590 8.471 0.119 25476 7741 1 12 . 1 1 54 54 TRP N N 54 123.100 123.100 119.776 3.324 25476 7742 1 12 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.764 1.136 25476 7743 1 12 . 1 1 54 54 TRP C C 54 177.820 177.820 175.685 2.135 25476 7744 1 12 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.197 -0.956 25476 7745 1 12 . 1 1 54 54 TRP CB C 54 31.870 31.870 31.604 0.266 25476 7746 1 12 . 1 1 54 54 TRP H H 54 9.520 9.520 8.988 0.532 25476 7747 1 12 . 1 1 55 55 GLY N N 55 110.840 110.840 108.680 2.160 25476 7748 1 12 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.561 1.679 25476 7749 1 12 . 1 1 55 55 GLY H H 55 9.550 9.550 8.426 1.124 25476 7750 1 12 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.615 0.595 25476 7751 1 12 . 1 1 57 57 TRP CA C 57 57.700 57.700 55.066 2.635 25476 7752 1 12 . 1 1 58 58 MET N N 58 122.630 122.630 122.017 0.613 25476 7753 1 12 . 1 1 58 58 MET HA H 58 4.370 4.370 4.982 -0.612 25476 7754 1 12 . 1 1 58 58 MET CA C 58 55.230 55.230 55.203 0.027 25476 7755 1 12 . 1 1 58 58 MET CB C 58 35.910 35.910 35.169 0.741 25476 7756 1 12 . 1 1 58 58 MET H H 58 9.680 9.680 8.262 1.418 25476 7757 1 12 . 1 1 59 59 GLU HA H 59 5.430 5.430 5.087 0.343 25476 7758 1 12 . 1 1 59 59 GLU C C 59 175.570 175.570 175.476 0.094 25476 7759 1 12 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.774 -0.514 25476 7760 1 12 . 1 1 60 60 LEU N N 60 126.920 126.920 120.165 6.755 25476 7761 1 12 . 1 1 60 60 LEU HA H 60 6.060 6.060 5.077 0.983 25476 7762 1 12 . 1 1 60 60 LEU C C 60 176.470 176.470 175.848 0.622 25476 7763 1 12 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.230 -0.620 25476 7764 1 12 . 1 1 60 60 LEU CB C 60 47.480 47.480 44.786 2.694 25476 7765 1 12 . 1 1 60 60 LEU H H 60 9.610 9.610 8.528 1.082 25476 7766 1 12 . 1 1 61 61 GLU N N 61 123.560 123.560 120.210 3.350 25476 7767 1 12 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.500 0.680 25476 7768 1 12 . 1 1 61 61 GLU C C 61 174.930 174.930 175.404 -0.474 25476 7769 1 12 . 1 1 61 61 GLU CA C 61 55.050 55.050 55.229 -0.179 25476 7770 1 12 . 1 1 61 61 GLU CB C 61 32.200 32.200 32.992 -0.792 25476 7771 1 12 . 1 1 61 61 GLU H H 61 9.070 9.070 8.458 0.612 25476 7772 1 12 . 1 1 62 62 ALA N N 62 129.830 129.830 127.720 2.110 25476 7773 1 12 . 1 1 62 62 ALA HA H 62 3.120 3.120 2.915 0.205 25476 7774 1 12 . 1 1 62 62 ALA C C 62 175.760 175.760 176.772 -1.012 25476 7775 1 12 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.397 0.284 25476 7776 1 12 . 1 1 62 62 ALA CB C 62 21.330 21.330 19.306 2.024 25476 7777 1 12 . 1 1 62 62 ALA H H 62 9.030 9.030 8.363 0.667 25476 7778 1 12 . 1 1 63 63 GLN N N 63 122.550 122.550 120.885 1.665 25476 7779 1 12 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.404 0.346 25476 7780 1 12 . 1 1 63 63 GLN C C 63 175.470 175.470 177.016 -1.546 25476 7781 1 12 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.123 -0.183 25476 7782 1 12 . 1 1 63 63 GLN CB C 63 29.650 29.650 31.683 -2.033 25476 7783 1 12 . 1 1 63 63 GLN H H 63 8.170 8.170 8.046 0.124 25476 7784 1 12 . 1 1 64 64 GLU N N 64 120.760 120.760 118.846 1.914 25476 7785 1 12 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.008 -0.458 25476 7786 1 12 . 1 1 64 64 GLU C C 64 176.740 176.740 176.031 0.709 25476 7787 1 12 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.308 2.032 25476 7788 1 12 . 1 1 64 64 GLU CB C 64 29.620 29.620 30.000 -0.380 25476 7789 1 12 . 1 1 64 64 GLU H H 64 8.730 8.730 8.649 0.081 25476 7790 1 12 . 1 1 65 65 LYS N N 65 112.820 112.820 113.547 -0.727 25476 7791 1 12 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.481 0.149 25476 7792 1 12 . 1 1 65 65 LYS C C 65 175.960 175.960 175.144 0.816 25476 7793 1 12 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.486 -0.696 25476 7794 1 12 . 1 1 65 65 LYS CB C 65 33.300 33.300 31.974 1.325 25476 7795 1 12 . 1 1 65 65 LYS H H 65 8.750 8.750 8.136 0.614 25476 7796 1 12 . 1 1 66 66 ARG N N 66 115.100 115.100 118.408 -3.308 25476 7797 1 12 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.623 0.677 25476 7798 1 12 . 1 1 66 66 ARG C C 66 172.980 172.980 173.393 -0.413 25476 7799 1 12 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.879 -2.349 25476 7800 1 12 . 1 1 66 66 ARG CB C 66 33.000 33.000 34.499 -1.499 25476 7801 1 12 . 1 1 66 66 ARG H H 66 7.520 7.520 7.610 -0.090 25476 7802 1 12 . 1 1 67 67 PHE N N 67 119.960 119.960 116.520 3.440 25476 7803 1 12 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.947 0.793 25476 7804 1 12 . 1 1 67 67 PHE C C 67 176.040 176.040 174.767 1.273 25476 7805 1 12 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.596 -1.476 25476 7806 1 12 . 1 1 67 67 PHE CB C 67 41.950 41.950 44.108 -2.158 25476 7807 1 12 . 1 1 67 67 PHE H H 67 9.220 9.220 8.518 0.702 25476 7808 1 12 . 1 1 68 68 THR N N 68 111.030 111.030 116.399 -5.369 25476 7809 1 12 . 1 1 68 68 THR HA H 68 6.310 6.310 4.824 1.486 25476 7810 1 12 . 1 1 68 68 THR C C 68 175.340 175.340 172.395 2.945 25476 7811 1 12 . 1 1 68 68 THR CA C 68 57.990 57.990 60.584 -2.594 25476 7812 1 12 . 1 1 68 68 THR CB C 68 70.260 70.260 71.156 -0.896 25476 7813 1 12 . 1 1 68 68 THR H H 68 9.200 9.200 8.389 0.811 25476 7814 1 12 . 1 1 69 69 TYR N N 69 115.700 115.700 121.571 -5.871 25476 7815 1 12 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.905 1.185 25476 7816 1 12 . 1 1 69 69 TYR C C 69 173.310 173.310 172.517 0.793 25476 7817 1 12 . 1 1 69 69 TYR CA C 69 55.500 55.500 56.622 -1.122 25476 7818 1 12 . 1 1 69 69 TYR CB C 69 44.600 44.600 39.725 4.875 25476 7819 1 12 . 1 1 69 69 TYR H H 69 8.190 8.190 8.573 -0.383 25476 7820 1 12 . 1 1 70 70 ARG N N 70 115.070 115.070 119.093 -4.023 25476 7821 1 12 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.189 1.321 25476 7822 1 12 . 1 1 70 70 ARG C C 70 175.220 175.220 174.266 0.954 25476 7823 1 12 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.239 0.911 25476 7824 1 12 . 1 1 70 70 ARG CB C 70 32.780 32.780 33.812 -1.032 25476 7825 1 12 . 1 1 70 70 ARG H H 70 8.160 8.160 8.221 -0.061 25476 7826 1 12 . 1 1 71 71 TYR N N 71 118.750 118.750 121.284 -2.534 25476 7827 1 12 . 1 1 71 71 TYR CA C 71 56.120 56.120 58.006 -1.886 25476 7828 1 12 . 1 1 71 71 TYR H H 71 9.220 9.220 8.632 0.588 25476 7829 1 12 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.698 -0.278 25476 7830 1 12 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.559 0.291 25476 7831 1 12 . 1 1 72 72 GLN CB C 72 30.990 30.990 32.266 -1.276 25476 7832 1 12 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.454 1.376 25476 7833 1 12 . 1 1 73 73 PHE C C 73 177.280 177.280 175.328 1.952 25476 7834 1 12 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.665 -3.985 25476 7835 1 12 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.971 -1.171 25476 7836 1 12 . 1 1 74 74 GLY N N 74 108.520 108.520 108.890 -0.370 25476 7837 1 12 . 1 1 74 74 GLY CA C 74 47.480 47.480 44.908 2.572 25476 7838 1 12 . 1 1 74 74 GLY H H 74 9.350 9.350 7.780 1.570 25476 7839 1 12 . 1 1 75 75 LEU HA H 75 5.370 5.370 4.989 0.381 25476 7840 1 12 . 1 1 75 75 LEU C C 75 174.270 174.270 174.802 -0.532 25476 7841 1 12 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.533 -0.744 25476 7842 1 12 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.278 0.582 25476 7843 1 12 . 1 1 76 76 PHE N N 76 135.230 135.230 126.591 8.639 25476 7844 1 12 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.100 -0.760 25476 7845 1 12 . 1 1 76 76 PHE C C 76 174.690 174.690 173.773 0.917 25476 7846 1 12 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.392 0.508 25476 7847 1 12 . 1 1 76 76 PHE H H 76 9.840 9.840 8.623 1.217 25476 7848 1 12 . 1 1 77 77 ASP N N 77 125.580 125.580 127.844 -2.264 25476 7849 1 12 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.598 -0.268 25476 7850 1 12 . 1 1 77 77 ASP C C 77 178.310 178.310 176.587 1.723 25476 7851 1 12 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.855 -0.105 25476 7852 1 12 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.701 -1.241 25476 7853 1 12 . 1 1 77 77 ASP H H 77 7.940 7.940 8.278 -0.338 25476 7854 1 12 . 1 1 78 78 LYS N N 78 116.610 116.610 119.114 -2.504 25476 7855 1 12 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.810 0.280 25476 7856 1 12 . 1 1 78 78 LYS C C 78 176.910 176.910 176.971 -0.061 25476 7857 1 12 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.278 -0.698 25476 7858 1 12 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.202 -1.172 25476 7859 1 12 . 1 1 78 78 LYS H H 78 9.030 9.030 8.478 0.552 25476 7860 1 12 . 1 1 79 79 GLU N N 79 120.510 120.510 118.237 2.273 25476 7861 1 12 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.329 -0.069 25476 7862 1 12 . 1 1 79 79 GLU C C 79 176.160 176.160 176.301 -0.141 25476 7863 1 12 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.250 -0.920 25476 7864 1 12 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.829 -0.409 25476 7865 1 12 . 1 1 79 79 GLU H H 79 7.850 7.850 7.981 -0.131 25476 7866 1 12 . 1 1 80 80 GLY N N 80 109.610 109.610 107.457 2.153 25476 7867 1 12 . 1 1 80 80 GLY C C 80 172.820 172.820 173.832 -1.012 25476 7868 1 12 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.447 -0.067 25476 7869 1 12 . 1 1 80 80 GLY H H 80 7.800 7.800 7.834 -0.034 25476 7870 1 12 . 1 1 81 81 ASN N N 81 117.680 117.680 117.693 -0.013 25476 7871 1 12 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.304 0.406 25476 7872 1 12 . 1 1 81 81 ASN C C 81 174.110 174.110 175.699 -1.589 25476 7873 1 12 . 1 1 81 81 ASN CA C 81 51.160 51.160 52.840 -1.680 25476 7874 1 12 . 1 1 81 81 ASN CB C 81 40.160 40.160 38.924 1.236 25476 7875 1 12 . 1 1 81 81 ASN H H 81 7.560 7.560 7.750 -0.190 25476 7876 1 12 . 1 1 82 82 TRP N N 82 122.870 122.870 122.279 0.591 25476 7877 1 12 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.501 0.649 25476 7878 1 12 . 1 1 82 82 TRP C C 82 177.480 177.480 175.600 1.880 25476 7879 1 12 . 1 1 82 82 TRP CA C 82 57.260 57.260 57.188 0.072 25476 7880 1 12 . 1 1 82 82 TRP H H 82 8.480 8.480 7.932 0.548 25476 7881 1 12 . 1 1 83 83 THR N N 83 118.050 118.050 121.296 -3.246 25476 7882 1 12 . 1 1 83 83 THR HA H 83 4.820 4.820 4.627 0.193 25476 7883 1 12 . 1 1 83 83 THR C C 83 173.630 173.630 173.896 -0.266 25476 7884 1 12 . 1 1 83 83 THR CA C 83 60.470 60.470 62.068 -1.598 25476 7885 1 12 . 1 1 83 83 THR CB C 83 72.050 72.050 70.856 1.194 25476 7886 1 12 . 1 1 83 83 THR H H 83 9.280 9.280 8.822 0.458 25476 7887 1 12 . 1 1 84 84 VAL N N 84 125.990 125.990 123.064 2.926 25476 7888 1 12 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.331 0.199 25476 7889 1 12 . 1 1 84 84 VAL C C 84 175.440 175.440 175.585 -0.145 25476 7890 1 12 . 1 1 84 84 VAL CA C 84 64.280 64.280 63.455 0.825 25476 7891 1 12 . 1 1 84 84 VAL CB C 84 31.630 31.630 32.080 -0.450 25476 7892 1 12 . 1 1 84 84 VAL H H 84 9.100 9.100 8.476 0.624 25476 7893 1 12 . 1 1 85 85 VAL N N 85 124.640 124.640 128.001 -3.361 25476 7894 1 12 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.672 0.298 25476 7895 1 12 . 1 1 85 85 VAL CA C 85 58.050 58.050 59.208 -1.158 25476 7896 1 12 . 1 1 85 85 VAL CB C 85 35.190 35.190 35.245 -0.055 25476 7897 1 12 . 1 1 85 85 VAL H H 85 7.430 7.430 8.461 -1.031 25476 7898 1 12 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.630 -0.150 25476 7899 1 12 . 1 1 86 86 PRO C C 86 175.970 175.970 175.656 0.314 25476 7900 1 12 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.721 0.199 25476 7901 1 12 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.242 -0.312 25476 7902 1 12 . 1 1 87 87 ILE N N 87 123.980 123.980 121.266 2.714 25476 7903 1 12 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.257 0.663 25476 7904 1 12 . 1 1 87 87 ILE C C 87 175.510 175.510 176.136 -0.626 25476 7905 1 12 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.447 0.673 25476 7906 1 12 . 1 1 87 87 ILE CB C 87 37.550 37.550 37.656 -0.106 25476 7907 1 12 . 1 1 87 87 ILE H H 87 8.500 8.500 7.922 0.578 25476 7908 1 12 . 1 1 88 88 ASN N N 88 119.050 119.050 121.500 -2.450 25476 7909 1 12 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.456 -0.096 25476 7910 1 12 . 1 1 88 88 ASN CA C 88 52.210 52.210 53.611 -1.401 25476 7911 1 12 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.297 -1.557 25476 7912 1 12 . 1 1 88 88 ASN H H 88 8.390 8.390 7.900 0.490 25476 7913 1 12 . 1 1 90 90 THR HA H 90 3.800 3.800 3.844 -0.044 25476 7914 1 12 . 1 1 90 90 THR C C 90 175.860 175.860 176.022 -0.162 25476 7915 1 12 . 1 1 90 90 THR CA C 90 66.300 66.300 66.420 -0.120 25476 7916 1 12 . 1 1 90 90 THR CB C 90 68.380 68.380 68.547 -0.167 25476 7917 1 12 . 1 1 91 91 GLU N N 91 120.430 120.430 119.468 0.962 25476 7918 1 12 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.024 0.086 25476 7919 1 12 . 1 1 91 91 GLU C C 91 179.320 179.320 178.601 0.719 25476 7920 1 12 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.135 0.325 25476 7921 1 12 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.840 0.200 25476 7922 1 12 . 1 1 91 91 GLU H H 91 9.440 9.440 8.626 0.814 25476 7923 1 12 . 1 1 92 92 VAL N N 92 119.810 119.810 119.980 -0.170 25476 7924 1 12 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.840 -0.220 25476 7925 1 12 . 1 1 92 92 VAL C C 92 177.270 177.270 177.969 -0.699 25476 7926 1 12 . 1 1 92 92 VAL CA C 92 65.950 65.950 64.725 1.225 25476 7927 1 12 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.454 0.026 25476 7928 1 12 . 1 1 92 92 VAL H H 92 7.010 7.010 7.677 -0.667 25476 7929 1 12 . 1 1 93 93 VAL N N 93 120.570 120.570 120.519 0.051 25476 7930 1 12 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.465 -0.175 25476 7931 1 12 . 1 1 93 93 VAL C C 93 177.970 177.970 177.525 0.445 25476 7932 1 12 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.751 0.599 25476 7933 1 12 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.731 -0.271 25476 7934 1 12 . 1 1 93 93 VAL H H 93 7.720 7.720 7.455 0.265 25476 7935 1 12 . 1 1 94 94 GLU N N 94 118.100 118.100 118.610 -0.510 25476 7936 1 12 . 1 1 94 94 GLU HA H 94 4.110 4.110 3.942 0.168 25476 7937 1 12 . 1 1 94 94 GLU C C 94 179.420 179.420 178.842 0.578 25476 7938 1 12 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.608 0.042 25476 7939 1 12 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.483 -0.093 25476 7940 1 12 . 1 1 94 94 GLU H H 94 8.320 8.320 8.283 0.037 25476 7941 1 12 . 1 1 95 95 ARG N N 95 120.330 120.330 120.192 0.138 25476 7942 1 12 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.203 0.167 25476 7943 1 12 . 1 1 95 95 ARG C C 95 179.510 179.510 178.837 0.673 25476 7944 1 12 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.278 -0.738 25476 7945 1 12 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.661 -0.041 25476 7946 1 12 . 1 1 95 95 ARG H H 95 7.350 7.350 7.865 -0.515 25476 7947 1 12 . 1 1 96 96 LEU N N 96 124.600 124.600 120.717 3.883 25476 7948 1 12 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.366 -0.536 25476 7949 1 12 . 1 1 96 96 LEU C C 96 177.600 177.600 179.152 -1.552 25476 7950 1 12 . 1 1 96 96 LEU CA C 96 59.290 59.290 58.293 0.997 25476 7951 1 12 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.966 -2.366 25476 7952 1 12 . 1 1 96 96 LEU H H 96 8.600 8.600 7.738 0.862 25476 7953 1 12 . 1 1 97 97 GLU N N 97 118.190 118.190 120.034 -1.844 25476 7954 1 12 . 1 1 97 97 GLU HA H 97 3.740 3.740 3.987 -0.247 25476 7955 1 12 . 1 1 97 97 GLU C C 97 177.630 177.630 178.753 -1.123 25476 7956 1 12 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.670 0.770 25476 7957 1 12 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.677 -1.457 25476 7958 1 12 . 1 1 97 97 GLU H H 97 8.540 8.540 8.327 0.213 25476 7959 1 12 . 1 1 98 98 TYR N N 98 119.160 119.160 119.287 -0.127 25476 7960 1 12 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.309 -0.239 25476 7961 1 12 . 1 1 98 98 TYR C C 98 179.010 179.010 177.637 1.373 25476 7962 1 12 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.325 0.795 25476 7963 1 12 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.651 0.139 25476 7964 1 12 . 1 1 98 98 TYR H H 98 8.380 8.380 7.790 0.590 25476 7965 1 12 . 1 1 99 99 THR N N 99 109.220 109.220 113.957 -4.737 25476 7966 1 12 . 1 1 99 99 THR HA H 99 4.310 4.310 4.185 0.125 25476 7967 1 12 . 1 1 99 99 THR C C 99 178.320 178.320 176.898 1.422 25476 7968 1 12 . 1 1 99 99 THR CA C 99 64.890 64.890 66.015 -1.125 25476 7969 1 12 . 1 1 99 99 THR CB C 99 69.810 69.810 69.290 0.520 25476 7970 1 12 . 1 1 99 99 THR H H 99 8.480 8.480 7.800 0.680 25476 7971 1 12 . 1 1 100 100 LEU N N 100 128.250 128.250 121.883 6.367 25476 7972 1 12 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.450 -0.910 25476 7973 1 12 . 1 1 100 100 LEU C C 100 177.870 177.870 178.253 -0.383 25476 7974 1 12 . 1 1 100 100 LEU CA C 100 58.200 58.200 58.047 0.153 25476 7975 1 12 . 1 1 100 100 LEU CB C 100 41.460 41.460 41.060 0.399 25476 7976 1 12 . 1 1 100 100 LEU H H 100 8.200 8.200 8.098 0.102 25476 7977 1 12 . 1 1 101 101 ARG N N 101 118.550 118.550 117.914 0.636 25476 7978 1 12 . 1 1 101 101 ARG HA H 101 3.610 3.610 4.177 -0.567 25476 7979 1 12 . 1 1 101 101 ARG C C 101 178.930 178.930 178.498 0.432 25476 7980 1 12 . 1 1 101 101 ARG CA C 101 60.460 60.460 58.933 1.527 25476 7981 1 12 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.553 -0.263 25476 7982 1 12 . 1 1 101 101 ARG H H 101 8.440 8.440 7.730 0.710 25476 7983 1 12 . 1 1 102 102 GLU N N 102 119.760 119.760 119.892 -0.132 25476 7984 1 12 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.061 -0.141 25476 7985 1 12 . 1 1 102 102 GLU C C 102 178.360 178.360 178.590 -0.230 25476 7986 1 12 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.584 0.366 25476 7987 1 12 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.162 0.858 25476 7988 1 12 . 1 1 102 102 GLU H H 102 7.970 7.970 7.755 0.215 25476 7989 1 12 . 1 1 103 103 PHE N N 103 119.570 119.570 120.590 -1.020 25476 7990 1 12 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.189 -0.269 25476 7991 1 12 . 1 1 103 103 PHE C C 103 175.350 175.350 177.385 -2.035 25476 7992 1 12 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.675 -0.875 25476 7993 1 12 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.349 0.191 25476 7994 1 12 . 1 1 103 103 PHE H H 103 7.630 7.630 8.427 -0.797 25476 7995 1 12 . 1 1 104 104 HIS N N 104 119.160 119.160 119.416 -0.256 25476 7996 1 12 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.286 -1.256 25476 7997 1 12 . 1 1 104 104 HIS C C 104 175.460 175.460 177.198 -1.738 25476 7998 1 12 . 1 1 104 104 HIS CA C 104 60.710 60.710 58.793 1.917 25476 7999 1 12 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.850 1.880 25476 8000 1 12 . 1 1 104 104 HIS H H 104 8.800 8.800 7.947 0.853 25476 8001 1 12 . 1 1 105 105 GLU N N 105 117.900 117.900 118.927 -1.027 25476 8002 1 12 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.623 -0.183 25476 8003 1 12 . 1 1 105 105 GLU C C 105 177.990 177.990 178.486 -0.496 25476 8004 1 12 . 1 1 105 105 GLU CA C 105 59.610 59.610 58.948 0.662 25476 8005 1 12 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.733 -0.433 25476 8006 1 12 . 1 1 105 105 GLU H H 105 7.890 7.890 7.564 0.326 25476 8007 1 12 . 1 1 106 106 LYS N N 106 117.260 117.260 118.564 -1.304 25476 8008 1 12 . 1 1 106 106 LYS HA H 106 3.970 3.970 3.941 0.029 25476 8009 1 12 . 1 1 106 106 LYS C C 106 179.570 179.570 178.947 0.623 25476 8010 1 12 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.909 -0.199 25476 8011 1 12 . 1 1 106 106 LYS CB C 106 32.780 32.780 31.953 0.827 25476 8012 1 12 . 1 1 106 106 LYS H H 106 6.870 6.870 8.188 -1.318 25476 8013 1 12 . 1 1 107 107 LEU N N 107 123.180 123.180 120.320 2.860 25476 8014 1 12 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.925 -0.475 25476 8015 1 12 . 1 1 107 107 LEU C C 107 177.170 177.170 178.369 -1.199 25476 8016 1 12 . 1 1 107 107 LEU CA C 107 57.340 57.340 57.611 -0.271 25476 8017 1 12 . 1 1 107 107 LEU CB C 107 41.240 41.240 41.790 -0.550 25476 8018 1 12 . 1 1 107 107 LEU H H 107 8.020 8.020 7.438 0.582 25476 8019 1 12 . 1 1 108 108 ARG N N 108 120.070 120.070 119.039 1.031 25476 8020 1 12 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.759 -0.349 25476 8021 1 12 . 1 1 108 108 ARG C C 108 178.460 178.460 178.380 0.080 25476 8022 1 12 . 1 1 108 108 ARG CA C 108 59.640 59.640 60.059 -0.420 25476 8023 1 12 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.547 -0.337 25476 8024 1 12 . 1 1 108 108 ARG H H 108 8.680 8.680 7.449 1.231 25476 8025 1 12 . 1 1 109 109 ASP N N 109 119.480 119.480 118.656 0.824 25476 8026 1 12 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.370 -0.060 25476 8027 1 12 . 1 1 109 109 ASP C C 109 178.900 178.900 178.433 0.467 25476 8028 1 12 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.233 -0.093 25476 8029 1 12 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.687 -0.817 25476 8030 1 12 . 1 1 109 109 ASP H H 109 7.890 7.890 7.628 0.262 25476 8031 1 12 . 1 1 110 110 LEU N N 110 122.740 122.740 120.918 1.822 25476 8032 1 12 . 1 1 110 110 LEU HA H 110 4.100 4.100 4.004 0.096 25476 8033 1 12 . 1 1 110 110 LEU C C 110 179.830 179.830 178.295 1.535 25476 8034 1 12 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.799 -0.119 25476 8035 1 12 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.933 -0.643 25476 8036 1 12 . 1 1 110 110 LEU H H 110 7.650 7.650 7.205 0.445 25476 8037 1 12 . 1 1 111 111 LEU N N 111 122.170 122.170 119.361 2.809 25476 8038 1 12 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.847 -0.017 25476 8039 1 12 . 1 1 111 111 LEU C C 111 179.990 179.990 179.100 0.890 25476 8040 1 12 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.237 0.373 25476 8041 1 12 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.386 -2.006 25476 8042 1 12 . 1 1 111 111 LEU H H 111 8.320 8.320 7.887 0.433 25476 8043 1 12 . 1 1 112 112 ILE N N 112 122.490 122.490 118.386 4.104 25476 8044 1 12 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.648 0.322 25476 8045 1 12 . 1 1 112 112 ILE C C 112 180.930 180.930 178.225 2.705 25476 8046 1 12 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.189 -0.529 25476 8047 1 12 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.652 -0.332 25476 8048 1 12 . 1 1 112 112 ILE H H 112 8.790 8.790 7.981 0.809 25476 8049 1 12 . 1 1 113 113 SER N N 113 119.860 119.860 114.764 5.096 25476 8050 1 12 . 1 1 113 113 SER HA H 113 4.400 4.400 4.241 0.159 25476 8051 1 12 . 1 1 113 113 SER C C 113 174.520 174.520 175.616 -1.096 25476 8052 1 12 . 1 1 113 113 SER CA C 113 61.390 61.390 60.861 0.529 25476 8053 1 12 . 1 1 113 113 SER CB C 113 62.630 62.630 63.289 -0.659 25476 8054 1 12 . 1 1 113 113 SER H H 113 7.720 7.720 7.634 0.086 25476 8055 1 12 . 1 1 114 114 MET N N 114 121.890 121.890 118.698 3.192 25476 8056 1 12 . 1 1 114 114 MET HA H 114 4.530 4.530 4.522 0.008 25476 8057 1 12 . 1 1 114 114 MET C C 114 173.850 173.850 175.189 -1.339 25476 8058 1 12 . 1 1 114 114 MET CA C 114 55.330 55.330 55.378 -0.048 25476 8059 1 12 . 1 1 114 114 MET CB C 114 34.040 34.040 33.586 0.455 25476 8060 1 12 . 1 1 114 114 MET H H 114 7.480 7.480 7.184 0.296 25476 8061 1 12 . 1 1 115 115 GLU N N 115 114.160 114.160 115.810 -1.650 25476 8062 1 12 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.955 -0.055 25476 8063 1 12 . 1 1 115 115 GLU C C 115 174.880 174.880 175.447 -0.567 25476 8064 1 12 . 1 1 115 115 GLU CA C 115 57.270 57.270 56.889 0.381 25476 8065 1 12 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.190 -0.680 25476 8066 1 12 . 1 1 115 115 GLU H H 115 8.110 8.110 7.726 0.384 25476 8067 1 12 . 1 1 116 116 LEU N N 116 119.870 119.870 120.466 -0.596 25476 8068 1 12 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.529 0.131 25476 8069 1 12 . 1 1 116 116 LEU C C 116 174.910 174.910 176.118 -1.208 25476 8070 1 12 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.421 -0.321 25476 8071 1 12 . 1 1 116 116 LEU CB C 116 45.570 45.570 43.017 2.553 25476 8072 1 12 . 1 1 116 116 LEU H H 116 7.970 7.970 7.969 0.001 25476 8073 1 12 . 1 1 117 117 ALA N N 117 123.730 123.730 127.691 -3.961 25476 8074 1 12 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.545 -0.095 25476 8075 1 12 . 1 1 117 117 ALA C C 117 174.870 174.870 175.523 -0.653 25476 8076 1 12 . 1 1 117 117 ALA CA C 117 50.870 50.870 51.402 -0.532 25476 8077 1 12 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.312 0.388 25476 8078 1 12 . 1 1 117 117 ALA H H 117 7.530 7.530 8.652 -1.122 25476 8079 1 12 . 1 1 118 118 LEU N N 118 121.610 121.610 121.733 -0.123 25476 8080 1 12 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.362 0.118 25476 8081 1 12 . 1 1 118 118 LEU C C 118 175.560 175.560 175.726 -0.166 25476 8082 1 12 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.036 -0.196 25476 8083 1 12 . 1 1 118 118 LEU CB C 118 43.490 43.490 45.065 -1.575 25476 8084 1 12 . 1 1 118 118 LEU H H 118 8.250 8.250 8.343 -0.093 25476 8085 1 12 . 1 1 119 119 GLU N N 119 127.300 127.300 123.596 3.704 25476 8086 1 12 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.873 0.247 25476 8087 1 12 . 1 1 119 119 GLU C C 119 171.510 171.510 174.217 -2.707 25476 8088 1 12 . 1 1 119 119 GLU CA C 119 52.970 52.970 52.878 0.092 25476 8089 1 12 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.689 0.181 25476 8090 1 12 . 1 1 119 119 GLU H H 119 8.730 8.730 8.628 0.102 25476 8091 1 12 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.146 0.424 25476 8092 1 12 . 1 1 120 120 PRO C C 120 176.420 176.420 176.633 -0.213 25476 8093 1 12 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.121 -0.361 25476 8094 1 12 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.100 0.290 25476 8095 1 12 . 1 1 121 121 SER N N 121 117.040 117.040 114.444 2.596 25476 8096 1 12 . 1 1 121 121 SER HA H 121 4.060 4.060 4.335 -0.275 25476 8097 1 12 . 1 1 121 121 SER C C 121 175.150 175.150 176.136 -0.986 25476 8098 1 12 . 1 1 121 121 SER CA C 121 59.230 59.230 57.061 2.169 25476 8099 1 12 . 1 1 121 121 SER CB C 121 62.970 62.970 65.031 -2.061 25476 8100 1 12 . 1 1 121 121 SER H H 121 8.690 8.690 8.022 0.668 25476 8101 1 12 . 1 1 122 122 ASP N N 122 124.140 124.140 118.949 5.191 25476 8102 1 12 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.472 -0.102 25476 8103 1 12 . 1 1 122 122 ASP C C 122 176.240 176.240 176.272 -0.032 25476 8104 1 12 . 1 1 122 122 ASP CA C 122 57.100 57.100 55.791 1.310 25476 8105 1 12 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.618 -0.428 25476 8106 1 12 . 1 1 122 122 ASP H H 122 8.830 8.830 8.735 0.095 25476 8107 1 12 . 1 1 123 123 ASP N N 123 115.720 115.720 116.588 -0.868 25476 8108 1 12 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.581 0.039 25476 8109 1 12 . 1 1 123 123 ASP C C 123 174.850 174.850 174.881 -0.031 25476 8110 1 12 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.344 -0.554 25476 8111 1 12 . 1 1 123 123 ASP CB C 123 40.270 40.270 39.330 0.940 25476 8112 1 12 . 1 1 123 123 ASP H H 123 8.210 8.210 8.332 -0.122 25476 8113 1 12 . 1 1 124 124 PHE N N 124 122.440 122.440 121.816 0.624 25476 8114 1 12 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.485 0.545 25476 8115 1 12 . 1 1 124 124 PHE C C 124 174.040 174.040 175.522 -1.482 25476 8116 1 12 . 1 1 124 124 PHE CA C 124 56.040 56.040 58.847 -2.807 25476 8117 1 12 . 1 1 124 124 PHE CB C 124 42.170 42.170 40.430 1.740 25476 8118 1 12 . 1 1 124 124 PHE H H 124 8.060 8.060 7.464 0.596 25476 8119 1 12 . 1 1 125 125 ASN N N 125 126.850 126.850 122.160 4.690 25476 8120 1 12 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.135 0.605 25476 8121 1 12 . 1 1 125 125 ASN C C 125 175.070 175.070 173.560 1.510 25476 8122 1 12 . 1 1 125 125 ASN CA C 125 53.430 53.430 53.877 -0.447 25476 8123 1 12 . 1 1 125 125 ASN CB C 125 39.730 39.730 38.109 1.621 25476 8124 1 12 . 1 1 125 125 ASN H H 125 7.700 7.700 7.748 -0.048 25476 8125 1 12 . 1 1 126 126 ASP N N 126 120.330 120.330 119.081 1.249 25476 8126 1 12 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.665 -0.535 25476 8127 1 12 . 1 1 126 126 ASP C C 126 176.280 176.280 175.016 1.264 25476 8128 1 12 . 1 1 126 126 ASP CA C 126 56.030 56.030 55.143 0.887 25476 8129 1 12 . 1 1 126 126 ASP CB C 126 39.100 39.100 42.242 -3.142 25476 8130 1 12 . 1 1 126 126 ASP H H 126 7.300 7.300 8.598 -1.298 25476 8131 1 12 . 1 1 127 127 GLU N N 127 127.840 127.840 119.306 8.534 25476 8132 1 12 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.467 -0.107 25476 8133 1 12 . 1 1 127 127 GLU CA C 127 55.470 55.470 55.142 0.329 25476 8134 1 12 . 1 1 127 127 GLU H H 127 8.320 8.320 8.298 0.022 25476 8135 1 12 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.496 0.174 25476 8136 1 12 . 1 1 128 128 PRO C C 128 176.010 176.010 176.743 -0.733 25476 8137 1 12 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.418 1.212 25476 8138 1 12 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.466 -0.526 25476 8139 1 12 . 1 1 129 129 VAL N N 129 122.940 122.940 117.422 5.518 25476 8140 1 12 . 1 1 129 129 VAL HA H 129 3.990 3.990 4.034 -0.044 25476 8141 1 12 . 1 1 129 129 VAL C C 129 173.650 173.650 175.713 -2.063 25476 8142 1 12 . 1 1 129 129 VAL CA C 129 60.980 60.980 61.693 -0.713 25476 8143 1 12 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.423 -0.293 25476 8144 1 12 . 1 1 129 129 VAL H H 129 7.990 7.990 7.989 0.001 25476 8145 1 12 . 1 1 130 130 LYS N N 130 124.620 124.620 122.194 2.426 25476 8146 1 12 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.220 0.290 25476 8147 1 12 . 1 1 130 130 LYS C C 130 174.900 174.900 177.237 -2.337 25476 8148 1 12 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.054 -2.904 25476 8149 1 12 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.753 2.757 25476 8150 1 12 . 1 1 130 130 LYS H H 130 8.240 8.240 8.320 -0.080 25476 8151 1 12 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.460 -0.660 25476 8152 1 12 . 1 1 131 131 LEU C C 131 178.400 178.400 177.595 0.805 25476 8153 1 12 . 1 1 131 131 LEU CA C 131 56.050 56.050 57.004 -0.954 25476 8154 1 12 . 1 1 131 131 LEU CB C 131 40.800 40.800 41.767 -0.967 25476 8155 1 12 . 1 1 132 132 SER N N 132 115.550 115.550 111.856 3.694 25476 8156 1 12 . 1 1 132 132 SER HA H 132 4.610 4.610 4.475 0.135 25476 8157 1 12 . 1 1 132 132 SER C C 132 172.970 172.970 174.232 -1.262 25476 8158 1 12 . 1 1 132 132 SER CA C 132 58.620 58.620 57.294 1.326 25476 8159 1 12 . 1 1 132 132 SER CB C 132 63.310 63.310 62.528 0.782 25476 8160 1 12 . 1 1 132 132 SER H H 132 9.070 9.070 7.847 1.223 25476 8161 1 13 . 1 1 2 2 THR N N 2 118.280 118.280 113.101 5.179 25476 8162 1 13 . 1 1 2 2 THR HA H 2 4.550 4.550 4.822 -0.272 25476 8163 1 13 . 1 1 2 2 THR C C 2 174.150 174.150 174.878 -0.728 25476 8164 1 13 . 1 1 2 2 THR CA C 2 61.600 61.600 61.238 0.362 25476 8165 1 13 . 1 1 2 2 THR CB C 2 69.970 69.970 69.954 0.016 25476 8166 1 13 . 1 1 2 2 THR H H 2 8.470 8.470 8.018 0.452 25476 8167 1 13 . 1 1 3 3 LEU N N 3 125.130 125.130 121.525 3.605 25476 8168 1 13 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.479 0.181 25476 8169 1 13 . 1 1 3 3 LEU C C 3 176.690 176.690 177.876 -1.186 25476 8170 1 13 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.590 -0.050 25476 8171 1 13 . 1 1 3 3 LEU CB C 3 40.050 40.050 40.940 -0.889 25476 8172 1 13 . 1 1 3 3 LEU H H 3 8.580 8.580 8.103 0.477 25476 8173 1 13 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.369 -0.009 25476 8174 1 13 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.543 0.927 25476 8175 1 13 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.781 0.109 25476 8176 1 13 . 1 1 5 5 SER HA H 5 4.580 4.580 4.413 0.167 25476 8177 1 13 . 1 1 5 5 SER C C 5 175.510 175.510 175.649 -0.139 25476 8178 1 13 . 1 1 5 5 SER CA C 5 59.410 59.410 58.580 0.830 25476 8179 1 13 . 1 1 5 5 SER CB C 5 63.110 63.110 63.242 -0.132 25476 8180 1 13 . 1 1 6 6 GLY N N 6 112.010 112.010 109.080 2.930 25476 8181 1 13 . 1 1 6 6 GLY C C 6 173.300 173.300 174.521 -1.221 25476 8182 1 13 . 1 1 6 6 GLY CA C 6 44.530 44.530 44.992 -0.462 25476 8183 1 13 . 1 1 6 6 GLY H H 6 8.620 8.620 7.655 0.965 25476 8184 1 13 . 1 1 7 7 HIS N N 7 119.440 119.440 122.682 -3.242 25476 8185 1 13 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.854 -0.174 25476 8186 1 13 . 1 1 7 7 HIS CA C 7 56.340 56.340 55.147 1.193 25476 8187 1 13 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.515 0.515 25476 8188 1 13 . 1 1 7 7 HIS H H 7 7.170 7.170 7.824 -0.654 25476 8189 1 13 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.550 0.240 25476 8190 1 13 . 1 1 8 8 PRO C C 8 178.140 178.140 176.893 1.247 25476 8191 1 13 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.303 -0.453 25476 8192 1 13 . 1 1 8 8 PRO CB C 8 31.980 31.980 33.059 -1.079 25476 8193 1 13 . 1 1 9 9 LYS N N 9 127.570 127.570 126.383 1.187 25476 8194 1 13 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.192 -0.022 25476 8195 1 13 . 1 1 9 9 LYS C C 9 178.050 178.050 178.916 -0.866 25476 8196 1 13 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.718 0.112 25476 8197 1 13 . 1 1 9 9 LYS H H 9 9.000 9.000 8.718 0.282 25476 8198 1 13 . 1 1 10 10 SER N N 10 113.610 113.610 115.094 -1.484 25476 8199 1 13 . 1 1 10 10 SER HA H 10 4.120 4.120 4.323 -0.203 25476 8200 1 13 . 1 1 10 10 SER C C 10 176.750 176.750 176.463 0.287 25476 8201 1 13 . 1 1 10 10 SER CA C 10 61.050 61.050 61.294 -0.244 25476 8202 1 13 . 1 1 10 10 SER H H 10 9.170 9.170 8.304 0.866 25476 8203 1 13 . 1 1 11 11 ARG N N 11 122.220 122.220 120.192 2.028 25476 8204 1 13 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.126 0.024 25476 8205 1 13 . 1 1 11 11 ARG C C 11 177.890 177.890 178.645 -0.755 25476 8206 1 13 . 1 1 11 11 ARG CA C 11 58.280 58.280 59.027 -0.747 25476 8207 1 13 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.748 0.262 25476 8208 1 13 . 1 1 11 11 ARG H H 11 7.100 7.100 8.475 -1.375 25476 8209 1 13 . 1 1 12 12 LEU N N 12 121.360 121.360 120.346 1.014 25476 8210 1 13 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.818 -0.248 25476 8211 1 13 . 1 1 12 12 LEU C C 12 177.890 177.890 178.669 -0.779 25476 8212 1 13 . 1 1 12 12 LEU CA C 12 56.000 56.000 58.128 -2.128 25476 8213 1 13 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.932 -2.492 25476 8214 1 13 . 1 1 12 12 LEU H H 12 7.220 7.220 7.399 -0.179 25476 8215 1 13 . 1 1 13 13 ILE N N 13 118.920 118.920 120.156 -1.236 25476 8216 1 13 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.757 0.013 25476 8217 1 13 . 1 1 13 13 ILE C C 13 179.060 179.060 178.759 0.301 25476 8218 1 13 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.869 0.261 25476 8219 1 13 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.905 -0.475 25476 8220 1 13 . 1 1 13 13 ILE H H 13 8.590 8.590 8.216 0.374 25476 8221 1 13 . 1 1 14 14 LYS N N 14 121.950 121.950 118.882 3.068 25476 8222 1 13 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.162 -0.032 25476 8223 1 13 . 1 1 14 14 LYS C C 14 179.810 179.810 179.058 0.752 25476 8224 1 13 . 1 1 14 14 LYS CA C 14 60.060 60.060 59.022 1.038 25476 8225 1 13 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.060 0.020 25476 8226 1 13 . 1 1 14 14 LYS H H 14 7.730 7.730 7.707 0.023 25476 8227 1 13 . 1 1 15 15 LYS N N 15 119.750 119.750 120.094 -0.344 25476 8228 1 13 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.979 0.141 25476 8229 1 13 . 1 1 15 15 LYS C C 15 179.700 179.700 179.526 0.174 25476 8230 1 13 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.332 -0.602 25476 8231 1 13 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.231 -0.281 25476 8232 1 13 . 1 1 15 15 LYS H H 15 7.800 7.800 7.409 0.391 25476 8233 1 13 . 1 1 16 16 PHE N N 16 117.660 117.660 118.315 -0.655 25476 8234 1 13 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.415 0.345 25476 8235 1 13 . 1 1 16 16 PHE C C 16 180.960 180.960 178.336 2.624 25476 8236 1 13 . 1 1 16 16 PHE CA C 16 56.640 56.640 59.961 -3.321 25476 8237 1 13 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.304 0.496 25476 8238 1 13 . 1 1 16 16 PHE H H 16 9.130 9.130 8.507 0.623 25476 8239 1 13 . 1 1 17 17 THR N N 17 120.130 120.130 116.110 4.020 25476 8240 1 13 . 1 1 17 17 THR HA H 17 4.370 4.370 4.164 0.206 25476 8241 1 13 . 1 1 17 17 THR C C 17 175.550 175.550 176.032 -0.482 25476 8242 1 13 . 1 1 17 17 THR CA C 17 66.840 66.840 65.800 1.040 25476 8243 1 13 . 1 1 17 17 THR CB C 17 68.920 68.920 68.659 0.261 25476 8244 1 13 . 1 1 17 17 THR H H 17 8.940 8.940 7.789 1.151 25476 8245 1 13 . 1 1 18 18 ALA N N 18 122.170 122.170 122.614 -0.444 25476 8246 1 13 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.281 0.099 25476 8247 1 13 . 1 1 18 18 ALA C C 18 178.110 178.110 177.587 0.523 25476 8248 1 13 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.312 0.077 25476 8249 1 13 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.766 -0.466 25476 8250 1 13 . 1 1 18 18 ALA H H 18 7.310 7.310 7.556 -0.246 25476 8251 1 13 . 1 1 19 19 LEU N N 19 116.080 116.080 116.478 -0.398 25476 8252 1 13 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.558 -0.188 25476 8253 1 13 . 1 1 19 19 LEU C C 19 176.620 176.620 176.322 0.298 25476 8254 1 13 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.222 2.408 25476 8255 1 13 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.350 0.070 25476 8256 1 13 . 1 1 19 19 LEU H H 19 7.580 7.580 7.556 0.024 25476 8257 1 13 . 1 1 20 20 GLY N N 20 103.280 103.280 106.471 -3.191 25476 8258 1 13 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.780 -0.720 25476 8259 1 13 . 1 1 20 20 GLY H H 20 7.650 7.650 7.354 0.296 25476 8260 1 13 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.333 0.537 25476 8261 1 13 . 1 1 21 21 PRO C C 21 174.850 174.850 176.308 -1.458 25476 8262 1 13 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.346 0.794 25476 8263 1 13 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.326 -3.426 25476 8264 1 13 . 1 1 22 22 TYR N N 22 120.690 120.690 117.240 3.450 25476 8265 1 13 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.342 0.838 25476 8266 1 13 . 1 1 22 22 TYR C C 22 176.340 176.340 176.761 -0.421 25476 8267 1 13 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.433 -1.653 25476 8268 1 13 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.162 3.338 25476 8269 1 13 . 1 1 22 22 TYR H H 22 7.680 7.680 8.203 -0.523 25476 8270 1 13 . 1 1 23 23 ILE N N 23 119.130 119.130 123.543 -4.413 25476 8271 1 13 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.093 0.027 25476 8272 1 13 . 1 1 23 23 ILE C C 23 174.210 174.210 176.328 -2.118 25476 8273 1 13 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.188 0.642 25476 8274 1 13 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.259 0.241 25476 8275 1 13 . 1 1 23 23 ILE H H 23 8.860 8.860 8.634 0.226 25476 8276 1 13 . 1 1 24 24 ARG N N 24 126.540 126.540 127.409 -0.869 25476 8277 1 13 . 1 1 24 24 ARG C C 24 177.290 177.290 176.651 0.639 25476 8278 1 13 . 1 1 24 24 ARG CA C 24 52.090 52.090 56.144 -4.054 25476 8279 1 13 . 1 1 24 24 ARG H H 24 8.100 8.100 8.794 -0.694 25476 8280 1 13 . 1 1 25 25 GLU N N 25 126.990 126.990 125.109 1.881 25476 8281 1 13 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.145 -0.045 25476 8282 1 13 . 1 1 25 25 GLU C C 25 176.780 176.780 177.080 -0.300 25476 8283 1 13 . 1 1 25 25 GLU CA C 25 60.860 60.860 58.408 2.452 25476 8284 1 13 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.216 -0.566 25476 8285 1 13 . 1 1 25 25 GLU H H 25 9.400 9.400 8.367 1.033 25476 8286 1 13 . 1 1 26 26 GLY N N 26 109.830 109.830 105.136 4.694 25476 8287 1 13 . 1 1 26 26 GLY C C 26 174.380 174.380 173.777 0.603 25476 8288 1 13 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.369 1.151 25476 8289 1 13 . 1 1 26 26 GLY H H 26 8.070 8.070 7.581 0.489 25476 8290 1 13 . 1 1 27 27 GLN N N 27 117.670 117.670 119.885 -2.215 25476 8291 1 13 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.438 -0.128 25476 8292 1 13 . 1 1 27 27 GLN C C 27 175.350 175.350 176.924 -1.574 25476 8293 1 13 . 1 1 27 27 GLN CA C 27 55.320 55.320 55.655 -0.335 25476 8294 1 13 . 1 1 27 27 GLN CB C 27 29.340 29.340 29.249 0.091 25476 8295 1 13 . 1 1 27 27 GLN H H 27 7.690 7.690 8.743 -1.053 25476 8296 1 13 . 1 1 28 28 CYS N N 28 119.770 119.770 120.330 -0.560 25476 8297 1 13 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.528 0.012 25476 8298 1 13 . 1 1 28 28 CYS C C 28 173.480 173.480 175.680 -2.200 25476 8299 1 13 . 1 1 28 28 CYS CA C 28 58.810 58.810 59.370 -0.560 25476 8300 1 13 . 1 1 28 28 CYS CB C 28 27.070 27.070 28.677 -1.607 25476 8301 1 13 . 1 1 28 28 CYS H H 28 7.510 7.510 7.881 -0.371 25476 8302 1 13 . 1 1 29 29 GLU N N 29 124.370 124.370 121.690 2.680 25476 8303 1 13 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.418 0.122 25476 8304 1 13 . 1 1 29 29 GLU C C 29 174.810 174.810 174.703 0.107 25476 8305 1 13 . 1 1 29 29 GLU CA C 29 55.560 55.560 55.700 -0.140 25476 8306 1 13 . 1 1 29 29 GLU CB C 29 30.030 30.030 28.477 1.554 25476 8307 1 13 . 1 1 29 29 GLU H H 29 7.840 7.840 8.505 -0.665 25476 8308 1 13 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.595 -0.015 25476 8309 1 13 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.637 0.813 25476 8310 1 13 . 1 1 31 31 ASN CB C 31 39.200 39.200 37.803 1.397 25476 8311 1 13 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.510 1.000 25476 8312 1 13 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.308 0.742 25476 8313 1 13 . 1 1 32 32 ARG CB C 32 33.480 33.480 32.950 0.530 25476 8314 1 13 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.784 0.456 25476 8315 1 13 . 1 1 34 34 PHE C C 34 172.210 172.210 174.440 -2.230 25476 8316 1 13 . 1 1 34 34 PHE CA C 34 57.690 57.690 57.260 0.430 25476 8317 1 13 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.312 2.788 25476 8318 1 13 . 1 1 35 35 PHE N N 35 125.800 125.800 121.046 4.754 25476 8319 1 13 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.856 0.314 25476 8320 1 13 . 1 1 35 35 PHE C C 35 173.110 173.110 173.951 -0.841 25476 8321 1 13 . 1 1 35 35 PHE CA C 35 54.860 54.860 57.441 -2.581 25476 8322 1 13 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.586 0.664 25476 8323 1 13 . 1 1 35 35 PHE H H 35 8.660 8.660 8.859 -0.199 25476 8324 1 13 . 1 1 36 36 ASP N N 36 120.960 120.960 124.250 -3.290 25476 8325 1 13 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.920 -0.340 25476 8326 1 13 . 1 1 36 36 ASP CA C 36 54.160 54.160 53.712 0.448 25476 8327 1 13 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.776 -0.746 25476 8328 1 13 . 1 1 36 36 ASP H H 36 9.370 9.370 8.470 0.900 25476 8329 1 13 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.383 -0.393 25476 8330 1 13 . 1 1 37 37 CYS C C 37 173.460 173.460 173.115 0.345 25476 8331 1 13 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.000 0.610 25476 8332 1 13 . 1 1 37 37 CYS CB C 37 27.170 27.170 29.501 -2.331 25476 8333 1 13 . 1 1 38 38 LEU N N 38 131.890 131.890 123.882 8.008 25476 8334 1 13 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.575 -0.365 25476 8335 1 13 . 1 1 38 38 LEU C C 38 175.570 175.570 176.191 -0.621 25476 8336 1 13 . 1 1 38 38 LEU CA C 38 53.530 53.530 53.844 -0.314 25476 8337 1 13 . 1 1 38 38 LEU CB C 38 37.270 37.270 41.767 -4.497 25476 8338 1 13 . 1 1 38 38 LEU H H 38 8.430 8.430 8.086 0.344 25476 8339 1 13 . 1 1 39 39 ALA N N 39 127.100 127.100 129.476 -2.376 25476 8340 1 13 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.423 -0.083 25476 8341 1 13 . 1 1 39 39 ALA C C 39 178.500 178.500 176.501 1.999 25476 8342 1 13 . 1 1 39 39 ALA CA C 39 55.380 55.380 53.296 2.084 25476 8343 1 13 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.226 0.885 25476 8344 1 13 . 1 1 39 39 ALA H H 39 7.960 7.960 8.888 -0.928 25476 8345 1 13 . 1 1 40 40 VAL N N 40 116.260 116.260 115.594 0.666 25476 8346 1 13 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.481 0.139 25476 8347 1 13 . 1 1 40 40 VAL C C 40 173.990 173.990 174.494 -0.504 25476 8348 1 13 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.166 0.774 25476 8349 1 13 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.661 0.819 25476 8350 1 13 . 1 1 40 40 VAL H H 40 8.590 8.590 7.792 0.798 25476 8351 1 13 . 1 1 41 41 CYS HA H 41 3.880 3.880 5.035 -1.155 25476 8352 1 13 . 1 1 41 41 CYS C C 41 174.640 174.640 175.535 -0.895 25476 8353 1 13 . 1 1 41 41 CYS CA C 41 59.280 59.280 58.765 0.515 25476 8354 1 13 . 1 1 41 41 CYS CB C 41 26.700 26.700 28.060 -1.360 25476 8355 1 13 . 1 1 42 42 VAL N N 42 131.320 131.320 126.767 4.553 25476 8356 1 13 . 1 1 42 42 VAL HA H 42 3.480 3.480 4.073 -0.593 25476 8357 1 13 . 1 1 42 42 VAL C C 42 176.270 176.270 175.243 1.027 25476 8358 1 13 . 1 1 42 42 VAL CA C 42 65.390 65.390 63.022 2.368 25476 8359 1 13 . 1 1 42 42 VAL CB C 42 31.840 31.840 32.191 -0.350 25476 8360 1 13 . 1 1 42 42 VAL H H 42 8.610 8.610 8.700 -0.090 25476 8361 1 13 . 1 1 43 43 ASN N N 43 116.070 116.070 119.265 -3.195 25476 8362 1 13 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.567 0.223 25476 8363 1 13 . 1 1 43 43 ASN C C 43 175.160 175.160 173.722 1.438 25476 8364 1 13 . 1 1 43 43 ASN CA C 43 52.690 52.690 53.973 -1.283 25476 8365 1 13 . 1 1 43 43 ASN CB C 43 39.940 39.940 38.579 1.361 25476 8366 1 13 . 1 1 43 43 ASN H H 43 7.280 7.280 7.365 -0.085 25476 8367 1 13 . 1 1 44 44 VAL N N 44 121.350 121.350 122.018 -0.668 25476 8368 1 13 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.112 0.008 25476 8369 1 13 . 1 1 44 44 VAL C C 44 175.460 175.460 176.130 -0.670 25476 8370 1 13 . 1 1 44 44 VAL CA C 44 61.930 61.930 62.656 -0.726 25476 8371 1 13 . 1 1 44 44 VAL CB C 44 31.630 31.630 33.366 -1.736 25476 8372 1 13 . 1 1 44 44 VAL H H 44 8.520 8.520 8.402 0.118 25476 8373 1 13 . 1 1 45 45 LYS N N 45 123.190 123.190 120.287 2.903 25476 8374 1 13 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.269 -0.059 25476 8375 1 13 . 1 1 45 45 LYS CA C 45 59.080 59.080 57.843 1.237 25476 8376 1 13 . 1 1 45 45 LYS CB C 45 30.500 30.500 31.131 -0.631 25476 8377 1 13 . 1 1 45 45 LYS H H 45 8.100 8.100 8.427 -0.327 25476 8378 1 13 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.400 -0.030 25476 8379 1 13 . 1 1 46 46 PRO C C 46 174.380 174.380 175.804 -1.424 25476 8380 1 13 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.481 0.579 25476 8381 1 13 . 1 1 46 46 PRO CB C 46 31.660 31.660 31.968 -0.308 25476 8382 1 13 . 1 1 47 47 ALA N N 47 124.500 124.500 121.600 2.900 25476 8383 1 13 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.247 0.223 25476 8384 1 13 . 1 1 47 47 ALA C C 47 176.130 176.130 177.958 -1.828 25476 8385 1 13 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.607 -0.867 25476 8386 1 13 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.257 -0.957 25476 8387 1 13 . 1 1 47 47 ALA H H 47 8.300 8.300 8.325 -0.025 25476 8388 1 13 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.251 -0.441 25476 8389 1 13 . 1 1 48 48 PRO C C 48 178.270 178.270 177.970 0.300 25476 8390 1 13 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.666 1.484 25476 8391 1 13 . 1 1 48 48 PRO CB C 48 31.990 31.990 31.977 0.013 25476 8392 1 13 . 1 1 49 49 GLU N N 49 116.300 116.300 117.837 -1.537 25476 8393 1 13 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.046 0.244 25476 8394 1 13 . 1 1 49 49 GLU C C 49 176.550 176.550 177.183 -0.633 25476 8395 1 13 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.733 -0.613 25476 8396 1 13 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.174 0.116 25476 8397 1 13 . 1 1 49 49 GLU H H 49 9.390 9.390 8.840 0.550 25476 8398 1 13 . 1 1 50 50 LYS N N 50 120.030 120.030 117.890 2.140 25476 8399 1 13 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.305 0.155 25476 8400 1 13 . 1 1 50 50 LYS C C 50 175.070 175.070 176.745 -1.675 25476 8401 1 13 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.395 -0.726 25476 8402 1 13 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.297 0.873 25476 8403 1 13 . 1 1 50 50 LYS H H 50 8.350 8.350 7.225 1.125 25476 8404 1 13 . 1 1 51 51 ARG N N 51 119.720 119.720 121.324 -1.604 25476 8405 1 13 . 1 1 51 51 ARG HA H 51 4.300 4.300 3.896 0.404 25476 8406 1 13 . 1 1 51 51 ARG C C 51 174.530 174.530 175.102 -0.572 25476 8407 1 13 . 1 1 51 51 ARG CA C 51 56.690 56.690 57.332 -0.642 25476 8408 1 13 . 1 1 51 51 ARG CB C 51 32.000 32.000 29.828 2.172 25476 8409 1 13 . 1 1 51 51 ARG H H 51 7.220 7.220 7.428 -0.208 25476 8410 1 13 . 1 1 52 52 GLU N N 52 119.700 119.700 124.436 -4.736 25476 8411 1 13 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.008 0.682 25476 8412 1 13 . 1 1 52 52 GLU C C 52 175.260 175.260 174.315 0.945 25476 8413 1 13 . 1 1 52 52 GLU CA C 52 54.730 54.730 55.016 -0.285 25476 8414 1 13 . 1 1 52 52 GLU H H 52 8.690 8.690 8.228 0.462 25476 8415 1 13 . 1 1 53 53 PHE N N 53 116.950 116.950 120.689 -3.739 25476 8416 1 13 . 1 1 53 53 PHE HA H 53 5.160 5.160 5.008 0.152 25476 8417 1 13 . 1 1 53 53 PHE C C 53 174.970 174.970 175.233 -0.263 25476 8418 1 13 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.074 1.886 25476 8419 1 13 . 1 1 53 53 PHE CB C 53 44.210 44.210 41.415 2.795 25476 8420 1 13 . 1 1 53 53 PHE H H 53 8.590 8.590 7.608 0.982 25476 8421 1 13 . 1 1 54 54 TRP N N 54 123.100 123.100 120.391 2.709 25476 8422 1 13 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.746 1.154 25476 8423 1 13 . 1 1 54 54 TRP C C 54 177.820 177.820 176.127 1.693 25476 8424 1 13 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.524 -1.284 25476 8425 1 13 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.805 1.065 25476 8426 1 13 . 1 1 54 54 TRP H H 54 9.520 9.520 9.042 0.478 25476 8427 1 13 . 1 1 55 55 GLY N N 55 110.840 110.840 108.825 2.015 25476 8428 1 13 . 1 1 55 55 GLY CA C 55 47.240 47.240 44.071 3.169 25476 8429 1 13 . 1 1 55 55 GLY H H 55 9.550 9.550 8.164 1.386 25476 8430 1 13 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.922 0.288 25476 8431 1 13 . 1 1 57 57 TRP CA C 57 57.700 57.700 57.454 0.246 25476 8432 1 13 . 1 1 58 58 MET N N 58 122.630 122.630 123.058 -0.428 25476 8433 1 13 . 1 1 58 58 MET HA H 58 4.370 4.370 4.730 -0.360 25476 8434 1 13 . 1 1 58 58 MET CA C 58 55.230 55.230 55.360 -0.130 25476 8435 1 13 . 1 1 58 58 MET CB C 58 35.910 35.910 33.511 2.399 25476 8436 1 13 . 1 1 58 58 MET H H 58 9.680 9.680 8.030 1.650 25476 8437 1 13 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.501 0.929 25476 8438 1 13 . 1 1 59 59 GLU C C 59 175.570 175.570 175.934 -0.364 25476 8439 1 13 . 1 1 59 59 GLU CA C 59 54.260 54.260 55.484 -1.224 25476 8440 1 13 . 1 1 60 60 LEU N N 60 126.920 126.920 120.347 6.573 25476 8441 1 13 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.700 1.360 25476 8442 1 13 . 1 1 60 60 LEU C C 60 176.470 176.470 175.188 1.282 25476 8443 1 13 . 1 1 60 60 LEU CA C 60 52.610 52.610 52.900 -0.290 25476 8444 1 13 . 1 1 60 60 LEU CB C 60 47.480 47.480 44.941 2.539 25476 8445 1 13 . 1 1 60 60 LEU H H 60 9.610 9.610 8.301 1.309 25476 8446 1 13 . 1 1 61 61 GLU N N 61 123.560 123.560 120.376 3.184 25476 8447 1 13 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.409 0.771 25476 8448 1 13 . 1 1 61 61 GLU C C 61 174.930 174.930 175.554 -0.624 25476 8449 1 13 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.828 0.222 25476 8450 1 13 . 1 1 61 61 GLU CB C 61 32.200 32.200 31.932 0.268 25476 8451 1 13 . 1 1 61 61 GLU H H 61 9.070 9.070 8.353 0.717 25476 8452 1 13 . 1 1 62 62 ALA N N 62 129.830 129.830 129.803 0.027 25476 8453 1 13 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.216 -0.096 25476 8454 1 13 . 1 1 62 62 ALA C C 62 175.760 175.760 176.407 -0.647 25476 8455 1 13 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.231 0.449 25476 8456 1 13 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.795 2.535 25476 8457 1 13 . 1 1 62 62 ALA H H 62 9.030 9.030 8.436 0.594 25476 8458 1 13 . 1 1 63 63 GLN N N 63 122.550 122.550 123.542 -0.992 25476 8459 1 13 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.262 0.488 25476 8460 1 13 . 1 1 63 63 GLN C C 63 175.470 175.470 177.285 -1.815 25476 8461 1 13 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.900 -0.960 25476 8462 1 13 . 1 1 63 63 GLN CB C 63 29.650 29.650 30.488 -0.838 25476 8463 1 13 . 1 1 63 63 GLN H H 63 8.170 8.170 7.469 0.701 25476 8464 1 13 . 1 1 64 64 GLU N N 64 120.760 120.760 119.801 0.959 25476 8465 1 13 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.006 -0.456 25476 8466 1 13 . 1 1 64 64 GLU C C 64 176.740 176.740 176.883 -0.143 25476 8467 1 13 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.475 1.865 25476 8468 1 13 . 1 1 64 64 GLU CB C 64 29.620 29.620 30.037 -0.417 25476 8469 1 13 . 1 1 64 64 GLU H H 64 8.730 8.730 8.581 0.149 25476 8470 1 13 . 1 1 65 65 LYS N N 65 112.820 112.820 116.417 -3.597 25476 8471 1 13 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.427 0.203 25476 8472 1 13 . 1 1 65 65 LYS C C 65 175.960 175.960 174.865 1.095 25476 8473 1 13 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.191 -0.401 25476 8474 1 13 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.491 0.809 25476 8475 1 13 . 1 1 65 65 LYS H H 65 8.750 8.750 8.078 0.672 25476 8476 1 13 . 1 1 66 66 ARG N N 66 115.100 115.100 117.803 -2.703 25476 8477 1 13 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.953 0.347 25476 8478 1 13 . 1 1 66 66 ARG C C 66 172.980 172.980 174.208 -1.228 25476 8479 1 13 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.089 -1.559 25476 8480 1 13 . 1 1 66 66 ARG CB C 66 33.000 33.000 33.638 -0.638 25476 8481 1 13 . 1 1 66 66 ARG H H 66 7.520 7.520 7.725 -0.205 25476 8482 1 13 . 1 1 67 67 PHE N N 67 119.960 119.960 117.918 2.042 25476 8483 1 13 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.672 1.068 25476 8484 1 13 . 1 1 67 67 PHE C C 67 176.040 176.040 173.997 2.043 25476 8485 1 13 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.709 -1.589 25476 8486 1 13 . 1 1 67 67 PHE CB C 67 41.950 41.950 43.506 -1.556 25476 8487 1 13 . 1 1 67 67 PHE H H 67 9.220 9.220 8.392 0.828 25476 8488 1 13 . 1 1 68 68 THR N N 68 111.030 111.030 118.070 -7.040 25476 8489 1 13 . 1 1 68 68 THR HA H 68 6.310 6.310 4.480 1.830 25476 8490 1 13 . 1 1 68 68 THR C C 68 175.340 175.340 172.608 2.732 25476 8491 1 13 . 1 1 68 68 THR CA C 68 57.990 57.990 59.931 -1.941 25476 8492 1 13 . 1 1 68 68 THR CB C 68 70.260 70.260 70.523 -0.263 25476 8493 1 13 . 1 1 68 68 THR H H 68 9.200 9.200 8.072 1.128 25476 8494 1 13 . 1 1 69 69 TYR N N 69 115.700 115.700 119.672 -3.972 25476 8495 1 13 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.514 1.576 25476 8496 1 13 . 1 1 69 69 TYR C C 69 173.310 173.310 173.239 0.071 25476 8497 1 13 . 1 1 69 69 TYR CA C 69 55.500 55.500 57.422 -1.921 25476 8498 1 13 . 1 1 69 69 TYR CB C 69 44.600 44.600 42.103 2.497 25476 8499 1 13 . 1 1 69 69 TYR H H 69 8.190 8.190 8.434 -0.244 25476 8500 1 13 . 1 1 70 70 ARG N N 70 115.070 115.070 118.963 -3.893 25476 8501 1 13 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.246 1.264 25476 8502 1 13 . 1 1 70 70 ARG C C 70 175.220 175.220 174.293 0.927 25476 8503 1 13 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.342 0.808 25476 8504 1 13 . 1 1 70 70 ARG CB C 70 32.780 32.780 33.930 -1.150 25476 8505 1 13 . 1 1 70 70 ARG H H 70 8.160 8.160 8.394 -0.234 25476 8506 1 13 . 1 1 71 71 TYR N N 71 118.750 118.750 121.944 -3.194 25476 8507 1 13 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.795 -1.675 25476 8508 1 13 . 1 1 71 71 TYR H H 71 9.220 9.220 8.121 1.099 25476 8509 1 13 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.928 -0.508 25476 8510 1 13 . 1 1 72 72 GLN CA C 72 54.850 54.850 55.181 -0.331 25476 8511 1 13 . 1 1 72 72 GLN CB C 72 30.990 30.990 33.174 -2.184 25476 8512 1 13 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.940 0.890 25476 8513 1 13 . 1 1 73 73 PHE C C 73 177.280 177.280 176.045 1.235 25476 8514 1 13 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.196 -3.516 25476 8515 1 13 . 1 1 73 73 PHE CB C 73 39.800 39.800 41.874 -2.074 25476 8516 1 13 . 1 1 74 74 GLY N N 74 108.520 108.520 109.554 -1.034 25476 8517 1 13 . 1 1 74 74 GLY CA C 74 47.480 47.480 44.669 2.811 25476 8518 1 13 . 1 1 74 74 GLY H H 74 9.350 9.350 8.187 1.163 25476 8519 1 13 . 1 1 75 75 LEU HA H 75 5.370 5.370 4.962 0.408 25476 8520 1 13 . 1 1 75 75 LEU C C 75 174.270 174.270 174.715 -0.445 25476 8521 1 13 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.321 -0.531 25476 8522 1 13 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.118 0.742 25476 8523 1 13 . 1 1 76 76 PHE N N 76 135.230 135.230 126.362 8.868 25476 8524 1 13 . 1 1 76 76 PHE HA H 76 4.340 4.340 4.878 -0.538 25476 8525 1 13 . 1 1 76 76 PHE C C 76 174.690 174.690 173.655 1.035 25476 8526 1 13 . 1 1 76 76 PHE CA C 76 56.900 56.900 55.755 1.145 25476 8527 1 13 . 1 1 76 76 PHE H H 76 9.840 9.840 8.776 1.064 25476 8528 1 13 . 1 1 77 77 ASP N N 77 125.580 125.580 127.207 -1.627 25476 8529 1 13 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.425 -0.095 25476 8530 1 13 . 1 1 77 77 ASP C C 77 178.310 178.310 176.558 1.752 25476 8531 1 13 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.080 0.670 25476 8532 1 13 . 1 1 77 77 ASP CB C 77 42.460 42.460 44.177 -1.717 25476 8533 1 13 . 1 1 77 77 ASP H H 77 7.940 7.940 8.094 -0.154 25476 8534 1 13 . 1 1 78 78 LYS N N 78 116.610 116.610 118.880 -2.270 25476 8535 1 13 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.828 0.262 25476 8536 1 13 . 1 1 78 78 LYS C C 78 176.910 176.910 176.783 0.127 25476 8537 1 13 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.466 -0.886 25476 8538 1 13 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.033 -1.003 25476 8539 1 13 . 1 1 78 78 LYS H H 78 9.030 9.030 8.349 0.681 25476 8540 1 13 . 1 1 79 79 GLU N N 79 120.510 120.510 116.900 3.610 25476 8541 1 13 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.356 -0.096 25476 8542 1 13 . 1 1 79 79 GLU C C 79 176.160 176.160 176.272 -0.112 25476 8543 1 13 . 1 1 79 79 GLU CA C 79 55.330 55.330 55.225 0.105 25476 8544 1 13 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.477 -0.056 25476 8545 1 13 . 1 1 79 79 GLU H H 79 7.850 7.850 7.892 -0.042 25476 8546 1 13 . 1 1 80 80 GLY N N 80 109.610 109.610 108.545 1.065 25476 8547 1 13 . 1 1 80 80 GLY C C 80 172.820 172.820 174.139 -1.319 25476 8548 1 13 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.738 -0.358 25476 8549 1 13 . 1 1 80 80 GLY H H 80 7.800 7.800 7.269 0.531 25476 8550 1 13 . 1 1 81 81 ASN N N 81 117.680 117.680 117.720 -0.040 25476 8551 1 13 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.613 0.097 25476 8552 1 13 . 1 1 81 81 ASN C C 81 174.110 174.110 175.530 -1.420 25476 8553 1 13 . 1 1 81 81 ASN CA C 81 51.160 51.160 52.213 -1.053 25476 8554 1 13 . 1 1 81 81 ASN CB C 81 40.160 40.160 39.072 1.088 25476 8555 1 13 . 1 1 81 81 ASN H H 81 7.560 7.560 7.869 -0.309 25476 8556 1 13 . 1 1 82 82 TRP N N 82 122.870 122.870 122.178 0.692 25476 8557 1 13 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.635 0.515 25476 8558 1 13 . 1 1 82 82 TRP C C 82 177.480 177.480 175.471 2.009 25476 8559 1 13 . 1 1 82 82 TRP CA C 82 57.260 57.260 57.200 0.060 25476 8560 1 13 . 1 1 82 82 TRP H H 82 8.480 8.480 8.103 0.377 25476 8561 1 13 . 1 1 83 83 THR N N 83 118.050 118.050 120.345 -2.295 25476 8562 1 13 . 1 1 83 83 THR HA H 83 4.820 4.820 4.306 0.514 25476 8563 1 13 . 1 1 83 83 THR C C 83 173.630 173.630 173.536 0.094 25476 8564 1 13 . 1 1 83 83 THR CA C 83 60.470 60.470 61.079 -0.609 25476 8565 1 13 . 1 1 83 83 THR CB C 83 72.050 72.050 71.229 0.821 25476 8566 1 13 . 1 1 83 83 THR H H 83 9.280 9.280 8.060 1.220 25476 8567 1 13 . 1 1 84 84 VAL N N 84 125.990 125.990 123.708 2.282 25476 8568 1 13 . 1 1 84 84 VAL HA H 84 4.530 4.530 3.910 0.620 25476 8569 1 13 . 1 1 84 84 VAL C C 84 175.440 175.440 175.454 -0.014 25476 8570 1 13 . 1 1 84 84 VAL CA C 84 64.280 64.280 63.051 1.229 25476 8571 1 13 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.783 -0.153 25476 8572 1 13 . 1 1 84 84 VAL H H 84 9.100 9.100 8.270 0.830 25476 8573 1 13 . 1 1 85 85 VAL N N 85 124.640 124.640 128.558 -3.918 25476 8574 1 13 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.534 0.436 25476 8575 1 13 . 1 1 85 85 VAL CA C 85 58.050 58.050 59.309 -1.259 25476 8576 1 13 . 1 1 85 85 VAL CB C 85 35.190 35.190 35.363 -0.173 25476 8577 1 13 . 1 1 85 85 VAL H H 85 7.430 7.430 8.141 -0.711 25476 8578 1 13 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.656 -0.176 25476 8579 1 13 . 1 1 86 86 PRO C C 86 175.970 175.970 176.277 -0.307 25476 8580 1 13 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.388 0.532 25476 8581 1 13 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.171 -0.241 25476 8582 1 13 . 1 1 87 87 ILE N N 87 123.980 123.980 121.894 2.086 25476 8583 1 13 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.498 0.422 25476 8584 1 13 . 1 1 87 87 ILE C C 87 175.510 175.510 175.549 -0.039 25476 8585 1 13 . 1 1 87 87 ILE CA C 87 60.120 60.120 60.200 -0.080 25476 8586 1 13 . 1 1 87 87 ILE CB C 87 37.550 37.550 36.605 0.945 25476 8587 1 13 . 1 1 87 87 ILE H H 87 8.500 8.500 8.079 0.421 25476 8588 1 13 . 1 1 88 88 ASN N N 88 119.050 119.050 126.278 -7.228 25476 8589 1 13 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.746 -0.386 25476 8590 1 13 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.691 -0.481 25476 8591 1 13 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.866 -2.126 25476 8592 1 13 . 1 1 88 88 ASN H H 88 8.390 8.390 8.642 -0.252 25476 8593 1 13 . 1 1 90 90 THR HA H 90 3.800 3.800 3.855 -0.055 25476 8594 1 13 . 1 1 90 90 THR C C 90 175.860 175.860 175.887 -0.027 25476 8595 1 13 . 1 1 90 90 THR CA C 90 66.300 66.300 65.510 0.790 25476 8596 1 13 . 1 1 90 90 THR CB C 90 68.380 68.380 68.940 -0.560 25476 8597 1 13 . 1 1 91 91 GLU N N 91 120.430 120.430 120.391 0.039 25476 8598 1 13 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.086 0.024 25476 8599 1 13 . 1 1 91 91 GLU C C 91 179.320 179.320 178.627 0.693 25476 8600 1 13 . 1 1 91 91 GLU CA C 91 59.460 59.460 58.969 0.491 25476 8601 1 13 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.744 0.296 25476 8602 1 13 . 1 1 91 91 GLU H H 91 9.440 9.440 8.639 0.801 25476 8603 1 13 . 1 1 92 92 VAL N N 92 119.810 119.810 120.316 -0.506 25476 8604 1 13 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.801 -0.181 25476 8605 1 13 . 1 1 92 92 VAL C C 92 177.270 177.270 177.502 -0.232 25476 8606 1 13 . 1 1 92 92 VAL CA C 92 65.950 65.950 66.384 -0.434 25476 8607 1 13 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.990 -0.510 25476 8608 1 13 . 1 1 92 92 VAL H H 92 7.010 7.010 7.713 -0.703 25476 8609 1 13 . 1 1 93 93 VAL N N 93 120.570 120.570 120.540 0.030 25476 8610 1 13 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.470 -0.180 25476 8611 1 13 . 1 1 93 93 VAL C C 93 177.970 177.970 177.718 0.252 25476 8612 1 13 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.394 0.956 25476 8613 1 13 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.510 -0.050 25476 8614 1 13 . 1 1 93 93 VAL H H 93 7.720 7.720 7.239 0.481 25476 8615 1 13 . 1 1 94 94 GLU N N 94 118.100 118.100 117.947 0.153 25476 8616 1 13 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.061 0.049 25476 8617 1 13 . 1 1 94 94 GLU C C 94 179.420 179.420 178.939 0.481 25476 8618 1 13 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.627 0.023 25476 8619 1 13 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.173 0.217 25476 8620 1 13 . 1 1 94 94 GLU H H 94 8.320 8.320 8.072 0.248 25476 8621 1 13 . 1 1 95 95 ARG N N 95 120.330 120.330 120.605 -0.275 25476 8622 1 13 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.234 0.136 25476 8623 1 13 . 1 1 95 95 ARG C C 95 179.510 179.510 178.748 0.762 25476 8624 1 13 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.342 -0.801 25476 8625 1 13 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.649 -0.029 25476 8626 1 13 . 1 1 95 95 ARG H H 95 7.350 7.350 7.847 -0.497 25476 8627 1 13 . 1 1 96 96 LEU N N 96 124.600 124.600 120.654 3.946 25476 8628 1 13 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.316 -0.486 25476 8629 1 13 . 1 1 96 96 LEU C C 96 177.600 177.600 179.654 -2.054 25476 8630 1 13 . 1 1 96 96 LEU CA C 96 59.290 59.290 58.737 0.553 25476 8631 1 13 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.988 -2.388 25476 8632 1 13 . 1 1 96 96 LEU H H 96 8.600 8.600 8.069 0.531 25476 8633 1 13 . 1 1 97 97 GLU N N 97 118.190 118.190 119.968 -1.778 25476 8634 1 13 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.093 -0.353 25476 8635 1 13 . 1 1 97 97 GLU C C 97 177.630 177.630 179.189 -1.559 25476 8636 1 13 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.809 0.631 25476 8637 1 13 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.665 -1.445 25476 8638 1 13 . 1 1 97 97 GLU H H 97 8.540 8.540 8.189 0.351 25476 8639 1 13 . 1 1 98 98 TYR N N 98 119.160 119.160 119.890 -0.730 25476 8640 1 13 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.273 -0.203 25476 8641 1 13 . 1 1 98 98 TYR C C 98 179.010 179.010 177.406 1.604 25476 8642 1 13 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.508 0.612 25476 8643 1 13 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.953 -0.163 25476 8644 1 13 . 1 1 98 98 TYR H H 98 8.380 8.380 7.774 0.606 25476 8645 1 13 . 1 1 99 99 THR N N 99 109.220 109.220 115.436 -6.216 25476 8646 1 13 . 1 1 99 99 THR HA H 99 4.310 4.310 4.036 0.274 25476 8647 1 13 . 1 1 99 99 THR C C 99 178.320 178.320 176.751 1.569 25476 8648 1 13 . 1 1 99 99 THR CA C 99 64.890 64.890 66.951 -2.061 25476 8649 1 13 . 1 1 99 99 THR CB C 99 69.810 69.810 69.140 0.670 25476 8650 1 13 . 1 1 99 99 THR H H 99 8.480 8.480 8.458 0.022 25476 8651 1 13 . 1 1 100 100 LEU N N 100 128.250 128.250 120.801 7.449 25476 8652 1 13 . 1 1 100 100 LEU HA H 100 3.540 3.540 3.676 -0.136 25476 8653 1 13 . 1 1 100 100 LEU C C 100 177.870 177.870 178.370 -0.500 25476 8654 1 13 . 1 1 100 100 LEU CA C 100 58.200 58.200 58.006 0.194 25476 8655 1 13 . 1 1 100 100 LEU CB C 100 41.460 41.460 41.133 0.327 25476 8656 1 13 . 1 1 100 100 LEU H H 100 8.200 8.200 8.314 -0.114 25476 8657 1 13 . 1 1 101 101 ARG N N 101 118.550 118.550 119.716 -1.166 25476 8658 1 13 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.953 -0.343 25476 8659 1 13 . 1 1 101 101 ARG C C 101 178.930 178.930 178.482 0.448 25476 8660 1 13 . 1 1 101 101 ARG CA C 101 60.460 60.460 58.964 1.496 25476 8661 1 13 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.603 -0.313 25476 8662 1 13 . 1 1 101 101 ARG H H 101 8.440 8.440 7.352 1.088 25476 8663 1 13 . 1 1 102 102 GLU N N 102 119.760 119.760 118.696 1.064 25476 8664 1 13 . 1 1 102 102 GLU HA H 102 3.920 3.920 3.946 -0.026 25476 8665 1 13 . 1 1 102 102 GLU C C 102 178.360 178.360 178.990 -0.630 25476 8666 1 13 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.829 0.121 25476 8667 1 13 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.024 0.996 25476 8668 1 13 . 1 1 102 102 GLU H H 102 7.970 7.970 7.839 0.131 25476 8669 1 13 . 1 1 103 103 PHE N N 103 119.570 119.570 119.436 0.134 25476 8670 1 13 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.090 -0.170 25476 8671 1 13 . 1 1 103 103 PHE C C 103 175.350 175.350 176.695 -1.345 25476 8672 1 13 . 1 1 103 103 PHE CA C 103 60.800 60.800 59.834 0.966 25476 8673 1 13 . 1 1 103 103 PHE CB C 103 39.540 39.540 38.337 1.204 25476 8674 1 13 . 1 1 103 103 PHE H H 103 7.630 7.630 8.219 -0.589 25476 8675 1 13 . 1 1 104 104 HIS N N 104 119.160 119.160 119.488 -0.328 25476 8676 1 13 . 1 1 104 104 HIS HA H 104 3.030 3.030 3.838 -0.808 25476 8677 1 13 . 1 1 104 104 HIS C C 104 175.460 175.460 176.973 -1.513 25476 8678 1 13 . 1 1 104 104 HIS CA C 104 60.710 60.710 58.570 2.140 25476 8679 1 13 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.470 2.260 25476 8680 1 13 . 1 1 104 104 HIS H H 104 8.800 8.800 7.408 1.392 25476 8681 1 13 . 1 1 105 105 GLU N N 105 117.900 117.900 118.609 -0.709 25476 8682 1 13 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.459 -0.019 25476 8683 1 13 . 1 1 105 105 GLU C C 105 177.990 177.990 178.645 -0.655 25476 8684 1 13 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.029 0.581 25476 8685 1 13 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.296 0.004 25476 8686 1 13 . 1 1 105 105 GLU H H 105 7.890 7.890 7.494 0.396 25476 8687 1 13 . 1 1 106 106 LYS N N 106 117.260 117.260 118.474 -1.214 25476 8688 1 13 . 1 1 106 106 LYS HA H 106 3.970 3.970 4.027 -0.057 25476 8689 1 13 . 1 1 106 106 LYS C C 106 179.570 179.570 178.693 0.877 25476 8690 1 13 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.801 -0.091 25476 8691 1 13 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.225 0.555 25476 8692 1 13 . 1 1 106 106 LYS H H 106 6.870 6.870 7.351 -0.481 25476 8693 1 13 . 1 1 107 107 LEU N N 107 123.180 123.180 121.431 1.749 25476 8694 1 13 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.820 -0.370 25476 8695 1 13 . 1 1 107 107 LEU C C 107 177.170 177.170 178.362 -1.192 25476 8696 1 13 . 1 1 107 107 LEU CA C 107 57.340 57.340 56.572 0.768 25476 8697 1 13 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.413 0.827 25476 8698 1 13 . 1 1 107 107 LEU H H 107 8.020 8.020 7.573 0.447 25476 8699 1 13 . 1 1 108 108 ARG N N 108 120.070 120.070 119.583 0.487 25476 8700 1 13 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.812 -0.402 25476 8701 1 13 . 1 1 108 108 ARG C C 108 178.460 178.460 177.883 0.577 25476 8702 1 13 . 1 1 108 108 ARG CA C 108 59.640 59.640 60.101 -0.461 25476 8703 1 13 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.682 -0.472 25476 8704 1 13 . 1 1 108 108 ARG H H 108 8.680 8.680 7.763 0.917 25476 8705 1 13 . 1 1 109 109 ASP N N 109 119.480 119.480 119.349 0.131 25476 8706 1 13 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.296 0.014 25476 8707 1 13 . 1 1 109 109 ASP C C 109 178.900 178.900 178.483 0.417 25476 8708 1 13 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.053 0.087 25476 8709 1 13 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.510 -0.640 25476 8710 1 13 . 1 1 109 109 ASP H H 109 7.890 7.890 7.556 0.334 25476 8711 1 13 . 1 1 110 110 LEU N N 110 122.740 122.740 120.769 1.971 25476 8712 1 13 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.951 0.149 25476 8713 1 13 . 1 1 110 110 LEU C C 110 179.830 179.830 178.645 1.185 25476 8714 1 13 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.984 -0.305 25476 8715 1 13 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.963 -0.673 25476 8716 1 13 . 1 1 110 110 LEU H H 110 7.650 7.650 7.376 0.274 25476 8717 1 13 . 1 1 111 111 LEU N N 111 122.170 122.170 119.010 3.160 25476 8718 1 13 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.748 0.082 25476 8719 1 13 . 1 1 111 111 LEU C C 111 179.990 179.990 179.131 0.859 25476 8720 1 13 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.044 0.566 25476 8721 1 13 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.389 -2.009 25476 8722 1 13 . 1 1 111 111 LEU H H 111 8.320 8.320 7.752 0.568 25476 8723 1 13 . 1 1 112 112 ILE N N 112 122.490 122.490 119.474 3.016 25476 8724 1 13 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.594 0.376 25476 8725 1 13 . 1 1 112 112 ILE C C 112 180.930 180.930 178.339 2.591 25476 8726 1 13 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.389 -0.729 25476 8727 1 13 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.672 -0.352 25476 8728 1 13 . 1 1 112 112 ILE H H 112 8.790 8.790 8.173 0.617 25476 8729 1 13 . 1 1 113 113 SER N N 113 119.860 119.860 114.661 5.199 25476 8730 1 13 . 1 1 113 113 SER HA H 113 4.400 4.400 4.231 0.169 25476 8731 1 13 . 1 1 113 113 SER C C 113 174.520 174.520 175.680 -1.160 25476 8732 1 13 . 1 1 113 113 SER CA C 113 61.390 61.390 60.921 0.469 25476 8733 1 13 . 1 1 113 113 SER CB C 113 62.630 62.630 63.268 -0.638 25476 8734 1 13 . 1 1 113 113 SER H H 113 7.720 7.720 7.518 0.202 25476 8735 1 13 . 1 1 114 114 MET N N 114 121.890 121.890 117.927 3.963 25476 8736 1 13 . 1 1 114 114 MET HA H 114 4.530 4.530 4.501 0.029 25476 8737 1 13 . 1 1 114 114 MET C C 114 173.850 173.850 174.813 -0.963 25476 8738 1 13 . 1 1 114 114 MET CA C 114 55.330 55.330 55.465 -0.135 25476 8739 1 13 . 1 1 114 114 MET CB C 114 34.040 34.040 33.520 0.520 25476 8740 1 13 . 1 1 114 114 MET H H 114 7.480 7.480 7.225 0.255 25476 8741 1 13 . 1 1 115 115 GLU N N 115 114.160 114.160 116.682 -2.522 25476 8742 1 13 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.949 -0.049 25476 8743 1 13 . 1 1 115 115 GLU C C 115 174.880 174.880 175.333 -0.453 25476 8744 1 13 . 1 1 115 115 GLU CA C 115 57.270 57.270 56.942 0.328 25476 8745 1 13 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.163 -0.653 25476 8746 1 13 . 1 1 115 115 GLU H H 115 8.110 8.110 7.690 0.420 25476 8747 1 13 . 1 1 116 116 LEU N N 116 119.870 119.870 118.530 1.340 25476 8748 1 13 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.661 -0.001 25476 8749 1 13 . 1 1 116 116 LEU C C 116 174.910 174.910 175.780 -0.870 25476 8750 1 13 . 1 1 116 116 LEU CA C 116 53.100 53.100 52.971 0.129 25476 8751 1 13 . 1 1 116 116 LEU CB C 116 45.570 45.570 44.978 0.592 25476 8752 1 13 . 1 1 116 116 LEU H H 116 7.970 7.970 7.642 0.328 25476 8753 1 13 . 1 1 117 117 ALA N N 117 123.730 123.730 123.292 0.438 25476 8754 1 13 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.630 -0.180 25476 8755 1 13 . 1 1 117 117 ALA C C 117 174.870 174.870 176.047 -1.177 25476 8756 1 13 . 1 1 117 117 ALA CA C 117 50.870 50.870 50.943 -0.073 25476 8757 1 13 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.664 0.036 25476 8758 1 13 . 1 1 117 117 ALA H H 117 7.530 7.530 8.507 -0.977 25476 8759 1 13 . 1 1 118 118 LEU N N 118 121.610 121.610 120.748 0.862 25476 8760 1 13 . 1 1 118 118 LEU HA H 118 5.480 5.480 4.892 0.588 25476 8761 1 13 . 1 1 118 118 LEU C C 118 175.560 175.560 176.546 -0.986 25476 8762 1 13 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.186 -0.346 25476 8763 1 13 . 1 1 118 118 LEU CB C 118 43.490 43.490 43.064 0.426 25476 8764 1 13 . 1 1 118 118 LEU H H 118 8.250 8.250 8.482 -0.232 25476 8765 1 13 . 1 1 119 119 GLU N N 119 127.300 127.300 122.884 4.416 25476 8766 1 13 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.799 0.321 25476 8767 1 13 . 1 1 119 119 GLU C C 119 171.510 171.510 174.369 -2.859 25476 8768 1 13 . 1 1 119 119 GLU CA C 119 52.970 52.970 54.227 -1.257 25476 8769 1 13 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.615 0.255 25476 8770 1 13 . 1 1 119 119 GLU H H 119 8.730 8.730 8.783 -0.053 25476 8771 1 13 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.446 0.124 25476 8772 1 13 . 1 1 120 120 PRO C C 120 176.420 176.420 175.865 0.555 25476 8773 1 13 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.481 -0.721 25476 8774 1 13 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.386 0.004 25476 8775 1 13 . 1 1 121 121 SER N N 121 117.040 117.040 115.354 1.686 25476 8776 1 13 . 1 1 121 121 SER HA H 121 4.060 4.060 4.246 -0.186 25476 8777 1 13 . 1 1 121 121 SER C C 121 175.150 175.150 176.247 -1.097 25476 8778 1 13 . 1 1 121 121 SER CA C 121 59.230 59.230 58.822 0.408 25476 8779 1 13 . 1 1 121 121 SER CB C 121 62.970 62.970 64.202 -1.232 25476 8780 1 13 . 1 1 121 121 SER H H 121 8.690 8.690 8.174 0.516 25476 8781 1 13 . 1 1 122 122 ASP N N 122 124.140 124.140 127.000 -2.860 25476 8782 1 13 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.505 -0.135 25476 8783 1 13 . 1 1 122 122 ASP C C 122 176.240 176.240 176.378 -0.138 25476 8784 1 13 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.608 0.492 25476 8785 1 13 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.976 -0.786 25476 8786 1 13 . 1 1 122 122 ASP H H 122 8.830 8.830 8.642 0.188 25476 8787 1 13 . 1 1 123 123 ASP N N 123 115.720 115.720 117.940 -2.220 25476 8788 1 13 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.811 -0.191 25476 8789 1 13 . 1 1 123 123 ASP C C 123 174.850 174.850 174.689 0.161 25476 8790 1 13 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.151 -0.361 25476 8791 1 13 . 1 1 123 123 ASP CB C 123 40.270 40.270 41.048 -0.778 25476 8792 1 13 . 1 1 123 123 ASP H H 123 8.210 8.210 7.885 0.325 25476 8793 1 13 . 1 1 124 124 PHE N N 124 122.440 122.440 119.269 3.171 25476 8794 1 13 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.809 0.221 25476 8795 1 13 . 1 1 124 124 PHE C C 124 174.040 174.040 174.346 -0.306 25476 8796 1 13 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.587 -1.547 25476 8797 1 13 . 1 1 124 124 PHE CB C 124 42.170 42.170 40.895 1.274 25476 8798 1 13 . 1 1 124 124 PHE H H 124 8.060 8.060 7.781 0.279 25476 8799 1 13 . 1 1 125 125 ASN N N 125 126.850 126.850 123.046 3.804 25476 8800 1 13 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.551 0.189 25476 8801 1 13 . 1 1 125 125 ASN C C 125 175.070 175.070 173.632 1.438 25476 8802 1 13 . 1 1 125 125 ASN CA C 125 53.430 53.430 53.876 -0.446 25476 8803 1 13 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.713 0.017 25476 8804 1 13 . 1 1 125 125 ASN H H 125 7.700 7.700 8.445 -0.745 25476 8805 1 13 . 1 1 126 126 ASP N N 126 120.330 120.330 115.495 4.835 25476 8806 1 13 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.263 -0.133 25476 8807 1 13 . 1 1 126 126 ASP C C 126 176.280 176.280 174.230 2.050 25476 8808 1 13 . 1 1 126 126 ASP CA C 126 56.030 56.030 53.790 2.240 25476 8809 1 13 . 1 1 126 126 ASP CB C 126 39.100 39.100 41.233 -2.132 25476 8810 1 13 . 1 1 126 126 ASP H H 126 7.300 7.300 7.202 0.098 25476 8811 1 13 . 1 1 127 127 GLU N N 127 127.840 127.840 120.732 7.108 25476 8812 1 13 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.404 -0.044 25476 8813 1 13 . 1 1 127 127 GLU CA C 127 55.470 55.470 54.932 0.538 25476 8814 1 13 . 1 1 127 127 GLU H H 127 8.320 8.320 8.155 0.165 25476 8815 1 13 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.719 -0.049 25476 8816 1 13 . 1 1 128 128 PRO C C 128 176.010 176.010 176.433 -0.423 25476 8817 1 13 . 1 1 128 128 PRO CA C 128 63.630 63.630 63.076 0.554 25476 8818 1 13 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.377 -0.437 25476 8819 1 13 . 1 1 129 129 VAL N N 129 122.940 122.940 118.685 4.255 25476 8820 1 13 . 1 1 129 129 VAL HA H 129 3.990 3.990 4.185 -0.195 25476 8821 1 13 . 1 1 129 129 VAL C C 129 173.650 173.650 175.994 -2.344 25476 8822 1 13 . 1 1 129 129 VAL CA C 129 60.980 60.980 61.605 -0.625 25476 8823 1 13 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.436 -0.306 25476 8824 1 13 . 1 1 129 129 VAL H H 129 7.990 7.990 7.938 0.052 25476 8825 1 13 . 1 1 130 130 LYS N N 130 124.620 124.620 126.385 -1.765 25476 8826 1 13 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.331 0.179 25476 8827 1 13 . 1 1 130 130 LYS C C 130 174.900 174.900 176.773 -1.873 25476 8828 1 13 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.119 -2.969 25476 8829 1 13 . 1 1 130 130 LYS CB C 130 34.510 34.510 32.051 2.459 25476 8830 1 13 . 1 1 130 130 LYS H H 130 8.240 8.240 8.482 -0.242 25476 8831 1 13 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.585 -0.785 25476 8832 1 13 . 1 1 131 131 LEU C C 131 178.400 178.400 177.924 0.476 25476 8833 1 13 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.338 -0.288 25476 8834 1 13 . 1 1 131 131 LEU CB C 131 40.800 40.800 42.455 -1.655 25476 8835 1 13 . 1 1 132 132 SER N N 132 115.550 115.550 114.311 1.239 25476 8836 1 13 . 1 1 132 132 SER HA H 132 4.610 4.610 4.605 0.005 25476 8837 1 13 . 1 1 132 132 SER C C 132 172.970 172.970 173.513 -0.543 25476 8838 1 13 . 1 1 132 132 SER CA C 132 58.620 58.620 57.766 0.855 25476 8839 1 13 . 1 1 132 132 SER CB C 132 63.310 63.310 61.538 1.772 25476 8840 1 13 . 1 1 132 132 SER H H 132 9.070 9.070 8.189 0.881 25476 8841 1 14 . 1 1 2 2 THR N N 2 118.280 118.280 113.995 4.285 25476 8842 1 14 . 1 1 2 2 THR HA H 2 4.550 4.550 4.517 0.033 25476 8843 1 14 . 1 1 2 2 THR C C 2 174.150 174.150 174.778 -0.628 25476 8844 1 14 . 1 1 2 2 THR CA C 2 61.600 61.600 61.138 0.462 25476 8845 1 14 . 1 1 2 2 THR CB C 2 69.970 69.970 70.157 -0.187 25476 8846 1 14 . 1 1 2 2 THR H H 2 8.470 8.470 7.634 0.836 25476 8847 1 14 . 1 1 3 3 LEU N N 3 125.130 125.130 121.665 3.465 25476 8848 1 14 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.600 0.060 25476 8849 1 14 . 1 1 3 3 LEU C C 3 176.690 176.690 177.959 -1.269 25476 8850 1 14 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.193 0.347 25476 8851 1 14 . 1 1 3 3 LEU CB C 3 40.050 40.050 40.872 -0.822 25476 8852 1 14 . 1 1 3 3 LEU H H 3 8.580 8.580 8.120 0.460 25476 8853 1 14 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.361 -0.001 25476 8854 1 14 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.581 0.889 25476 8855 1 14 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.833 0.057 25476 8856 1 14 . 1 1 5 5 SER HA H 5 4.580 4.580 4.400 0.180 25476 8857 1 14 . 1 1 5 5 SER C C 5 175.510 175.510 175.642 -0.132 25476 8858 1 14 . 1 1 5 5 SER CA C 5 59.410 59.410 58.675 0.736 25476 8859 1 14 . 1 1 5 5 SER CB C 5 63.110 63.110 63.229 -0.119 25476 8860 1 14 . 1 1 6 6 GLY N N 6 112.010 112.010 109.024 2.986 25476 8861 1 14 . 1 1 6 6 GLY C C 6 173.300 173.300 174.298 -0.998 25476 8862 1 14 . 1 1 6 6 GLY CA C 6 44.530 44.530 44.882 -0.352 25476 8863 1 14 . 1 1 6 6 GLY H H 6 8.620 8.620 7.639 0.981 25476 8864 1 14 . 1 1 7 7 HIS N N 7 119.440 119.440 121.346 -1.906 25476 8865 1 14 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.947 -0.267 25476 8866 1 14 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.692 2.648 25476 8867 1 14 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.833 0.197 25476 8868 1 14 . 1 1 7 7 HIS H H 7 7.170 7.170 7.943 -0.773 25476 8869 1 14 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.493 0.297 25476 8870 1 14 . 1 1 8 8 PRO C C 8 178.140 178.140 176.989 1.151 25476 8871 1 14 . 1 1 8 8 PRO CA C 8 62.850 62.850 62.992 -0.142 25476 8872 1 14 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.999 -1.019 25476 8873 1 14 . 1 1 9 9 LYS N N 9 127.570 127.570 126.913 0.657 25476 8874 1 14 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.242 -0.072 25476 8875 1 14 . 1 1 9 9 LYS C C 9 178.050 178.050 178.426 -0.376 25476 8876 1 14 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.555 0.275 25476 8877 1 14 . 1 1 9 9 LYS H H 9 9.000 9.000 8.744 0.256 25476 8878 1 14 . 1 1 10 10 SER N N 10 113.610 113.610 114.974 -1.364 25476 8879 1 14 . 1 1 10 10 SER HA H 10 4.120 4.120 4.269 -0.149 25476 8880 1 14 . 1 1 10 10 SER C C 10 176.750 176.750 176.730 0.020 25476 8881 1 14 . 1 1 10 10 SER CA C 10 61.050 61.050 61.755 -0.705 25476 8882 1 14 . 1 1 10 10 SER H H 10 9.170 9.170 8.636 0.534 25476 8883 1 14 . 1 1 11 11 ARG N N 11 122.220 122.220 120.327 1.893 25476 8884 1 14 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.117 0.033 25476 8885 1 14 . 1 1 11 11 ARG C C 11 177.890 177.890 178.596 -0.706 25476 8886 1 14 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.820 -0.540 25476 8887 1 14 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.675 0.335 25476 8888 1 14 . 1 1 11 11 ARG H H 11 7.100 7.100 8.510 -1.410 25476 8889 1 14 . 1 1 12 12 LEU N N 12 121.360 121.360 120.502 0.858 25476 8890 1 14 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.853 -0.283 25476 8891 1 14 . 1 1 12 12 LEU C C 12 177.890 177.890 178.602 -0.712 25476 8892 1 14 . 1 1 12 12 LEU CA C 12 56.000 56.000 57.810 -1.810 25476 8893 1 14 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.870 -2.430 25476 8894 1 14 . 1 1 12 12 LEU H H 12 7.220 7.220 7.314 -0.094 25476 8895 1 14 . 1 1 13 13 ILE N N 13 118.920 118.920 119.739 -0.819 25476 8896 1 14 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.735 0.035 25476 8897 1 14 . 1 1 13 13 ILE C C 13 179.060 179.060 178.345 0.715 25476 8898 1 14 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.668 0.462 25476 8899 1 14 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.730 -0.300 25476 8900 1 14 . 1 1 13 13 ILE H H 13 8.590 8.590 8.783 -0.193 25476 8901 1 14 . 1 1 14 14 LYS N N 14 121.950 121.950 118.174 3.776 25476 8902 1 14 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.147 -0.017 25476 8903 1 14 . 1 1 14 14 LYS C C 14 179.810 179.810 178.830 0.980 25476 8904 1 14 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.393 1.667 25476 8905 1 14 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.004 0.076 25476 8906 1 14 . 1 1 14 14 LYS H H 14 7.730 7.730 7.819 -0.089 25476 8907 1 14 . 1 1 15 15 LYS N N 15 119.750 119.750 119.336 0.414 25476 8908 1 14 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.995 0.125 25476 8909 1 14 . 1 1 15 15 LYS C C 15 179.700 179.700 179.424 0.276 25476 8910 1 14 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.030 -0.300 25476 8911 1 14 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.306 -0.356 25476 8912 1 14 . 1 1 15 15 LYS H H 15 7.800 7.800 7.234 0.566 25476 8913 1 14 . 1 1 16 16 PHE N N 16 117.660 117.660 118.218 -0.558 25476 8914 1 14 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.262 0.498 25476 8915 1 14 . 1 1 16 16 PHE C C 16 180.960 180.960 178.197 2.763 25476 8916 1 14 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.130 -3.490 25476 8917 1 14 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.155 0.645 25476 8918 1 14 . 1 1 16 16 PHE H H 16 9.130 9.130 8.572 0.558 25476 8919 1 14 . 1 1 17 17 THR N N 17 120.130 120.130 116.032 4.098 25476 8920 1 14 . 1 1 17 17 THR HA H 17 4.370 4.370 4.056 0.314 25476 8921 1 14 . 1 1 17 17 THR C C 17 175.550 175.550 176.064 -0.514 25476 8922 1 14 . 1 1 17 17 THR CA C 17 66.840 66.840 65.964 0.876 25476 8923 1 14 . 1 1 17 17 THR CB C 17 68.920 68.920 68.252 0.668 25476 8924 1 14 . 1 1 17 17 THR H H 17 8.940 8.940 7.661 1.279 25476 8925 1 14 . 1 1 18 18 ALA N N 18 122.170 122.170 123.183 -1.013 25476 8926 1 14 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.253 0.127 25476 8927 1 14 . 1 1 18 18 ALA C C 18 178.110 178.110 177.844 0.266 25476 8928 1 14 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.733 -0.343 25476 8929 1 14 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.391 -0.091 25476 8930 1 14 . 1 1 18 18 ALA H H 18 7.310 7.310 7.989 -0.679 25476 8931 1 14 . 1 1 19 19 LEU N N 19 116.080 116.080 116.590 -0.510 25476 8932 1 14 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.468 -0.098 25476 8933 1 14 . 1 1 19 19 LEU C C 19 176.620 176.620 176.199 0.421 25476 8934 1 14 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.019 2.611 25476 8935 1 14 . 1 1 19 19 LEU CB C 19 42.420 42.420 41.940 0.480 25476 8936 1 14 . 1 1 19 19 LEU H H 19 7.580 7.580 7.658 -0.078 25476 8937 1 14 . 1 1 20 20 GLY N N 20 103.280 103.280 106.762 -3.482 25476 8938 1 14 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.935 -0.875 25476 8939 1 14 . 1 1 20 20 GLY H H 20 7.650 7.650 7.292 0.358 25476 8940 1 14 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.457 0.413 25476 8941 1 14 . 1 1 21 21 PRO C C 21 174.850 174.850 176.410 -1.560 25476 8942 1 14 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.471 0.669 25476 8943 1 14 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.460 -3.560 25476 8944 1 14 . 1 1 22 22 TYR N N 22 120.690 120.690 117.469 3.221 25476 8945 1 14 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.313 0.867 25476 8946 1 14 . 1 1 22 22 TYR C C 22 176.340 176.340 176.685 -0.345 25476 8947 1 14 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.621 -1.841 25476 8948 1 14 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.505 2.995 25476 8949 1 14 . 1 1 22 22 TYR H H 22 7.680 7.680 8.394 -0.714 25476 8950 1 14 . 1 1 23 23 ILE N N 23 119.130 119.130 123.299 -4.169 25476 8951 1 14 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.097 0.023 25476 8952 1 14 . 1 1 23 23 ILE C C 23 174.210 174.210 176.140 -1.930 25476 8953 1 14 . 1 1 23 23 ILE CA C 23 61.830 61.830 60.933 0.897 25476 8954 1 14 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.607 -0.107 25476 8955 1 14 . 1 1 23 23 ILE H H 23 8.860 8.860 8.741 0.119 25476 8956 1 14 . 1 1 24 24 ARG N N 24 126.540 126.540 127.518 -0.978 25476 8957 1 14 . 1 1 24 24 ARG C C 24 177.290 177.290 176.042 1.248 25476 8958 1 14 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.737 -3.647 25476 8959 1 14 . 1 1 24 24 ARG H H 24 8.100 8.100 8.691 -0.591 25476 8960 1 14 . 1 1 25 25 GLU N N 25 126.990 126.990 126.090 0.900 25476 8961 1 14 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.281 -0.181 25476 8962 1 14 . 1 1 25 25 GLU C C 25 176.780 176.780 177.237 -0.457 25476 8963 1 14 . 1 1 25 25 GLU CA C 25 60.860 60.860 57.563 3.297 25476 8964 1 14 . 1 1 25 25 GLU CB C 25 29.650 29.650 29.845 -0.195 25476 8965 1 14 . 1 1 25 25 GLU H H 25 9.400 9.400 8.077 1.323 25476 8966 1 14 . 1 1 26 26 GLY N N 26 109.830 109.830 111.753 -1.923 25476 8967 1 14 . 1 1 26 26 GLY C C 26 174.380 174.380 173.818 0.562 25476 8968 1 14 . 1 1 26 26 GLY CA C 26 45.520 45.520 45.084 0.436 25476 8969 1 14 . 1 1 26 26 GLY H H 26 8.070 8.070 8.746 -0.676 25476 8970 1 14 . 1 1 27 27 GLN N N 27 117.670 117.670 121.037 -3.367 25476 8971 1 14 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.316 -0.006 25476 8972 1 14 . 1 1 27 27 GLN C C 27 175.350 175.350 176.326 -0.976 25476 8973 1 14 . 1 1 27 27 GLN CA C 27 55.320 55.320 56.968 -1.648 25476 8974 1 14 . 1 1 27 27 GLN CB C 27 29.340 29.340 29.156 0.184 25476 8975 1 14 . 1 1 27 27 GLN H H 27 7.690 7.690 8.525 -0.835 25476 8976 1 14 . 1 1 28 28 CYS N N 28 119.770 119.770 118.030 1.740 25476 8977 1 14 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.458 0.082 25476 8978 1 14 . 1 1 28 28 CYS C C 28 173.480 173.480 174.191 -0.711 25476 8979 1 14 . 1 1 28 28 CYS CA C 28 58.810 58.810 59.283 -0.473 25476 8980 1 14 . 1 1 28 28 CYS CB C 28 27.070 27.070 29.206 -2.136 25476 8981 1 14 . 1 1 28 28 CYS H H 28 7.510 7.510 7.765 -0.255 25476 8982 1 14 . 1 1 29 29 GLU N N 29 124.370 124.370 122.962 1.408 25476 8983 1 14 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.323 0.217 25476 8984 1 14 . 1 1 29 29 GLU C C 29 174.810 174.810 175.537 -0.727 25476 8985 1 14 . 1 1 29 29 GLU CA C 29 55.560 55.560 56.521 -0.961 25476 8986 1 14 . 1 1 29 29 GLU CB C 29 30.030 30.030 29.627 0.403 25476 8987 1 14 . 1 1 29 29 GLU H H 29 7.840 7.840 8.256 -0.416 25476 8988 1 14 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.588 -0.008 25476 8989 1 14 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.183 1.267 25476 8990 1 14 . 1 1 31 31 ASN CB C 31 39.200 39.200 38.813 0.387 25476 8991 1 14 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.494 1.016 25476 8992 1 14 . 1 1 32 32 ARG CA C 32 55.050 55.050 55.713 -0.663 25476 8993 1 14 . 1 1 32 32 ARG CB C 32 33.480 33.480 33.140 0.340 25476 8994 1 14 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.689 0.551 25476 8995 1 14 . 1 1 34 34 PHE C C 34 172.210 172.210 174.016 -1.806 25476 8996 1 14 . 1 1 34 34 PHE CA C 34 57.690 57.690 57.745 -0.055 25476 8997 1 14 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.645 2.455 25476 8998 1 14 . 1 1 35 35 PHE N N 35 125.800 125.800 121.281 4.519 25476 8999 1 14 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.765 0.405 25476 9000 1 14 . 1 1 35 35 PHE C C 35 173.110 173.110 173.664 -0.554 25476 9001 1 14 . 1 1 35 35 PHE CA C 35 54.860 54.860 57.263 -2.403 25476 9002 1 14 . 1 1 35 35 PHE CB C 35 43.250 43.250 43.121 0.129 25476 9003 1 14 . 1 1 35 35 PHE H H 35 8.660 8.660 8.231 0.429 25476 9004 1 14 . 1 1 36 36 ASP N N 36 120.960 120.960 123.971 -3.011 25476 9005 1 14 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.247 0.333 25476 9006 1 14 . 1 1 36 36 ASP CA C 36 54.160 54.160 53.024 1.136 25476 9007 1 14 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.315 -0.285 25476 9008 1 14 . 1 1 36 36 ASP H H 36 9.370 9.370 8.609 0.761 25476 9009 1 14 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.494 -0.504 25476 9010 1 14 . 1 1 37 37 CYS C C 37 173.460 173.460 173.756 -0.296 25476 9011 1 14 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.834 -0.224 25476 9012 1 14 . 1 1 37 37 CYS CB C 37 27.170 27.170 28.728 -1.558 25476 9013 1 14 . 1 1 38 38 LEU N N 38 131.890 131.890 127.116 4.774 25476 9014 1 14 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.869 -0.659 25476 9015 1 14 . 1 1 38 38 LEU C C 38 175.570 175.570 176.720 -1.150 25476 9016 1 14 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.062 -0.532 25476 9017 1 14 . 1 1 38 38 LEU CB C 38 37.270 37.270 40.840 -3.570 25476 9018 1 14 . 1 1 38 38 LEU H H 38 8.430 8.430 8.859 -0.429 25476 9019 1 14 . 1 1 39 39 ALA N N 39 127.100 127.100 128.510 -1.410 25476 9020 1 14 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.437 -0.097 25476 9021 1 14 . 1 1 39 39 ALA C C 39 178.500 178.500 177.120 1.380 25476 9022 1 14 . 1 1 39 39 ALA CA C 39 55.380 55.380 53.723 1.657 25476 9023 1 14 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.150 0.960 25476 9024 1 14 . 1 1 39 39 ALA H H 39 7.960 7.960 9.072 -1.112 25476 9025 1 14 . 1 1 40 40 VAL N N 40 116.260 116.260 118.486 -2.226 25476 9026 1 14 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.544 0.076 25476 9027 1 14 . 1 1 40 40 VAL C C 40 173.990 173.990 174.252 -0.262 25476 9028 1 14 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.592 0.348 25476 9029 1 14 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.097 1.383 25476 9030 1 14 . 1 1 40 40 VAL H H 40 8.590 8.590 7.685 0.905 25476 9031 1 14 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.830 -0.950 25476 9032 1 14 . 1 1 41 41 CYS C C 41 174.640 174.640 175.816 -1.176 25476 9033 1 14 . 1 1 41 41 CYS CA C 41 59.280 59.280 57.804 1.476 25476 9034 1 14 . 1 1 41 41 CYS CB C 41 26.700 26.700 28.820 -2.119 25476 9035 1 14 . 1 1 42 42 VAL N N 42 131.320 131.320 119.086 12.234 25476 9036 1 14 . 1 1 42 42 VAL HA H 42 3.480 3.480 4.112 -0.632 25476 9037 1 14 . 1 1 42 42 VAL C C 42 176.270 176.270 175.713 0.557 25476 9038 1 14 . 1 1 42 42 VAL CA C 42 65.390 65.390 63.090 2.300 25476 9039 1 14 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.770 0.070 25476 9040 1 14 . 1 1 42 42 VAL H H 42 8.610 8.610 8.492 0.118 25476 9041 1 14 . 1 1 43 43 ASN N N 43 116.070 116.070 116.745 -0.675 25476 9042 1 14 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.559 0.231 25476 9043 1 14 . 1 1 43 43 ASN C C 43 175.160 175.160 174.778 0.382 25476 9044 1 14 . 1 1 43 43 ASN CA C 43 52.690 52.690 53.987 -1.298 25476 9045 1 14 . 1 1 43 43 ASN CB C 43 39.940 39.940 39.146 0.794 25476 9046 1 14 . 1 1 43 43 ASN H H 43 7.280 7.280 8.063 -0.783 25476 9047 1 14 . 1 1 44 44 VAL N N 44 121.350 121.350 114.526 6.824 25476 9048 1 14 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.238 -0.118 25476 9049 1 14 . 1 1 44 44 VAL C C 44 175.460 175.460 175.637 -0.177 25476 9050 1 14 . 1 1 44 44 VAL CA C 44 61.930 61.930 61.894 0.036 25476 9051 1 14 . 1 1 44 44 VAL CB C 44 31.630 31.630 31.148 0.482 25476 9052 1 14 . 1 1 44 44 VAL H H 44 8.520 8.520 8.504 0.016 25476 9053 1 14 . 1 1 45 45 LYS N N 45 123.190 123.190 120.669 2.521 25476 9054 1 14 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.304 -0.094 25476 9055 1 14 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.080 1.000 25476 9056 1 14 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.647 -0.147 25476 9057 1 14 . 1 1 45 45 LYS H H 45 8.100 8.100 8.550 -0.450 25476 9058 1 14 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.442 -0.072 25476 9059 1 14 . 1 1 46 46 PRO C C 46 174.380 174.380 175.844 -1.464 25476 9060 1 14 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.464 0.596 25476 9061 1 14 . 1 1 46 46 PRO CB C 46 31.660 31.660 31.854 -0.194 25476 9062 1 14 . 1 1 47 47 ALA N N 47 124.500 124.500 122.308 2.192 25476 9063 1 14 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.225 0.245 25476 9064 1 14 . 1 1 47 47 ALA C C 47 176.130 176.130 177.187 -1.057 25476 9065 1 14 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.870 -1.130 25476 9066 1 14 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.283 -0.983 25476 9067 1 14 . 1 1 47 47 ALA H H 47 8.300 8.300 8.298 0.002 25476 9068 1 14 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.258 -0.448 25476 9069 1 14 . 1 1 48 48 PRO C C 48 178.270 178.270 178.111 0.159 25476 9070 1 14 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.984 1.166 25476 9071 1 14 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.066 -0.076 25476 9072 1 14 . 1 1 49 49 GLU N N 49 116.300 116.300 116.727 -0.427 25476 9073 1 14 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.071 0.219 25476 9074 1 14 . 1 1 49 49 GLU C C 49 176.550 176.550 176.756 -0.206 25476 9075 1 14 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.238 -0.118 25476 9076 1 14 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.626 -0.336 25476 9077 1 14 . 1 1 49 49 GLU H H 49 9.390 9.390 8.647 0.743 25476 9078 1 14 . 1 1 50 50 LYS N N 50 120.030 120.030 118.631 1.399 25476 9079 1 14 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.271 0.189 25476 9080 1 14 . 1 1 50 50 LYS C C 50 175.070 175.070 175.938 -0.868 25476 9081 1 14 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.094 -0.424 25476 9082 1 14 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.153 1.017 25476 9083 1 14 . 1 1 50 50 LYS H H 50 8.350 8.350 7.651 0.699 25476 9084 1 14 . 1 1 51 51 ARG N N 51 119.720 119.720 121.792 -2.072 25476 9085 1 14 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.099 0.201 25476 9086 1 14 . 1 1 51 51 ARG C C 51 174.530 174.530 174.621 -0.091 25476 9087 1 14 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.404 0.286 25476 9088 1 14 . 1 1 51 51 ARG CB C 51 32.000 32.000 30.413 1.587 25476 9089 1 14 . 1 1 51 51 ARG H H 51 7.220 7.220 7.216 0.004 25476 9090 1 14 . 1 1 52 52 GLU N N 52 119.700 119.700 122.472 -2.772 25476 9091 1 14 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.024 0.666 25476 9092 1 14 . 1 1 52 52 GLU C C 52 175.260 175.260 174.528 0.732 25476 9093 1 14 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.615 0.115 25476 9094 1 14 . 1 1 52 52 GLU H H 52 8.690 8.690 8.050 0.640 25476 9095 1 14 . 1 1 53 53 PHE N N 53 116.950 116.950 117.681 -0.731 25476 9096 1 14 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.780 0.380 25476 9097 1 14 . 1 1 53 53 PHE C C 53 174.970 174.970 174.777 0.193 25476 9098 1 14 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.288 1.672 25476 9099 1 14 . 1 1 53 53 PHE CB C 53 44.210 44.210 41.990 2.220 25476 9100 1 14 . 1 1 53 53 PHE H H 53 8.590 8.590 8.354 0.236 25476 9101 1 14 . 1 1 54 54 TRP N N 54 123.100 123.100 120.908 2.192 25476 9102 1 14 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.814 1.086 25476 9103 1 14 . 1 1 54 54 TRP C C 54 177.820 177.820 176.035 1.785 25476 9104 1 14 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.677 -1.437 25476 9105 1 14 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.135 1.735 25476 9106 1 14 . 1 1 54 54 TRP H H 54 9.520 9.520 8.894 0.626 25476 9107 1 14 . 1 1 55 55 GLY N N 55 110.840 110.840 110.326 0.514 25476 9108 1 14 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.755 1.485 25476 9109 1 14 . 1 1 55 55 GLY H H 55 9.550 9.550 8.430 1.120 25476 9110 1 14 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.440 0.770 25476 9111 1 14 . 1 1 57 57 TRP CA C 57 57.700 57.700 56.072 1.628 25476 9112 1 14 . 1 1 58 58 MET N N 58 122.630 122.630 124.374 -1.744 25476 9113 1 14 . 1 1 58 58 MET HA H 58 4.370 4.370 4.841 -0.471 25476 9114 1 14 . 1 1 58 58 MET CA C 58 55.230 55.230 54.532 0.698 25476 9115 1 14 . 1 1 58 58 MET CB C 58 35.910 35.910 33.905 2.005 25476 9116 1 14 . 1 1 58 58 MET H H 58 9.680 9.680 8.576 1.104 25476 9117 1 14 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.653 0.777 25476 9118 1 14 . 1 1 59 59 GLU C C 59 175.570 175.570 175.111 0.459 25476 9119 1 14 . 1 1 59 59 GLU CA C 59 54.260 54.260 55.281 -1.021 25476 9120 1 14 . 1 1 60 60 LEU N N 60 126.920 126.920 122.549 4.371 25476 9121 1 14 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.930 1.130 25476 9122 1 14 . 1 1 60 60 LEU C C 60 176.470 176.470 175.188 1.282 25476 9123 1 14 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.337 -0.727 25476 9124 1 14 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.069 2.411 25476 9125 1 14 . 1 1 60 60 LEU H H 60 9.610 9.610 8.468 1.142 25476 9126 1 14 . 1 1 61 61 GLU N N 61 123.560 123.560 120.991 2.569 25476 9127 1 14 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.609 0.571 25476 9128 1 14 . 1 1 61 61 GLU C C 61 174.930 174.930 175.559 -0.629 25476 9129 1 14 . 1 1 61 61 GLU CA C 61 55.050 55.050 55.138 -0.088 25476 9130 1 14 . 1 1 61 61 GLU CB C 61 32.200 32.200 32.606 -0.406 25476 9131 1 14 . 1 1 61 61 GLU H H 61 9.070 9.070 8.068 1.002 25476 9132 1 14 . 1 1 62 62 ALA N N 62 129.830 129.830 129.633 0.197 25476 9133 1 14 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.512 -0.392 25476 9134 1 14 . 1 1 62 62 ALA C C 62 175.760 175.760 177.022 -1.262 25476 9135 1 14 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.694 -0.014 25476 9136 1 14 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.963 2.367 25476 9137 1 14 . 1 1 62 62 ALA H H 62 9.030 9.030 8.668 0.362 25476 9138 1 14 . 1 1 63 63 GLN N N 63 122.550 122.550 123.499 -0.949 25476 9139 1 14 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.181 0.569 25476 9140 1 14 . 1 1 63 63 GLN C C 63 175.470 175.470 177.620 -2.150 25476 9141 1 14 . 1 1 63 63 GLN CA C 63 53.940 53.940 55.019 -1.079 25476 9142 1 14 . 1 1 63 63 GLN CB C 63 29.650 29.650 29.667 -0.017 25476 9143 1 14 . 1 1 63 63 GLN H H 63 8.170 8.170 7.727 0.443 25476 9144 1 14 . 1 1 64 64 GLU N N 64 120.760 120.760 120.640 0.120 25476 9145 1 14 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.056 -0.506 25476 9146 1 14 . 1 1 64 64 GLU C C 64 176.740 176.740 176.505 0.235 25476 9147 1 14 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.135 2.205 25476 9148 1 14 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.834 -0.214 25476 9149 1 14 . 1 1 64 64 GLU H H 64 8.730 8.730 8.472 0.258 25476 9150 1 14 . 1 1 65 65 LYS N N 65 112.820 112.820 116.482 -3.662 25476 9151 1 14 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.313 0.317 25476 9152 1 14 . 1 1 65 65 LYS C C 65 175.960 175.960 174.991 0.969 25476 9153 1 14 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.006 -0.216 25476 9154 1 14 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.040 1.260 25476 9155 1 14 . 1 1 65 65 LYS H H 65 8.750 8.750 7.932 0.818 25476 9156 1 14 . 1 1 66 66 ARG N N 66 115.100 115.100 117.766 -2.666 25476 9157 1 14 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.589 0.711 25476 9158 1 14 . 1 1 66 66 ARG C C 66 172.980 172.980 173.485 -0.505 25476 9159 1 14 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.807 -2.277 25476 9160 1 14 . 1 1 66 66 ARG CB C 66 33.000 33.000 34.046 -1.046 25476 9161 1 14 . 1 1 66 66 ARG H H 66 7.520 7.520 7.142 0.378 25476 9162 1 14 . 1 1 67 67 PHE N N 67 119.960 119.960 116.911 3.049 25476 9163 1 14 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.934 0.806 25476 9164 1 14 . 1 1 67 67 PHE C C 67 176.040 176.040 174.150 1.890 25476 9165 1 14 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.002 -0.882 25476 9166 1 14 . 1 1 67 67 PHE CB C 67 41.950 41.950 43.789 -1.839 25476 9167 1 14 . 1 1 67 67 PHE H H 67 9.220 9.220 9.196 0.024 25476 9168 1 14 . 1 1 68 68 THR N N 68 111.030 111.030 111.506 -0.476 25476 9169 1 14 . 1 1 68 68 THR HA H 68 6.310 6.310 4.847 1.463 25476 9170 1 14 . 1 1 68 68 THR C C 68 175.340 175.340 172.724 2.616 25476 9171 1 14 . 1 1 68 68 THR CA C 68 57.990 57.990 59.782 -1.792 25476 9172 1 14 . 1 1 68 68 THR CB C 68 70.260 70.260 71.750 -1.490 25476 9173 1 14 . 1 1 68 68 THR H H 68 9.200 9.200 8.189 1.011 25476 9174 1 14 . 1 1 69 69 TYR N N 69 115.700 115.700 119.742 -4.042 25476 9175 1 14 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.798 1.292 25476 9176 1 14 . 1 1 69 69 TYR C C 69 173.310 173.310 173.828 -0.518 25476 9177 1 14 . 1 1 69 69 TYR CA C 69 55.500 55.500 57.906 -2.406 25476 9178 1 14 . 1 1 69 69 TYR CB C 69 44.600 44.600 42.979 1.621 25476 9179 1 14 . 1 1 69 69 TYR H H 69 8.190 8.190 8.608 -0.418 25476 9180 1 14 . 1 1 70 70 ARG N N 70 115.070 115.070 119.698 -4.628 25476 9181 1 14 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.544 0.966 25476 9182 1 14 . 1 1 70 70 ARG C C 70 175.220 175.220 174.361 0.859 25476 9183 1 14 . 1 1 70 70 ARG CA C 70 55.150 55.150 55.329 -0.179 25476 9184 1 14 . 1 1 70 70 ARG CB C 70 32.780 32.780 31.993 0.787 25476 9185 1 14 . 1 1 70 70 ARG H H 70 8.160 8.160 8.467 -0.307 25476 9186 1 14 . 1 1 71 71 TYR N N 71 118.750 118.750 118.294 0.456 25476 9187 1 14 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.416 -0.296 25476 9188 1 14 . 1 1 71 71 TYR H H 71 9.220 9.220 7.829 1.391 25476 9189 1 14 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.615 -0.195 25476 9190 1 14 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.786 0.064 25476 9191 1 14 . 1 1 72 72 GLN CB C 72 30.990 30.990 32.467 -1.477 25476 9192 1 14 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.568 1.262 25476 9193 1 14 . 1 1 73 73 PHE C C 73 177.280 177.280 175.830 1.450 25476 9194 1 14 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.761 -4.081 25476 9195 1 14 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.416 -0.617 25476 9196 1 14 . 1 1 74 74 GLY N N 74 108.520 108.520 111.709 -3.189 25476 9197 1 14 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.469 2.011 25476 9198 1 14 . 1 1 74 74 GLY H H 74 9.350 9.350 7.910 1.440 25476 9199 1 14 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.080 0.290 25476 9200 1 14 . 1 1 75 75 LEU C C 75 174.270 174.270 174.935 -0.665 25476 9201 1 14 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.230 -0.439 25476 9202 1 14 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.163 0.697 25476 9203 1 14 . 1 1 76 76 PHE N N 76 135.230 135.230 126.236 8.994 25476 9204 1 14 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.154 -0.814 25476 9205 1 14 . 1 1 76 76 PHE C C 76 174.690 174.690 173.840 0.850 25476 9206 1 14 . 1 1 76 76 PHE CA C 76 56.900 56.900 55.934 0.966 25476 9207 1 14 . 1 1 76 76 PHE H H 76 9.840 9.840 9.310 0.530 25476 9208 1 14 . 1 1 77 77 ASP N N 77 125.580 125.580 126.741 -1.161 25476 9209 1 14 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.450 -0.120 25476 9210 1 14 . 1 1 77 77 ASP C C 77 178.310 178.310 176.297 2.013 25476 9211 1 14 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.213 0.537 25476 9212 1 14 . 1 1 77 77 ASP CB C 77 42.460 42.460 42.462 -0.002 25476 9213 1 14 . 1 1 77 77 ASP H H 77 7.940 7.940 8.016 -0.076 25476 9214 1 14 . 1 1 78 78 LYS N N 78 116.610 116.610 117.755 -1.145 25476 9215 1 14 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.793 0.297 25476 9216 1 14 . 1 1 78 78 LYS C C 78 176.910 176.910 178.030 -1.120 25476 9217 1 14 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.997 -1.417 25476 9218 1 14 . 1 1 78 78 LYS CB C 78 31.030 31.030 31.988 -0.958 25476 9219 1 14 . 1 1 78 78 LYS H H 78 9.030 9.030 8.359 0.671 25476 9220 1 14 . 1 1 79 79 GLU N N 79 120.510 120.510 119.077 1.433 25476 9221 1 14 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.048 0.212 25476 9222 1 14 . 1 1 79 79 GLU C C 79 176.160 176.160 176.999 -0.839 25476 9223 1 14 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.407 -1.077 25476 9224 1 14 . 1 1 79 79 GLU CB C 79 29.420 29.420 28.902 0.518 25476 9225 1 14 . 1 1 79 79 GLU H H 79 7.850 7.850 7.973 -0.123 25476 9226 1 14 . 1 1 80 80 GLY N N 80 109.610 109.610 107.647 1.963 25476 9227 1 14 . 1 1 80 80 GLY C C 80 172.820 172.820 174.166 -1.346 25476 9228 1 14 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.472 -0.092 25476 9229 1 14 . 1 1 80 80 GLY H H 80 7.800 7.800 7.846 -0.046 25476 9230 1 14 . 1 1 81 81 ASN N N 81 117.680 117.680 118.162 -0.482 25476 9231 1 14 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.619 0.091 25476 9232 1 14 . 1 1 81 81 ASN C C 81 174.110 174.110 174.706 -0.596 25476 9233 1 14 . 1 1 81 81 ASN CA C 81 51.160 51.160 51.958 -0.798 25476 9234 1 14 . 1 1 81 81 ASN CB C 81 40.160 40.160 40.415 -0.255 25476 9235 1 14 . 1 1 81 81 ASN H H 81 7.560 7.560 8.062 -0.502 25476 9236 1 14 . 1 1 82 82 TRP N N 82 122.870 122.870 121.650 1.220 25476 9237 1 14 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.457 0.693 25476 9238 1 14 . 1 1 82 82 TRP C C 82 177.480 177.480 175.605 1.875 25476 9239 1 14 . 1 1 82 82 TRP CA C 82 57.260 57.260 56.434 0.826 25476 9240 1 14 . 1 1 82 82 TRP H H 82 8.480 8.480 7.446 1.034 25476 9241 1 14 . 1 1 83 83 THR N N 83 118.050 118.050 121.168 -3.118 25476 9242 1 14 . 1 1 83 83 THR HA H 83 4.820 4.820 4.589 0.231 25476 9243 1 14 . 1 1 83 83 THR C C 83 173.630 173.630 173.693 -0.063 25476 9244 1 14 . 1 1 83 83 THR CA C 83 60.470 60.470 61.825 -1.355 25476 9245 1 14 . 1 1 83 83 THR CB C 83 72.050 72.050 71.500 0.550 25476 9246 1 14 . 1 1 83 83 THR H H 83 9.280 9.280 8.780 0.500 25476 9247 1 14 . 1 1 84 84 VAL N N 84 125.990 125.990 124.030 1.960 25476 9248 1 14 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.355 0.175 25476 9249 1 14 . 1 1 84 84 VAL C C 84 175.440 175.440 175.497 -0.057 25476 9250 1 14 . 1 1 84 84 VAL CA C 84 64.280 64.280 62.681 1.599 25476 9251 1 14 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.414 0.216 25476 9252 1 14 . 1 1 84 84 VAL H H 84 9.100 9.100 8.460 0.640 25476 9253 1 14 . 1 1 85 85 VAL N N 85 124.640 124.640 125.274 -0.634 25476 9254 1 14 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.826 0.144 25476 9255 1 14 . 1 1 85 85 VAL CA C 85 58.050 58.050 58.946 -0.896 25476 9256 1 14 . 1 1 85 85 VAL CB C 85 35.190 35.190 33.416 1.774 25476 9257 1 14 . 1 1 85 85 VAL H H 85 7.430 7.430 8.208 -0.778 25476 9258 1 14 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.578 -0.098 25476 9259 1 14 . 1 1 86 86 PRO C C 86 175.970 175.970 175.763 0.207 25476 9260 1 14 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.934 -0.014 25476 9261 1 14 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.222 -0.292 25476 9262 1 14 . 1 1 87 87 ILE N N 87 123.980 123.980 121.460 2.520 25476 9263 1 14 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.379 0.541 25476 9264 1 14 . 1 1 87 87 ILE C C 87 175.510 175.510 176.196 -0.686 25476 9265 1 14 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.918 0.202 25476 9266 1 14 . 1 1 87 87 ILE CB C 87 37.550 37.550 38.541 -0.992 25476 9267 1 14 . 1 1 87 87 ILE H H 87 8.500 8.500 8.163 0.337 25476 9268 1 14 . 1 1 88 88 ASN N N 88 119.050 119.050 121.747 -2.697 25476 9269 1 14 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.537 -0.177 25476 9270 1 14 . 1 1 88 88 ASN CA C 88 52.210 52.210 53.283 -1.073 25476 9271 1 14 . 1 1 88 88 ASN CB C 88 37.740 37.740 38.953 -1.213 25476 9272 1 14 . 1 1 88 88 ASN H H 88 8.390 8.390 7.865 0.525 25476 9273 1 14 . 1 1 90 90 THR HA H 90 3.800 3.800 3.946 -0.146 25476 9274 1 14 . 1 1 90 90 THR C C 90 175.860 175.860 175.841 0.019 25476 9275 1 14 . 1 1 90 90 THR CA C 90 66.300 66.300 66.465 -0.165 25476 9276 1 14 . 1 1 90 90 THR CB C 90 68.380 68.380 68.682 -0.302 25476 9277 1 14 . 1 1 91 91 GLU N N 91 120.430 120.430 119.654 0.776 25476 9278 1 14 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.079 0.031 25476 9279 1 14 . 1 1 91 91 GLU C C 91 179.320 179.320 178.762 0.558 25476 9280 1 14 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.007 0.453 25476 9281 1 14 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.741 0.298 25476 9282 1 14 . 1 1 91 91 GLU H H 91 9.440 9.440 8.760 0.680 25476 9283 1 14 . 1 1 92 92 VAL N N 92 119.810 119.810 119.349 0.461 25476 9284 1 14 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.828 -0.208 25476 9285 1 14 . 1 1 92 92 VAL C C 92 177.270 177.270 177.968 -0.698 25476 9286 1 14 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.992 -0.042 25476 9287 1 14 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.723 -0.243 25476 9288 1 14 . 1 1 92 92 VAL H H 92 7.010 7.010 8.051 -1.041 25476 9289 1 14 . 1 1 93 93 VAL N N 93 120.570 120.570 120.773 -0.203 25476 9290 1 14 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.596 -0.306 25476 9291 1 14 . 1 1 93 93 VAL C C 93 177.970 177.970 177.743 0.227 25476 9292 1 14 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.541 0.809 25476 9293 1 14 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.783 -0.323 25476 9294 1 14 . 1 1 93 93 VAL H H 93 7.720 7.720 7.364 0.356 25476 9295 1 14 . 1 1 94 94 GLU N N 94 118.100 118.100 118.409 -0.309 25476 9296 1 14 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.012 0.098 25476 9297 1 14 . 1 1 94 94 GLU C C 94 179.420 179.420 178.980 0.440 25476 9298 1 14 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.682 -0.032 25476 9299 1 14 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.261 0.129 25476 9300 1 14 . 1 1 94 94 GLU H H 94 8.320 8.320 8.131 0.189 25476 9301 1 14 . 1 1 95 95 ARG N N 95 120.330 120.330 120.484 -0.154 25476 9302 1 14 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.239 0.131 25476 9303 1 14 . 1 1 95 95 ARG C C 95 179.510 179.510 178.828 0.682 25476 9304 1 14 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.346 -0.806 25476 9305 1 14 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.554 0.066 25476 9306 1 14 . 1 1 95 95 ARG H H 95 7.350 7.350 7.769 -0.419 25476 9307 1 14 . 1 1 96 96 LEU N N 96 124.600 124.600 120.161 4.439 25476 9308 1 14 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.444 -0.614 25476 9309 1 14 . 1 1 96 96 LEU C C 96 177.600 177.600 179.333 -1.733 25476 9310 1 14 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.762 1.528 25476 9311 1 14 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.007 -1.407 25476 9312 1 14 . 1 1 96 96 LEU H H 96 8.600 8.600 7.712 0.888 25476 9313 1 14 . 1 1 97 97 GLU N N 97 118.190 118.190 119.525 -1.335 25476 9314 1 14 . 1 1 97 97 GLU HA H 97 3.740 3.740 3.998 -0.258 25476 9315 1 14 . 1 1 97 97 GLU C C 97 177.630 177.630 179.212 -1.582 25476 9316 1 14 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.535 0.905 25476 9317 1 14 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.508 -1.288 25476 9318 1 14 . 1 1 97 97 GLU H H 97 8.540 8.540 8.108 0.432 25476 9319 1 14 . 1 1 98 98 TYR N N 98 119.160 119.160 120.145 -0.985 25476 9320 1 14 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.253 -0.183 25476 9321 1 14 . 1 1 98 98 TYR C C 98 179.010 179.010 177.127 1.883 25476 9322 1 14 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.828 0.292 25476 9323 1 14 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.517 0.273 25476 9324 1 14 . 1 1 98 98 TYR H H 98 8.380 8.380 8.123 0.257 25476 9325 1 14 . 1 1 99 99 THR N N 99 109.220 109.220 115.151 -5.931 25476 9326 1 14 . 1 1 99 99 THR HA H 99 4.310 4.310 4.009 0.301 25476 9327 1 14 . 1 1 99 99 THR C C 99 178.320 178.320 176.668 1.652 25476 9328 1 14 . 1 1 99 99 THR CA C 99 64.890 64.890 66.742 -1.851 25476 9329 1 14 . 1 1 99 99 THR CB C 99 69.810 69.810 68.949 0.861 25476 9330 1 14 . 1 1 99 99 THR H H 99 8.480 8.480 8.228 0.252 25476 9331 1 14 . 1 1 100 100 LEU N N 100 128.250 128.250 120.107 8.143 25476 9332 1 14 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.242 -0.702 25476 9333 1 14 . 1 1 100 100 LEU C C 100 177.870 177.870 178.460 -0.590 25476 9334 1 14 . 1 1 100 100 LEU CA C 100 58.200 58.200 57.922 0.278 25476 9335 1 14 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.691 0.768 25476 9336 1 14 . 1 1 100 100 LEU H H 100 8.200 8.200 7.792 0.408 25476 9337 1 14 . 1 1 101 101 ARG N N 101 118.550 118.550 119.207 -0.657 25476 9338 1 14 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.894 -0.284 25476 9339 1 14 . 1 1 101 101 ARG C C 101 178.930 178.930 178.780 0.150 25476 9340 1 14 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.441 1.019 25476 9341 1 14 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.829 -0.539 25476 9342 1 14 . 1 1 101 101 ARG H H 101 8.440 8.440 7.584 0.856 25476 9343 1 14 . 1 1 102 102 GLU N N 102 119.760 119.760 119.332 0.428 25476 9344 1 14 . 1 1 102 102 GLU HA H 102 3.920 3.920 3.989 -0.069 25476 9345 1 14 . 1 1 102 102 GLU C C 102 178.360 178.360 178.850 -0.490 25476 9346 1 14 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.587 0.363 25476 9347 1 14 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.158 0.862 25476 9348 1 14 . 1 1 102 102 GLU H H 102 7.970 7.970 7.903 0.067 25476 9349 1 14 . 1 1 103 103 PHE N N 103 119.570 119.570 121.495 -1.925 25476 9350 1 14 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.102 -0.182 25476 9351 1 14 . 1 1 103 103 PHE C C 103 175.350 175.350 177.014 -1.664 25476 9352 1 14 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.498 -0.698 25476 9353 1 14 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.467 0.073 25476 9354 1 14 . 1 1 103 103 PHE H H 103 7.630 7.630 8.310 -0.680 25476 9355 1 14 . 1 1 104 104 HIS N N 104 119.160 119.160 118.472 0.688 25476 9356 1 14 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.265 -1.235 25476 9357 1 14 . 1 1 104 104 HIS C C 104 175.460 175.460 177.522 -2.062 25476 9358 1 14 . 1 1 104 104 HIS CA C 104 60.710 60.710 60.065 0.645 25476 9359 1 14 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.939 1.791 25476 9360 1 14 . 1 1 104 104 HIS H H 104 8.800 8.800 7.830 0.970 25476 9361 1 14 . 1 1 105 105 GLU N N 105 117.900 117.900 119.142 -1.242 25476 9362 1 14 . 1 1 105 105 GLU HA H 105 3.440 3.440 4.072 -0.632 25476 9363 1 14 . 1 1 105 105 GLU C C 105 177.990 177.990 178.586 -0.596 25476 9364 1 14 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.031 0.579 25476 9365 1 14 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.621 -0.321 25476 9366 1 14 . 1 1 105 105 GLU H H 105 7.890 7.890 7.572 0.318 25476 9367 1 14 . 1 1 106 106 LYS N N 106 117.260 117.260 119.354 -2.094 25476 9368 1 14 . 1 1 106 106 LYS HA H 106 3.970 3.970 3.952 0.018 25476 9369 1 14 . 1 1 106 106 LYS C C 106 179.570 179.570 178.833 0.737 25476 9370 1 14 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.972 -0.263 25476 9371 1 14 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.001 0.779 25476 9372 1 14 . 1 1 106 106 LYS H H 106 6.870 6.870 7.850 -0.980 25476 9373 1 14 . 1 1 107 107 LEU N N 107 123.180 123.180 121.008 2.172 25476 9374 1 14 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.944 -0.494 25476 9375 1 14 . 1 1 107 107 LEU C C 107 177.170 177.170 178.404 -1.234 25476 9376 1 14 . 1 1 107 107 LEU CA C 107 57.340 57.340 56.375 0.965 25476 9377 1 14 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.770 0.470 25476 9378 1 14 . 1 1 107 107 LEU H H 107 8.020 8.020 7.617 0.403 25476 9379 1 14 . 1 1 108 108 ARG N N 108 120.070 120.070 119.673 0.397 25476 9380 1 14 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.734 -0.324 25476 9381 1 14 . 1 1 108 108 ARG C C 108 178.460 178.460 178.641 -0.181 25476 9382 1 14 . 1 1 108 108 ARG CA C 108 59.640 59.640 59.647 -0.007 25476 9383 1 14 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.296 -0.086 25476 9384 1 14 . 1 1 108 108 ARG H H 108 8.680 8.680 7.332 1.348 25476 9385 1 14 . 1 1 109 109 ASP N N 109 119.480 119.480 119.156 0.324 25476 9386 1 14 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.346 -0.036 25476 9387 1 14 . 1 1 109 109 ASP C C 109 178.900 178.900 178.501 0.399 25476 9388 1 14 . 1 1 109 109 ASP CA C 109 57.140 57.140 56.931 0.209 25476 9389 1 14 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.459 -0.589 25476 9390 1 14 . 1 1 109 109 ASP H H 109 7.890 7.890 7.459 0.431 25476 9391 1 14 . 1 1 110 110 LEU N N 110 122.740 122.740 120.848 1.892 25476 9392 1 14 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.965 0.135 25476 9393 1 14 . 1 1 110 110 LEU C C 110 179.830 179.830 178.747 1.083 25476 9394 1 14 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.867 -0.187 25476 9395 1 14 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.966 -0.676 25476 9396 1 14 . 1 1 110 110 LEU H H 110 7.650 7.650 7.202 0.448 25476 9397 1 14 . 1 1 111 111 LEU N N 111 122.170 122.170 118.977 3.193 25476 9398 1 14 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.971 -0.141 25476 9399 1 14 . 1 1 111 111 LEU C C 111 179.990 179.990 179.165 0.825 25476 9400 1 14 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.273 0.338 25476 9401 1 14 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.514 -2.134 25476 9402 1 14 . 1 1 111 111 LEU H H 111 8.320 8.320 7.920 0.400 25476 9403 1 14 . 1 1 112 112 ILE N N 112 122.490 122.490 117.599 4.891 25476 9404 1 14 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.763 0.207 25476 9405 1 14 . 1 1 112 112 ILE C C 112 180.930 180.930 177.495 3.435 25476 9406 1 14 . 1 1 112 112 ILE CA C 112 64.660 64.660 64.861 -0.201 25476 9407 1 14 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.814 -0.494 25476 9408 1 14 . 1 1 112 112 ILE H H 112 8.790 8.790 8.158 0.632 25476 9409 1 14 . 1 1 113 113 SER N N 113 119.860 119.860 114.259 5.601 25476 9410 1 14 . 1 1 113 113 SER HA H 113 4.400 4.400 4.294 0.106 25476 9411 1 14 . 1 1 113 113 SER C C 113 174.520 174.520 175.604 -1.084 25476 9412 1 14 . 1 1 113 113 SER CA C 113 61.390 61.390 60.281 1.109 25476 9413 1 14 . 1 1 113 113 SER CB C 113 62.630 62.630 63.529 -0.899 25476 9414 1 14 . 1 1 113 113 SER H H 113 7.720 7.720 7.720 -0.000 25476 9415 1 14 . 1 1 114 114 MET N N 114 121.890 121.890 116.386 5.504 25476 9416 1 14 . 1 1 114 114 MET HA H 114 4.530 4.530 4.694 -0.164 25476 9417 1 14 . 1 1 114 114 MET C C 114 173.850 173.850 175.605 -1.755 25476 9418 1 14 . 1 1 114 114 MET CA C 114 55.330 55.330 55.257 0.073 25476 9419 1 14 . 1 1 114 114 MET CB C 114 34.040 34.040 33.791 0.249 25476 9420 1 14 . 1 1 114 114 MET H H 114 7.480 7.480 7.236 0.244 25476 9421 1 14 . 1 1 115 115 GLU N N 115 114.160 114.160 116.521 -2.361 25476 9422 1 14 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.971 -0.071 25476 9423 1 14 . 1 1 115 115 GLU C C 115 174.880 174.880 175.098 -0.218 25476 9424 1 14 . 1 1 115 115 GLU CA C 115 57.270 57.270 57.099 0.171 25476 9425 1 14 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.481 -0.971 25476 9426 1 14 . 1 1 115 115 GLU H H 115 8.110 8.110 7.947 0.163 25476 9427 1 14 . 1 1 116 116 LEU N N 116 119.870 119.870 121.026 -1.156 25476 9428 1 14 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.564 0.096 25476 9429 1 14 . 1 1 116 116 LEU C C 116 174.910 174.910 175.844 -0.934 25476 9430 1 14 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.378 -0.278 25476 9431 1 14 . 1 1 116 116 LEU CB C 116 45.570 45.570 42.413 3.157 25476 9432 1 14 . 1 1 116 116 LEU H H 116 7.970 7.970 8.323 -0.353 25476 9433 1 14 . 1 1 117 117 ALA N N 117 123.730 123.730 128.042 -4.312 25476 9434 1 14 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.625 -0.175 25476 9435 1 14 . 1 1 117 117 ALA C C 117 174.870 174.870 175.672 -0.802 25476 9436 1 14 . 1 1 117 117 ALA CA C 117 50.870 50.870 51.184 -0.314 25476 9437 1 14 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.175 0.525 25476 9438 1 14 . 1 1 117 117 ALA H H 117 7.530 7.530 8.568 -1.038 25476 9439 1 14 . 1 1 118 118 LEU N N 118 121.610 121.610 120.268 1.342 25476 9440 1 14 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.787 -0.307 25476 9441 1 14 . 1 1 118 118 LEU C C 118 175.560 175.560 176.293 -0.733 25476 9442 1 14 . 1 1 118 118 LEU CA C 118 53.840 53.840 53.626 0.214 25476 9443 1 14 . 1 1 118 118 LEU CB C 118 43.490 43.490 44.979 -1.489 25476 9444 1 14 . 1 1 118 118 LEU H H 118 8.250 8.250 8.414 -0.164 25476 9445 1 14 . 1 1 119 119 GLU N N 119 127.300 127.300 120.777 6.523 25476 9446 1 14 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.958 0.162 25476 9447 1 14 . 1 1 119 119 GLU C C 119 171.510 171.510 174.230 -2.720 25476 9448 1 14 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.725 -0.755 25476 9449 1 14 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.588 0.282 25476 9450 1 14 . 1 1 119 119 GLU H H 119 8.730 8.730 8.503 0.227 25476 9451 1 14 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.741 -0.171 25476 9452 1 14 . 1 1 120 120 PRO C C 120 176.420 176.420 176.811 -0.391 25476 9453 1 14 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.469 -0.709 25476 9454 1 14 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.580 -0.190 25476 9455 1 14 . 1 1 121 121 SER N N 121 117.040 117.040 115.667 1.373 25476 9456 1 14 . 1 1 121 121 SER HA H 121 4.060 4.060 4.650 -0.590 25476 9457 1 14 . 1 1 121 121 SER C C 121 175.150 175.150 175.068 0.082 25476 9458 1 14 . 1 1 121 121 SER CA C 121 59.230 59.230 57.728 1.502 25476 9459 1 14 . 1 1 121 121 SER CB C 121 62.970 62.970 64.386 -1.416 25476 9460 1 14 . 1 1 121 121 SER H H 121 8.690 8.690 8.531 0.159 25476 9461 1 14 . 1 1 122 122 ASP N N 122 124.140 124.140 124.188 -0.048 25476 9462 1 14 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.462 -0.092 25476 9463 1 14 . 1 1 122 122 ASP C C 122 176.240 176.240 176.508 -0.268 25476 9464 1 14 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.619 0.481 25476 9465 1 14 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.745 -0.555 25476 9466 1 14 . 1 1 122 122 ASP H H 122 8.830 8.830 8.993 -0.163 25476 9467 1 14 . 1 1 123 123 ASP N N 123 115.720 115.720 118.093 -2.373 25476 9468 1 14 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.672 -0.052 25476 9469 1 14 . 1 1 123 123 ASP C C 123 174.850 174.850 175.258 -0.408 25476 9470 1 14 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.670 -0.880 25476 9471 1 14 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.890 -0.620 25476 9472 1 14 . 1 1 123 123 ASP H H 123 8.210 8.210 8.154 0.056 25476 9473 1 14 . 1 1 124 124 PHE N N 124 122.440 122.440 119.176 3.264 25476 9474 1 14 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.686 0.344 25476 9475 1 14 . 1 1 124 124 PHE C C 124 174.040 174.040 174.217 -0.177 25476 9476 1 14 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.556 -1.516 25476 9477 1 14 . 1 1 124 124 PHE CB C 124 42.170 42.170 41.455 0.715 25476 9478 1 14 . 1 1 124 124 PHE H H 124 8.060 8.060 7.641 0.419 25476 9479 1 14 . 1 1 125 125 ASN N N 125 126.850 126.850 123.683 3.167 25476 9480 1 14 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.634 0.106 25476 9481 1 14 . 1 1 125 125 ASN C C 125 175.070 175.070 174.084 0.986 25476 9482 1 14 . 1 1 125 125 ASN CA C 125 53.430 53.430 52.891 0.539 25476 9483 1 14 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.673 0.057 25476 9484 1 14 . 1 1 125 125 ASN H H 125 7.700 7.700 8.012 -0.312 25476 9485 1 14 . 1 1 126 126 ASP N N 126 120.330 120.330 120.232 0.098 25476 9486 1 14 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.821 -0.691 25476 9487 1 14 . 1 1 126 126 ASP C C 126 176.280 176.280 175.600 0.680 25476 9488 1 14 . 1 1 126 126 ASP CA C 126 56.030 56.030 54.375 1.655 25476 9489 1 14 . 1 1 126 126 ASP CB C 126 39.100 39.100 41.351 -2.251 25476 9490 1 14 . 1 1 126 126 ASP H H 126 7.300 7.300 8.486 -1.186 25476 9491 1 14 . 1 1 127 127 GLU N N 127 127.840 127.840 121.858 5.982 25476 9492 1 14 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.635 -0.275 25476 9493 1 14 . 1 1 127 127 GLU CA C 127 55.470 55.470 55.209 0.261 25476 9494 1 14 . 1 1 127 127 GLU H H 127 8.320 8.320 8.365 -0.045 25476 9495 1 14 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.268 0.402 25476 9496 1 14 . 1 1 128 128 PRO C C 128 176.010 176.010 175.555 0.455 25476 9497 1 14 . 1 1 128 128 PRO CA C 128 63.630 63.630 63.006 0.624 25476 9498 1 14 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.510 -0.570 25476 9499 1 14 . 1 1 129 129 VAL N N 129 122.940 122.940 115.560 7.380 25476 9500 1 14 . 1 1 129 129 VAL HA H 129 3.990 3.990 4.261 -0.271 25476 9501 1 14 . 1 1 129 129 VAL C C 129 173.650 173.650 175.370 -1.720 25476 9502 1 14 . 1 1 129 129 VAL CA C 129 60.980 60.980 60.615 0.365 25476 9503 1 14 . 1 1 129 129 VAL CB C 129 32.130 32.130 33.578 -1.448 25476 9504 1 14 . 1 1 129 129 VAL H H 129 7.990 7.990 7.941 0.049 25476 9505 1 14 . 1 1 130 130 LYS N N 130 124.620 124.620 124.688 -0.068 25476 9506 1 14 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.300 0.210 25476 9507 1 14 . 1 1 130 130 LYS C C 130 174.900 174.900 176.298 -1.398 25476 9508 1 14 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.048 -2.898 25476 9509 1 14 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.693 2.817 25476 9510 1 14 . 1 1 130 130 LYS H H 130 8.240 8.240 8.625 -0.385 25476 9511 1 14 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.253 -0.453 25476 9512 1 14 . 1 1 131 131 LEU C C 131 178.400 178.400 177.878 0.522 25476 9513 1 14 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.552 -0.502 25476 9514 1 14 . 1 1 131 131 LEU CB C 131 40.800 40.800 41.985 -1.185 25476 9515 1 14 . 1 1 132 132 SER N N 132 115.550 115.550 113.567 1.983 25476 9516 1 14 . 1 1 132 132 SER HA H 132 4.610 4.610 4.469 0.141 25476 9517 1 14 . 1 1 132 132 SER C C 132 172.970 172.970 173.249 -0.279 25476 9518 1 14 . 1 1 132 132 SER CA C 132 58.620 58.620 57.498 1.122 25476 9519 1 14 . 1 1 132 132 SER CB C 132 63.310 63.310 61.105 2.205 25476 9520 1 14 . 1 1 132 132 SER H H 132 9.070 9.070 8.244 0.826 25476 9521 1 15 . 1 1 2 2 THR N N 2 118.280 118.280 115.400 2.880 25476 9522 1 15 . 1 1 2 2 THR HA H 2 4.550 4.550 4.429 0.121 25476 9523 1 15 . 1 1 2 2 THR C C 2 174.150 174.150 175.239 -1.089 25476 9524 1 15 . 1 1 2 2 THR CA C 2 61.600 61.600 61.893 -0.293 25476 9525 1 15 . 1 1 2 2 THR CB C 2 69.970 69.970 69.970 0.000 25476 9526 1 15 . 1 1 2 2 THR H H 2 8.470 8.470 7.717 0.753 25476 9527 1 15 . 1 1 3 3 LEU N N 3 125.130 125.130 121.331 3.799 25476 9528 1 15 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.539 0.121 25476 9529 1 15 . 1 1 3 3 LEU C C 3 176.690 176.690 177.956 -1.266 25476 9530 1 15 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.737 -0.197 25476 9531 1 15 . 1 1 3 3 LEU CB C 3 40.050 40.050 40.985 -0.935 25476 9532 1 15 . 1 1 3 3 LEU H H 3 8.580 8.580 8.222 0.358 25476 9533 1 15 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.387 -0.027 25476 9534 1 15 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.980 0.490 25476 9535 1 15 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.852 0.038 25476 9536 1 15 . 1 1 5 5 SER HA H 5 4.580 4.580 4.399 0.181 25476 9537 1 15 . 1 1 5 5 SER C C 5 175.510 175.510 175.226 0.284 25476 9538 1 15 . 1 1 5 5 SER CA C 5 59.410 59.410 58.773 0.637 25476 9539 1 15 . 1 1 5 5 SER CB C 5 63.110 63.110 63.442 -0.332 25476 9540 1 15 . 1 1 6 6 GLY N N 6 112.010 112.010 107.613 4.397 25476 9541 1 15 . 1 1 6 6 GLY C C 6 173.300 173.300 173.782 -0.482 25476 9542 1 15 . 1 1 6 6 GLY CA C 6 44.530 44.530 45.167 -0.637 25476 9543 1 15 . 1 1 6 6 GLY H H 6 8.620 8.620 7.494 1.126 25476 9544 1 15 . 1 1 7 7 HIS N N 7 119.440 119.440 120.573 -1.133 25476 9545 1 15 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.998 -0.318 25476 9546 1 15 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.082 3.258 25476 9547 1 15 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.634 0.396 25476 9548 1 15 . 1 1 7 7 HIS H H 7 7.170 7.170 8.000 -0.830 25476 9549 1 15 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.502 0.288 25476 9550 1 15 . 1 1 8 8 PRO C C 8 178.140 178.140 177.117 1.023 25476 9551 1 15 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.029 -0.179 25476 9552 1 15 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.951 -0.971 25476 9553 1 15 . 1 1 9 9 LYS N N 9 127.570 127.570 127.029 0.541 25476 9554 1 15 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.183 -0.013 25476 9555 1 15 . 1 1 9 9 LYS C C 9 178.050 178.050 178.718 -0.668 25476 9556 1 15 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.594 0.236 25476 9557 1 15 . 1 1 9 9 LYS H H 9 9.000 9.000 8.797 0.203 25476 9558 1 15 . 1 1 10 10 SER N N 10 113.610 113.610 114.638 -1.028 25476 9559 1 15 . 1 1 10 10 SER HA H 10 4.120 4.120 4.244 -0.124 25476 9560 1 15 . 1 1 10 10 SER C C 10 176.750 176.750 176.718 0.032 25476 9561 1 15 . 1 1 10 10 SER CA C 10 61.050 61.050 61.322 -0.272 25476 9562 1 15 . 1 1 10 10 SER H H 10 9.170 9.170 8.517 0.653 25476 9563 1 15 . 1 1 11 11 ARG N N 11 122.220 122.220 121.672 0.548 25476 9564 1 15 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.145 0.005 25476 9565 1 15 . 1 1 11 11 ARG C C 11 177.890 177.890 178.571 -0.681 25476 9566 1 15 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.799 -0.519 25476 9567 1 15 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.642 0.368 25476 9568 1 15 . 1 1 11 11 ARG H H 11 7.100 7.100 8.421 -1.321 25476 9569 1 15 . 1 1 12 12 LEU N N 12 121.360 121.360 121.025 0.335 25476 9570 1 15 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.797 -0.227 25476 9571 1 15 . 1 1 12 12 LEU C C 12 177.890 177.890 178.538 -0.648 25476 9572 1 15 . 1 1 12 12 LEU CA C 12 56.000 56.000 57.949 -1.949 25476 9573 1 15 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.253 -1.813 25476 9574 1 15 . 1 1 12 12 LEU H H 12 7.220 7.220 7.678 -0.458 25476 9575 1 15 . 1 1 13 13 ILE N N 13 118.920 118.920 119.013 -0.093 25476 9576 1 15 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.827 -0.057 25476 9577 1 15 . 1 1 13 13 ILE C C 13 179.060 179.060 178.583 0.477 25476 9578 1 15 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.268 0.862 25476 9579 1 15 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.639 -0.209 25476 9580 1 15 . 1 1 13 13 ILE H H 13 8.590 8.590 8.554 0.036 25476 9581 1 15 . 1 1 14 14 LYS N N 14 121.950 121.950 119.389 2.561 25476 9582 1 15 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.141 -0.011 25476 9583 1 15 . 1 1 14 14 LYS C C 14 179.810 179.810 179.105 0.705 25476 9584 1 15 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.575 1.485 25476 9585 1 15 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.062 0.018 25476 9586 1 15 . 1 1 14 14 LYS H H 14 7.730 7.730 8.245 -0.515 25476 9587 1 15 . 1 1 15 15 LYS N N 15 119.750 119.750 119.284 0.466 25476 9588 1 15 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.990 0.130 25476 9589 1 15 . 1 1 15 15 LYS C C 15 179.700 179.700 179.478 0.222 25476 9590 1 15 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.112 -0.382 25476 9591 1 15 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.344 -0.395 25476 9592 1 15 . 1 1 15 15 LYS H H 15 7.800 7.800 7.920 -0.120 25476 9593 1 15 . 1 1 16 16 PHE N N 16 117.660 117.660 118.991 -1.331 25476 9594 1 15 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.309 0.451 25476 9595 1 15 . 1 1 16 16 PHE C C 16 180.960 180.960 178.134 2.826 25476 9596 1 15 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.316 -3.676 25476 9597 1 15 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.361 0.439 25476 9598 1 15 . 1 1 16 16 PHE H H 16 9.130 9.130 8.582 0.548 25476 9599 1 15 . 1 1 17 17 THR N N 17 120.130 120.130 115.818 4.312 25476 9600 1 15 . 1 1 17 17 THR HA H 17 4.370 4.370 4.010 0.360 25476 9601 1 15 . 1 1 17 17 THR C C 17 175.550 175.550 176.103 -0.553 25476 9602 1 15 . 1 1 17 17 THR CA C 17 66.840 66.840 65.951 0.889 25476 9603 1 15 . 1 1 17 17 THR CB C 17 68.920 68.920 68.462 0.458 25476 9604 1 15 . 1 1 17 17 THR H H 17 8.940 8.940 7.803 1.137 25476 9605 1 15 . 1 1 18 18 ALA N N 18 122.170 122.170 122.777 -0.607 25476 9606 1 15 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.239 0.141 25476 9607 1 15 . 1 1 18 18 ALA C C 18 178.110 178.110 177.697 0.413 25476 9608 1 15 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.852 -0.462 25476 9609 1 15 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.495 -0.196 25476 9610 1 15 . 1 1 18 18 ALA H H 18 7.310 7.310 7.921 -0.611 25476 9611 1 15 . 1 1 19 19 LEU N N 19 116.080 116.080 116.461 -0.381 25476 9612 1 15 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.488 -0.118 25476 9613 1 15 . 1 1 19 19 LEU C C 19 176.620 176.620 175.953 0.667 25476 9614 1 15 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.495 2.135 25476 9615 1 15 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.450 -0.030 25476 9616 1 15 . 1 1 19 19 LEU H H 19 7.580 7.580 8.103 -0.523 25476 9617 1 15 . 1 1 20 20 GLY N N 20 103.280 103.280 105.524 -2.244 25476 9618 1 15 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.901 -0.841 25476 9619 1 15 . 1 1 20 20 GLY H H 20 7.650 7.650 7.266 0.384 25476 9620 1 15 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.485 0.385 25476 9621 1 15 . 1 1 21 21 PRO C C 21 174.850 174.850 176.418 -1.568 25476 9622 1 15 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.478 0.662 25476 9623 1 15 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.474 -3.574 25476 9624 1 15 . 1 1 22 22 TYR N N 22 120.690 120.690 117.447 3.243 25476 9625 1 15 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.333 0.847 25476 9626 1 15 . 1 1 22 22 TYR C C 22 176.340 176.340 176.871 -0.531 25476 9627 1 15 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.687 -1.907 25476 9628 1 15 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.480 3.020 25476 9629 1 15 . 1 1 22 22 TYR H H 22 7.680 7.680 8.474 -0.794 25476 9630 1 15 . 1 1 23 23 ILE N N 23 119.130 119.130 123.307 -4.177 25476 9631 1 15 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.120 0.000 25476 9632 1 15 . 1 1 23 23 ILE C C 23 174.210 174.210 176.325 -2.115 25476 9633 1 15 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.037 0.793 25476 9634 1 15 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.498 0.002 25476 9635 1 15 . 1 1 23 23 ILE H H 23 8.860 8.860 8.773 0.087 25476 9636 1 15 . 1 1 24 24 ARG N N 24 126.540 126.540 128.067 -1.527 25476 9637 1 15 . 1 1 24 24 ARG C C 24 177.290 177.290 176.337 0.953 25476 9638 1 15 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.966 -3.876 25476 9639 1 15 . 1 1 24 24 ARG H H 24 8.100 8.100 8.734 -0.634 25476 9640 1 15 . 1 1 25 25 GLU N N 25 126.990 126.990 123.645 3.345 25476 9641 1 15 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.202 -0.102 25476 9642 1 15 . 1 1 25 25 GLU C C 25 176.780 176.780 177.102 -0.322 25476 9643 1 15 . 1 1 25 25 GLU CA C 25 60.860 60.860 57.451 3.409 25476 9644 1 15 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.644 -0.994 25476 9645 1 15 . 1 1 25 25 GLU H H 25 9.400 9.400 8.325 1.075 25476 9646 1 15 . 1 1 26 26 GLY N N 26 109.830 109.830 108.157 1.673 25476 9647 1 15 . 1 1 26 26 GLY C C 26 174.380 174.380 173.612 0.768 25476 9648 1 15 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.763 0.757 25476 9649 1 15 . 1 1 26 26 GLY H H 26 8.070 8.070 8.087 -0.017 25476 9650 1 15 . 1 1 27 27 GLN N N 27 117.670 117.670 118.960 -1.290 25476 9651 1 15 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.555 -0.245 25476 9652 1 15 . 1 1 27 27 GLN C C 27 175.350 175.350 174.917 0.433 25476 9653 1 15 . 1 1 27 27 GLN CA C 27 55.320 55.320 55.257 0.063 25476 9654 1 15 . 1 1 27 27 GLN CB C 27 29.340 29.340 28.839 0.501 25476 9655 1 15 . 1 1 27 27 GLN H H 27 7.690 7.690 8.634 -0.944 25476 9656 1 15 . 1 1 28 28 CYS N N 28 119.770 119.770 117.767 2.003 25476 9657 1 15 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.184 0.356 25476 9658 1 15 . 1 1 28 28 CYS C C 28 173.480 173.480 175.434 -1.954 25476 9659 1 15 . 1 1 28 28 CYS CA C 28 58.810 58.810 59.750 -0.940 25476 9660 1 15 . 1 1 28 28 CYS CB C 28 27.070 27.070 26.279 0.791 25476 9661 1 15 . 1 1 28 28 CYS H H 28 7.510 7.510 8.355 -0.845 25476 9662 1 15 . 1 1 29 29 GLU N N 29 124.370 124.370 119.711 4.659 25476 9663 1 15 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.262 0.278 25476 9664 1 15 . 1 1 29 29 GLU C C 29 174.810 174.810 176.089 -1.279 25476 9665 1 15 . 1 1 29 29 GLU CA C 29 55.560 55.560 56.904 -1.344 25476 9666 1 15 . 1 1 29 29 GLU CB C 29 30.030 30.030 30.395 -0.365 25476 9667 1 15 . 1 1 29 29 GLU H H 29 7.840 7.840 8.199 -0.359 25476 9668 1 15 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.629 -0.049 25476 9669 1 15 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.909 0.541 25476 9670 1 15 . 1 1 31 31 ASN CB C 31 39.200 39.200 39.208 -0.007 25476 9671 1 15 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.426 1.084 25476 9672 1 15 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.520 0.530 25476 9673 1 15 . 1 1 32 32 ARG CB C 32 33.480 33.480 31.982 1.498 25476 9674 1 15 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.654 0.586 25476 9675 1 15 . 1 1 34 34 PHE C C 34 172.210 172.210 174.717 -2.507 25476 9676 1 15 . 1 1 34 34 PHE CA C 34 57.690 57.690 57.536 0.154 25476 9677 1 15 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.209 2.891 25476 9678 1 15 . 1 1 35 35 PHE N N 35 125.800 125.800 119.220 6.580 25476 9679 1 15 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.718 0.452 25476 9680 1 15 . 1 1 35 35 PHE C C 35 173.110 173.110 174.150 -1.040 25476 9681 1 15 . 1 1 35 35 PHE CA C 35 54.860 54.860 56.898 -2.038 25476 9682 1 15 . 1 1 35 35 PHE CB C 35 43.250 43.250 43.606 -0.356 25476 9683 1 15 . 1 1 35 35 PHE H H 35 8.660 8.660 8.285 0.375 25476 9684 1 15 . 1 1 36 36 ASP N N 36 120.960 120.960 121.612 -0.652 25476 9685 1 15 . 1 1 36 36 ASP HA H 36 4.580 4.580 3.837 0.743 25476 9686 1 15 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.882 1.278 25476 9687 1 15 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.344 -0.314 25476 9688 1 15 . 1 1 36 36 ASP H H 36 9.370 9.370 8.682 0.688 25476 9689 1 15 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.500 -0.510 25476 9690 1 15 . 1 1 37 37 CYS C C 37 173.460 173.460 173.187 0.273 25476 9691 1 15 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.687 -0.077 25476 9692 1 15 . 1 1 37 37 CYS CB C 37 27.170 27.170 27.395 -0.225 25476 9693 1 15 . 1 1 38 38 LEU N N 38 131.890 131.890 128.211 3.679 25476 9694 1 15 . 1 1 38 38 LEU HA H 38 4.210 4.210 5.106 -0.896 25476 9695 1 15 . 1 1 38 38 LEU C C 38 175.570 175.570 176.435 -0.865 25476 9696 1 15 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.275 -0.745 25476 9697 1 15 . 1 1 38 38 LEU CB C 38 37.270 37.270 42.964 -5.694 25476 9698 1 15 . 1 1 38 38 LEU H H 38 8.430 8.430 8.660 -0.230 25476 9699 1 15 . 1 1 39 39 ALA N N 39 127.100 127.100 129.383 -2.283 25476 9700 1 15 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.712 -0.372 25476 9701 1 15 . 1 1 39 39 ALA C C 39 178.500 178.500 176.522 1.978 25476 9702 1 15 . 1 1 39 39 ALA CA C 39 55.380 55.380 52.531 2.849 25476 9703 1 15 . 1 1 39 39 ALA CB C 39 21.110 21.110 21.341 -0.231 25476 9704 1 15 . 1 1 39 39 ALA H H 39 7.960 7.960 8.609 -0.649 25476 9705 1 15 . 1 1 40 40 VAL N N 40 116.260 116.260 117.368 -1.108 25476 9706 1 15 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.611 0.009 25476 9707 1 15 . 1 1 40 40 VAL C C 40 173.990 173.990 174.404 -0.414 25476 9708 1 15 . 1 1 40 40 VAL CA C 40 60.940 60.940 59.876 1.064 25476 9709 1 15 . 1 1 40 40 VAL CB C 40 36.480 36.480 36.021 0.459 25476 9710 1 15 . 1 1 40 40 VAL H H 40 8.590 8.590 7.900 0.690 25476 9711 1 15 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.765 -0.885 25476 9712 1 15 . 1 1 41 41 CYS C C 41 174.640 174.640 176.012 -1.372 25476 9713 1 15 . 1 1 41 41 CYS CA C 41 59.280 59.280 58.391 0.889 25476 9714 1 15 . 1 1 41 41 CYS CB C 41 26.700 26.700 28.908 -2.208 25476 9715 1 15 . 1 1 42 42 VAL N N 42 131.320 131.320 124.276 7.044 25476 9716 1 15 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.944 -0.464 25476 9717 1 15 . 1 1 42 42 VAL C C 42 176.270 176.270 176.670 -0.400 25476 9718 1 15 . 1 1 42 42 VAL CA C 42 65.390 65.390 65.069 0.321 25476 9719 1 15 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.628 0.212 25476 9720 1 15 . 1 1 42 42 VAL H H 42 8.610 8.610 8.675 -0.065 25476 9721 1 15 . 1 1 43 43 ASN N N 43 116.070 116.070 115.003 1.067 25476 9722 1 15 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.884 -0.094 25476 9723 1 15 . 1 1 43 43 ASN C C 43 175.160 175.160 173.932 1.228 25476 9724 1 15 . 1 1 43 43 ASN CA C 43 52.690 52.690 52.847 -0.157 25476 9725 1 15 . 1 1 43 43 ASN CB C 43 39.940 39.940 41.054 -1.114 25476 9726 1 15 . 1 1 43 43 ASN H H 43 7.280 7.280 7.663 -0.383 25476 9727 1 15 . 1 1 44 44 VAL N N 44 121.350 121.350 121.012 0.338 25476 9728 1 15 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.276 -0.156 25476 9729 1 15 . 1 1 44 44 VAL C C 44 175.460 175.460 175.871 -0.411 25476 9730 1 15 . 1 1 44 44 VAL CA C 44 61.930 61.930 61.704 0.226 25476 9731 1 15 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.133 -0.503 25476 9732 1 15 . 1 1 44 44 VAL H H 44 8.520 8.520 8.467 0.053 25476 9733 1 15 . 1 1 45 45 LYS N N 45 123.190 123.190 120.966 2.224 25476 9734 1 15 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.182 0.028 25476 9735 1 15 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.521 0.559 25476 9736 1 15 . 1 1 45 45 LYS CB C 45 30.500 30.500 31.022 -0.522 25476 9737 1 15 . 1 1 45 45 LYS H H 45 8.100 8.100 8.381 -0.281 25476 9738 1 15 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.409 -0.039 25476 9739 1 15 . 1 1 46 46 PRO C C 46 174.380 174.380 175.801 -1.421 25476 9740 1 15 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.476 0.584 25476 9741 1 15 . 1 1 46 46 PRO CB C 46 31.660 31.660 32.009 -0.349 25476 9742 1 15 . 1 1 47 47 ALA N N 47 124.500 124.500 121.824 2.676 25476 9743 1 15 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.239 0.231 25476 9744 1 15 . 1 1 47 47 ALA C C 47 176.130 176.130 177.747 -1.617 25476 9745 1 15 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.714 -0.974 25476 9746 1 15 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.258 -0.958 25476 9747 1 15 . 1 1 47 47 ALA H H 47 8.300 8.300 8.325 -0.025 25476 9748 1 15 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.282 -0.472 25476 9749 1 15 . 1 1 48 48 PRO C C 48 178.270 178.270 177.548 0.722 25476 9750 1 15 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.713 1.437 25476 9751 1 15 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.148 -0.158 25476 9752 1 15 . 1 1 49 49 GLU N N 49 116.300 116.300 118.526 -2.226 25476 9753 1 15 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.189 0.101 25476 9754 1 15 . 1 1 49 49 GLU C C 49 176.550 176.550 177.069 -0.519 25476 9755 1 15 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.203 -0.083 25476 9756 1 15 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.920 -0.630 25476 9757 1 15 . 1 1 49 49 GLU H H 49 9.390 9.390 8.703 0.687 25476 9758 1 15 . 1 1 50 50 LYS N N 50 120.030 120.030 117.606 2.424 25476 9759 1 15 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.285 0.175 25476 9760 1 15 . 1 1 50 50 LYS C C 50 175.070 175.070 176.546 -1.476 25476 9761 1 15 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.720 -1.050 25476 9762 1 15 . 1 1 50 50 LYS CB C 50 33.170 33.170 31.725 1.445 25476 9763 1 15 . 1 1 50 50 LYS H H 50 8.350 8.350 7.357 0.993 25476 9764 1 15 . 1 1 51 51 ARG N N 51 119.720 119.720 120.383 -0.663 25476 9765 1 15 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.196 0.104 25476 9766 1 15 . 1 1 51 51 ARG C C 51 174.530 174.530 175.059 -0.529 25476 9767 1 15 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.123 0.566 25476 9768 1 15 . 1 1 51 51 ARG CB C 51 32.000 32.000 31.587 0.413 25476 9769 1 15 . 1 1 51 51 ARG H H 51 7.220 7.220 7.153 0.067 25476 9770 1 15 . 1 1 52 52 GLU N N 52 119.700 119.700 119.849 -0.149 25476 9771 1 15 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.240 0.450 25476 9772 1 15 . 1 1 52 52 GLU C C 52 175.260 175.260 174.727 0.533 25476 9773 1 15 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.351 0.379 25476 9774 1 15 . 1 1 52 52 GLU H H 52 8.690 8.690 8.200 0.490 25476 9775 1 15 . 1 1 53 53 PHE N N 53 116.950 116.950 118.110 -1.160 25476 9776 1 15 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.954 0.206 25476 9777 1 15 . 1 1 53 53 PHE C C 53 174.970 174.970 174.598 0.372 25476 9778 1 15 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.666 1.294 25476 9779 1 15 . 1 1 53 53 PHE CB C 53 44.210 44.210 42.367 1.843 25476 9780 1 15 . 1 1 53 53 PHE H H 53 8.590 8.590 7.822 0.768 25476 9781 1 15 . 1 1 54 54 TRP N N 54 123.100 123.100 118.783 4.317 25476 9782 1 15 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.978 0.922 25476 9783 1 15 . 1 1 54 54 TRP C C 54 177.820 177.820 176.207 1.613 25476 9784 1 15 . 1 1 54 54 TRP CA C 54 56.240 56.240 56.586 -0.346 25476 9785 1 15 . 1 1 54 54 TRP CB C 54 31.870 31.870 32.761 -0.891 25476 9786 1 15 . 1 1 54 54 TRP H H 54 9.520 9.520 9.130 0.390 25476 9787 1 15 . 1 1 55 55 GLY N N 55 110.840 110.840 106.885 3.955 25476 9788 1 15 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.209 2.031 25476 9789 1 15 . 1 1 55 55 GLY H H 55 9.550 9.550 8.448 1.102 25476 9790 1 15 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.588 0.622 25476 9791 1 15 . 1 1 57 57 TRP CA C 57 57.700 57.700 55.986 1.714 25476 9792 1 15 . 1 1 58 58 MET N N 58 122.630 122.630 124.165 -1.535 25476 9793 1 15 . 1 1 58 58 MET HA H 58 4.370 4.370 5.425 -1.055 25476 9794 1 15 . 1 1 58 58 MET CA C 58 55.230 55.230 53.729 1.501 25476 9795 1 15 . 1 1 58 58 MET CB C 58 35.910 35.910 33.996 1.914 25476 9796 1 15 . 1 1 58 58 MET H H 58 9.680 9.680 8.295 1.385 25476 9797 1 15 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.750 0.680 25476 9798 1 15 . 1 1 59 59 GLU C C 59 175.570 175.570 174.712 0.858 25476 9799 1 15 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.767 -0.506 25476 9800 1 15 . 1 1 60 60 LEU N N 60 126.920 126.920 119.470 7.450 25476 9801 1 15 . 1 1 60 60 LEU HA H 60 6.060 6.060 5.288 0.772 25476 9802 1 15 . 1 1 60 60 LEU C C 60 176.470 176.470 175.305 1.165 25476 9803 1 15 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.484 -0.874 25476 9804 1 15 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.514 1.966 25476 9805 1 15 . 1 1 60 60 LEU H H 60 9.610 9.610 8.575 1.035 25476 9806 1 15 . 1 1 61 61 GLU N N 61 123.560 123.560 121.308 2.252 25476 9807 1 15 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.657 0.523 25476 9808 1 15 . 1 1 61 61 GLU C C 61 174.930 174.930 175.486 -0.556 25476 9809 1 15 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.436 0.614 25476 9810 1 15 . 1 1 61 61 GLU CB C 61 32.200 32.200 33.105 -0.905 25476 9811 1 15 . 1 1 61 61 GLU H H 61 9.070 9.070 7.915 1.155 25476 9812 1 15 . 1 1 62 62 ALA N N 62 129.830 129.830 129.500 0.330 25476 9813 1 15 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.161 -0.041 25476 9814 1 15 . 1 1 62 62 ALA C C 62 175.760 175.760 176.637 -0.877 25476 9815 1 15 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.405 0.275 25476 9816 1 15 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.921 2.409 25476 9817 1 15 . 1 1 62 62 ALA H H 62 9.030 9.030 8.524 0.506 25476 9818 1 15 . 1 1 63 63 GLN N N 63 122.550 122.550 123.806 -1.256 25476 9819 1 15 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.148 0.602 25476 9820 1 15 . 1 1 63 63 GLN C C 63 175.470 175.470 177.370 -1.900 25476 9821 1 15 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.926 -0.986 25476 9822 1 15 . 1 1 63 63 GLN CB C 63 29.650 29.650 30.033 -0.383 25476 9823 1 15 . 1 1 63 63 GLN H H 63 8.170 8.170 8.018 0.152 25476 9824 1 15 . 1 1 64 64 GLU N N 64 120.760 120.760 119.883 0.877 25476 9825 1 15 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.048 -0.498 25476 9826 1 15 . 1 1 64 64 GLU C C 64 176.740 176.740 176.090 0.650 25476 9827 1 15 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.312 2.028 25476 9828 1 15 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.808 -0.188 25476 9829 1 15 . 1 1 64 64 GLU H H 64 8.730 8.730 8.598 0.132 25476 9830 1 15 . 1 1 65 65 LYS N N 65 112.820 112.820 112.763 0.057 25476 9831 1 15 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.478 0.152 25476 9832 1 15 . 1 1 65 65 LYS C C 65 175.960 175.960 175.169 0.791 25476 9833 1 15 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.508 -0.718 25476 9834 1 15 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.375 0.925 25476 9835 1 15 . 1 1 65 65 LYS H H 65 8.750 8.750 8.254 0.496 25476 9836 1 15 . 1 1 66 66 ARG N N 66 115.100 115.100 118.580 -3.480 25476 9837 1 15 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.640 0.660 25476 9838 1 15 . 1 1 66 66 ARG C C 66 172.980 172.980 173.632 -0.652 25476 9839 1 15 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.673 -2.143 25476 9840 1 15 . 1 1 66 66 ARG CB C 66 33.000 33.000 34.304 -1.304 25476 9841 1 15 . 1 1 66 66 ARG H H 66 7.520 7.520 7.676 -0.156 25476 9842 1 15 . 1 1 67 67 PHE N N 67 119.960 119.960 116.795 3.165 25476 9843 1 15 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.891 0.849 25476 9844 1 15 . 1 1 67 67 PHE C C 67 176.040 176.040 174.267 1.773 25476 9845 1 15 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.326 -1.206 25476 9846 1 15 . 1 1 67 67 PHE CB C 67 41.950 41.950 44.277 -2.327 25476 9847 1 15 . 1 1 67 67 PHE H H 67 9.220 9.220 9.060 0.160 25476 9848 1 15 . 1 1 68 68 THR N N 68 111.030 111.030 117.489 -6.459 25476 9849 1 15 . 1 1 68 68 THR HA H 68 6.310 6.310 5.138 1.172 25476 9850 1 15 . 1 1 68 68 THR C C 68 175.340 175.340 172.673 2.667 25476 9851 1 15 . 1 1 68 68 THR CA C 68 57.990 57.990 60.439 -2.449 25476 9852 1 15 . 1 1 68 68 THR CB C 68 70.260 70.260 70.996 -0.736 25476 9853 1 15 . 1 1 68 68 THR H H 68 9.200 9.200 8.362 0.838 25476 9854 1 15 . 1 1 69 69 TYR N N 69 115.700 115.700 125.000 -9.300 25476 9855 1 15 . 1 1 69 69 TYR HA H 69 6.090 6.090 5.467 0.623 25476 9856 1 15 . 1 1 69 69 TYR C C 69 173.310 173.310 173.160 0.150 25476 9857 1 15 . 1 1 69 69 TYR CA C 69 55.500 55.500 55.099 0.401 25476 9858 1 15 . 1 1 69 69 TYR CB C 69 44.600 44.600 41.113 3.487 25476 9859 1 15 . 1 1 69 69 TYR H H 69 8.190 8.190 8.375 -0.185 25476 9860 1 15 . 1 1 70 70 ARG N N 70 115.070 115.070 116.833 -1.763 25476 9861 1 15 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.452 1.058 25476 9862 1 15 . 1 1 70 70 ARG C C 70 175.220 175.220 174.016 1.204 25476 9863 1 15 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.958 0.192 25476 9864 1 15 . 1 1 70 70 ARG CB C 70 32.780 32.780 35.047 -2.267 25476 9865 1 15 . 1 1 70 70 ARG H H 70 8.160 8.160 8.161 -0.001 25476 9866 1 15 . 1 1 71 71 TYR N N 71 118.750 118.750 117.805 0.945 25476 9867 1 15 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.262 -0.142 25476 9868 1 15 . 1 1 71 71 TYR H H 71 9.220 9.220 7.914 1.306 25476 9869 1 15 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.858 -0.438 25476 9870 1 15 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.591 0.259 25476 9871 1 15 . 1 1 72 72 GLN CB C 72 30.990 30.990 33.517 -2.527 25476 9872 1 15 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.719 1.111 25476 9873 1 15 . 1 1 73 73 PHE C C 73 177.280 177.280 176.377 0.903 25476 9874 1 15 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.483 -3.803 25476 9875 1 15 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.829 -1.029 25476 9876 1 15 . 1 1 74 74 GLY N N 74 108.520 108.520 108.666 -0.146 25476 9877 1 15 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.182 2.298 25476 9878 1 15 . 1 1 74 74 GLY H H 74 9.350 9.350 7.875 1.475 25476 9879 1 15 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.011 0.359 25476 9880 1 15 . 1 1 75 75 LEU C C 75 174.270 174.270 175.660 -1.390 25476 9881 1 15 . 1 1 75 75 LEU CA C 75 53.790 53.790 53.457 0.333 25476 9882 1 15 . 1 1 75 75 LEU CB C 75 46.860 46.860 44.586 2.274 25476 9883 1 15 . 1 1 76 76 PHE N N 76 135.230 135.230 129.236 5.994 25476 9884 1 15 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.130 -0.790 25476 9885 1 15 . 1 1 76 76 PHE C C 76 174.690 174.690 173.991 0.699 25476 9886 1 15 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.511 0.389 25476 9887 1 15 . 1 1 76 76 PHE H H 76 9.840 9.840 8.292 1.548 25476 9888 1 15 . 1 1 77 77 ASP N N 77 125.580 125.580 127.525 -1.945 25476 9889 1 15 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.500 -0.170 25476 9890 1 15 . 1 1 77 77 ASP C C 77 178.310 178.310 176.539 1.771 25476 9891 1 15 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.976 -0.226 25476 9892 1 15 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.709 -1.249 25476 9893 1 15 . 1 1 77 77 ASP H H 77 7.940 7.940 8.051 -0.111 25476 9894 1 15 . 1 1 78 78 LYS N N 78 116.610 116.610 119.132 -2.522 25476 9895 1 15 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.937 0.153 25476 9896 1 15 . 1 1 78 78 LYS C C 78 176.910 176.910 177.097 -0.187 25476 9897 1 15 . 1 1 78 78 LYS CA C 78 57.580 57.580 57.790 -0.210 25476 9898 1 15 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.233 -1.203 25476 9899 1 15 . 1 1 78 78 LYS H H 78 9.030 9.030 8.481 0.549 25476 9900 1 15 . 1 1 79 79 GLU N N 79 120.510 120.510 117.250 3.260 25476 9901 1 15 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.173 0.087 25476 9902 1 15 . 1 1 79 79 GLU C C 79 176.160 176.160 176.732 -0.572 25476 9903 1 15 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.418 -1.088 25476 9904 1 15 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.113 0.307 25476 9905 1 15 . 1 1 79 79 GLU H H 79 7.850 7.850 8.063 -0.213 25476 9906 1 15 . 1 1 80 80 GLY N N 80 109.610 109.610 107.931 1.679 25476 9907 1 15 . 1 1 80 80 GLY C C 80 172.820 172.820 173.440 -0.620 25476 9908 1 15 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.022 0.358 25476 9909 1 15 . 1 1 80 80 GLY H H 80 7.800 7.800 7.402 0.398 25476 9910 1 15 . 1 1 81 81 ASN N N 81 117.680 117.680 116.950 0.730 25476 9911 1 15 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.389 0.321 25476 9912 1 15 . 1 1 81 81 ASN C C 81 174.110 174.110 174.612 -0.502 25476 9913 1 15 . 1 1 81 81 ASN CA C 81 51.160 51.160 51.459 -0.299 25476 9914 1 15 . 1 1 81 81 ASN CB C 81 40.160 40.160 38.825 1.335 25476 9915 1 15 . 1 1 81 81 ASN H H 81 7.560 7.560 7.856 -0.296 25476 9916 1 15 . 1 1 82 82 TRP N N 82 122.870 122.870 120.124 2.746 25476 9917 1 15 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.676 0.474 25476 9918 1 15 . 1 1 82 82 TRP C C 82 177.480 177.480 175.501 1.979 25476 9919 1 15 . 1 1 82 82 TRP CA C 82 57.260 57.260 55.995 1.265 25476 9920 1 15 . 1 1 82 82 TRP H H 82 8.480 8.480 7.462 1.018 25476 9921 1 15 . 1 1 83 83 THR N N 83 118.050 118.050 122.409 -4.359 25476 9922 1 15 . 1 1 83 83 THR HA H 83 4.820 4.820 4.813 0.007 25476 9923 1 15 . 1 1 83 83 THR C C 83 173.630 173.630 173.529 0.101 25476 9924 1 15 . 1 1 83 83 THR CA C 83 60.470 60.470 62.385 -1.915 25476 9925 1 15 . 1 1 83 83 THR CB C 83 72.050 72.050 71.401 0.649 25476 9926 1 15 . 1 1 83 83 THR H H 83 9.280 9.280 9.174 0.106 25476 9927 1 15 . 1 1 84 84 VAL N N 84 125.990 125.990 124.918 1.072 25476 9928 1 15 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.599 -0.069 25476 9929 1 15 . 1 1 84 84 VAL C C 84 175.440 175.440 174.824 0.616 25476 9930 1 15 . 1 1 84 84 VAL CA C 84 64.280 64.280 60.675 3.605 25476 9931 1 15 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.674 -0.044 25476 9932 1 15 . 1 1 84 84 VAL H H 84 9.100 9.100 8.696 0.404 25476 9933 1 15 . 1 1 85 85 VAL N N 85 124.640 124.640 123.466 1.174 25476 9934 1 15 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.716 0.254 25476 9935 1 15 . 1 1 85 85 VAL CA C 85 58.050 58.050 58.660 -0.610 25476 9936 1 15 . 1 1 85 85 VAL CB C 85 35.190 35.190 34.126 1.065 25476 9937 1 15 . 1 1 85 85 VAL H H 85 7.430 7.430 8.264 -0.834 25476 9938 1 15 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.550 -0.070 25476 9939 1 15 . 1 1 86 86 PRO C C 86 175.970 175.970 176.122 -0.152 25476 9940 1 15 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.910 0.009 25476 9941 1 15 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.224 -0.294 25476 9942 1 15 . 1 1 87 87 ILE N N 87 123.980 123.980 123.293 0.687 25476 9943 1 15 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.824 0.096 25476 9944 1 15 . 1 1 87 87 ILE C C 87 175.510 175.510 175.404 0.106 25476 9945 1 15 . 1 1 87 87 ILE CA C 87 60.120 60.120 60.779 -0.659 25476 9946 1 15 . 1 1 87 87 ILE CB C 87 37.550 37.550 38.123 -0.573 25476 9947 1 15 . 1 1 87 87 ILE H H 87 8.500 8.500 8.143 0.357 25476 9948 1 15 . 1 1 88 88 ASN N N 88 119.050 119.050 128.322 -9.272 25476 9949 1 15 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.769 -0.409 25476 9950 1 15 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.979 -0.769 25476 9951 1 15 . 1 1 88 88 ASN CB C 88 37.740 37.740 38.885 -1.145 25476 9952 1 15 . 1 1 88 88 ASN H H 88 8.390 8.390 8.779 -0.389 25476 9953 1 15 . 1 1 90 90 THR HA H 90 3.800 3.800 3.914 -0.114 25476 9954 1 15 . 1 1 90 90 THR C C 90 175.860 175.860 175.665 0.195 25476 9955 1 15 . 1 1 90 90 THR CA C 90 66.300 66.300 65.858 0.442 25476 9956 1 15 . 1 1 90 90 THR CB C 90 68.380 68.380 68.778 -0.398 25476 9957 1 15 . 1 1 91 91 GLU N N 91 120.430 120.430 118.615 1.815 25476 9958 1 15 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.095 0.015 25476 9959 1 15 . 1 1 91 91 GLU C C 91 179.320 179.320 178.752 0.568 25476 9960 1 15 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.104 0.356 25476 9961 1 15 . 1 1 91 91 GLU CB C 91 29.040 29.040 29.074 -0.034 25476 9962 1 15 . 1 1 91 91 GLU H H 91 9.440 9.440 8.661 0.779 25476 9963 1 15 . 1 1 92 92 VAL N N 92 119.810 119.810 120.212 -0.402 25476 9964 1 15 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.840 -0.220 25476 9965 1 15 . 1 1 92 92 VAL C C 92 177.270 177.270 178.012 -0.742 25476 9966 1 15 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.266 0.684 25476 9967 1 15 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.807 -0.327 25476 9968 1 15 . 1 1 92 92 VAL H H 92 7.010 7.010 7.524 -0.514 25476 9969 1 15 . 1 1 93 93 VAL N N 93 120.570 120.570 120.733 -0.163 25476 9970 1 15 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.643 -0.353 25476 9971 1 15 . 1 1 93 93 VAL C C 93 177.970 177.970 177.346 0.624 25476 9972 1 15 . 1 1 93 93 VAL CA C 93 67.350 67.350 67.047 0.303 25476 9973 1 15 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.768 -0.308 25476 9974 1 15 . 1 1 93 93 VAL H H 93 7.720 7.720 8.432 -0.712 25476 9975 1 15 . 1 1 94 94 GLU N N 94 118.100 118.100 118.698 -0.598 25476 9976 1 15 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.038 0.072 25476 9977 1 15 . 1 1 94 94 GLU C C 94 179.420 179.420 178.927 0.493 25476 9978 1 15 . 1 1 94 94 GLU CA C 94 59.650 59.650 60.085 -0.435 25476 9979 1 15 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.428 -0.038 25476 9980 1 15 . 1 1 94 94 GLU H H 94 8.320 8.320 7.789 0.531 25476 9981 1 15 . 1 1 95 95 ARG N N 95 120.330 120.330 120.980 -0.650 25476 9982 1 15 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.251 0.119 25476 9983 1 15 . 1 1 95 95 ARG C C 95 179.510 179.510 178.724 0.786 25476 9984 1 15 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.598 -1.058 25476 9985 1 15 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.499 0.121 25476 9986 1 15 . 1 1 95 95 ARG H H 95 7.350 7.350 7.360 -0.010 25476 9987 1 15 . 1 1 96 96 LEU N N 96 124.600 124.600 120.617 3.983 25476 9988 1 15 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.360 -0.530 25476 9989 1 15 . 1 1 96 96 LEU C C 96 177.600 177.600 179.328 -1.728 25476 9990 1 15 . 1 1 96 96 LEU CA C 96 59.290 59.290 58.224 1.067 25476 9991 1 15 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.014 -1.414 25476 9992 1 15 . 1 1 96 96 LEU H H 96 8.600 8.600 8.305 0.295 25476 9993 1 15 . 1 1 97 97 GLU N N 97 118.190 118.190 119.822 -1.632 25476 9994 1 15 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.005 -0.265 25476 9995 1 15 . 1 1 97 97 GLU C C 97 177.630 177.630 179.077 -1.447 25476 9996 1 15 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.751 0.689 25476 9997 1 15 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.777 -1.557 25476 9998 1 15 . 1 1 97 97 GLU H H 97 8.540 8.540 8.042 0.498 25476 9999 1 15 . 1 1 98 98 TYR N N 98 119.160 119.160 120.041 -0.881 25476 10000 1 15 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.274 -0.204 25476 10001 1 15 . 1 1 98 98 TYR C C 98 179.010 179.010 177.601 1.409 25476 10002 1 15 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.700 0.420 25476 10003 1 15 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.785 0.005 25476 10004 1 15 . 1 1 98 98 TYR H H 98 8.380 8.380 8.205 0.175 25476 10005 1 15 . 1 1 99 99 THR N N 99 109.220 109.220 115.308 -6.088 25476 10006 1 15 . 1 1 99 99 THR HA H 99 4.310 4.310 4.038 0.272 25476 10007 1 15 . 1 1 99 99 THR C C 99 178.320 178.320 176.714 1.606 25476 10008 1 15 . 1 1 99 99 THR CA C 99 64.890 64.890 66.774 -1.884 25476 10009 1 15 . 1 1 99 99 THR CB C 99 69.810 69.810 69.027 0.783 25476 10010 1 15 . 1 1 99 99 THR H H 99 8.480 8.480 8.544 -0.064 25476 10011 1 15 . 1 1 100 100 LEU N N 100 128.250 128.250 120.317 7.933 25476 10012 1 15 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.236 -0.696 25476 10013 1 15 . 1 1 100 100 LEU C C 100 177.870 177.870 178.347 -0.477 25476 10014 1 15 . 1 1 100 100 LEU CA C 100 58.200 58.200 57.843 0.357 25476 10015 1 15 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.560 0.900 25476 10016 1 15 . 1 1 100 100 LEU H H 100 8.200 8.200 7.833 0.367 25476 10017 1 15 . 1 1 101 101 ARG N N 101 118.550 118.550 119.364 -0.814 25476 10018 1 15 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.898 -0.288 25476 10019 1 15 . 1 1 101 101 ARG C C 101 178.930 178.930 178.515 0.415 25476 10020 1 15 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.060 1.400 25476 10021 1 15 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.782 -0.492 25476 10022 1 15 . 1 1 101 101 ARG H H 101 8.440 8.440 7.704 0.736 25476 10023 1 15 . 1 1 102 102 GLU N N 102 119.760 119.760 118.649 1.111 25476 10024 1 15 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.036 -0.116 25476 10025 1 15 . 1 1 102 102 GLU C C 102 178.360 178.360 178.802 -0.442 25476 10026 1 15 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.427 0.523 25476 10027 1 15 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.058 0.962 25476 10028 1 15 . 1 1 102 102 GLU H H 102 7.970 7.970 7.809 0.161 25476 10029 1 15 . 1 1 103 103 PHE N N 103 119.570 119.570 120.436 -0.866 25476 10030 1 15 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.067 -0.147 25476 10031 1 15 . 1 1 103 103 PHE C C 103 175.350 175.350 176.828 -1.478 25476 10032 1 15 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.653 -0.853 25476 10033 1 15 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.259 0.281 25476 10034 1 15 . 1 1 103 103 PHE H H 103 7.630 7.630 8.267 -0.637 25476 10035 1 15 . 1 1 104 104 HIS N N 104 119.160 119.160 117.553 1.607 25476 10036 1 15 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.255 -1.225 25476 10037 1 15 . 1 1 104 104 HIS C C 104 175.460 175.460 177.514 -2.054 25476 10038 1 15 . 1 1 104 104 HIS CA C 104 60.710 60.710 60.159 0.551 25476 10039 1 15 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.684 2.046 25476 10040 1 15 . 1 1 104 104 HIS H H 104 8.800 8.800 8.009 0.791 25476 10041 1 15 . 1 1 105 105 GLU N N 105 117.900 117.900 119.013 -1.113 25476 10042 1 15 . 1 1 105 105 GLU HA H 105 3.440 3.440 4.030 -0.590 25476 10043 1 15 . 1 1 105 105 GLU C C 105 177.990 177.990 178.642 -0.652 25476 10044 1 15 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.609 0.001 25476 10045 1 15 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.596 -0.296 25476 10046 1 15 . 1 1 105 105 GLU H H 105 7.890 7.890 7.705 0.185 25476 10047 1 15 . 1 1 106 106 LYS N N 106 117.260 117.260 118.704 -1.444 25476 10048 1 15 . 1 1 106 106 LYS HA H 106 3.970 3.970 4.017 -0.047 25476 10049 1 15 . 1 1 106 106 LYS C C 106 179.570 179.570 178.841 0.729 25476 10050 1 15 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.971 -0.261 25476 10051 1 15 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.137 0.643 25476 10052 1 15 . 1 1 106 106 LYS H H 106 6.870 6.870 7.540 -0.670 25476 10053 1 15 . 1 1 107 107 LEU N N 107 123.180 123.180 121.338 1.842 25476 10054 1 15 . 1 1 107 107 LEU HA H 107 3.450 3.450 4.029 -0.579 25476 10055 1 15 . 1 1 107 107 LEU C C 107 177.170 177.170 178.533 -1.363 25476 10056 1 15 . 1 1 107 107 LEU CA C 107 57.340 57.340 56.716 0.624 25476 10057 1 15 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.830 0.410 25476 10058 1 15 . 1 1 107 107 LEU H H 107 8.020 8.020 7.734 0.286 25476 10059 1 15 . 1 1 108 108 ARG N N 108 120.070 120.070 120.183 -0.113 25476 10060 1 15 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.653 -0.243 25476 10061 1 15 . 1 1 108 108 ARG C C 108 178.460 178.460 178.246 0.214 25476 10062 1 15 . 1 1 108 108 ARG CA C 108 59.640 59.640 60.499 -0.859 25476 10063 1 15 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.790 -0.580 25476 10064 1 15 . 1 1 108 108 ARG H H 108 8.680 8.680 7.888 0.792 25476 10065 1 15 . 1 1 109 109 ASP N N 109 119.480 119.480 119.149 0.331 25476 10066 1 15 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.319 -0.009 25476 10067 1 15 . 1 1 109 109 ASP C C 109 178.900 178.900 178.532 0.368 25476 10068 1 15 . 1 1 109 109 ASP CA C 109 57.140 57.140 56.932 0.208 25476 10069 1 15 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.505 -0.635 25476 10070 1 15 . 1 1 109 109 ASP H H 109 7.890 7.890 7.519 0.371 25476 10071 1 15 . 1 1 110 110 LEU N N 110 122.740 122.740 120.960 1.780 25476 10072 1 15 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.932 0.168 25476 10073 1 15 . 1 1 110 110 LEU C C 110 179.830 179.830 178.584 1.246 25476 10074 1 15 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.810 -0.130 25476 10075 1 15 . 1 1 110 110 LEU CB C 110 41.290 41.290 42.020 -0.730 25476 10076 1 15 . 1 1 110 110 LEU H H 110 7.650 7.650 7.247 0.403 25476 10077 1 15 . 1 1 111 111 LEU N N 111 122.170 122.170 118.329 3.841 25476 10078 1 15 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.653 0.177 25476 10079 1 15 . 1 1 111 111 LEU C C 111 179.990 179.990 179.023 0.967 25476 10080 1 15 . 1 1 111 111 LEU CA C 111 58.610 58.610 57.806 0.804 25476 10081 1 15 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.458 -2.078 25476 10082 1 15 . 1 1 111 111 LEU H H 111 8.320 8.320 8.161 0.159 25476 10083 1 15 . 1 1 112 112 ILE N N 112 122.490 122.490 118.619 3.871 25476 10084 1 15 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.632 0.338 25476 10085 1 15 . 1 1 112 112 ILE C C 112 180.930 180.930 177.843 3.087 25476 10086 1 15 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.110 -0.450 25476 10087 1 15 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.659 -0.339 25476 10088 1 15 . 1 1 112 112 ILE H H 112 8.790 8.790 8.260 0.530 25476 10089 1 15 . 1 1 113 113 SER N N 113 119.860 119.860 115.237 4.623 25476 10090 1 15 . 1 1 113 113 SER HA H 113 4.400 4.400 4.262 0.138 25476 10091 1 15 . 1 1 113 113 SER C C 113 174.520 174.520 175.756 -1.236 25476 10092 1 15 . 1 1 113 113 SER CA C 113 61.390 61.390 60.779 0.611 25476 10093 1 15 . 1 1 113 113 SER CB C 113 62.630 62.630 63.231 -0.601 25476 10094 1 15 . 1 1 113 113 SER H H 113 7.720 7.720 7.636 0.084 25476 10095 1 15 . 1 1 114 114 MET N N 114 121.890 121.890 115.934 5.956 25476 10096 1 15 . 1 1 114 114 MET HA H 114 4.530 4.530 4.609 -0.079 25476 10097 1 15 . 1 1 114 114 MET C C 114 173.850 173.850 175.573 -1.723 25476 10098 1 15 . 1 1 114 114 MET CA C 114 55.330 55.330 55.615 -0.285 25476 10099 1 15 . 1 1 114 114 MET CB C 114 34.040 34.040 33.516 0.524 25476 10100 1 15 . 1 1 114 114 MET H H 114 7.480 7.480 7.154 0.326 25476 10101 1 15 . 1 1 115 115 GLU N N 115 114.160 114.160 115.912 -1.752 25476 10102 1 15 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.912 -0.012 25476 10103 1 15 . 1 1 115 115 GLU C C 115 174.880 174.880 174.988 -0.108 25476 10104 1 15 . 1 1 115 115 GLU CA C 115 57.270 57.270 57.045 0.225 25476 10105 1 15 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.339 -0.829 25476 10106 1 15 . 1 1 115 115 GLU H H 115 8.110 8.110 7.786 0.324 25476 10107 1 15 . 1 1 116 116 LEU N N 116 119.870 119.870 119.789 0.081 25476 10108 1 15 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.466 0.194 25476 10109 1 15 . 1 1 116 116 LEU C C 116 174.910 174.910 176.358 -1.448 25476 10110 1 15 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.117 -0.017 25476 10111 1 15 . 1 1 116 116 LEU CB C 116 45.570 45.570 41.938 3.632 25476 10112 1 15 . 1 1 116 116 LEU H H 116 7.970 7.970 8.040 -0.070 25476 10113 1 15 . 1 1 117 117 ALA N N 117 123.730 123.730 128.364 -4.634 25476 10114 1 15 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.485 -0.035 25476 10115 1 15 . 1 1 117 117 ALA C C 117 174.870 174.870 176.027 -1.157 25476 10116 1 15 . 1 1 117 117 ALA CA C 117 50.870 50.870 50.909 -0.039 25476 10117 1 15 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.615 0.085 25476 10118 1 15 . 1 1 117 117 ALA H H 117 7.530 7.530 8.401 -0.871 25476 10119 1 15 . 1 1 118 118 LEU N N 118 121.610 121.610 120.968 0.642 25476 10120 1 15 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.459 0.021 25476 10121 1 15 . 1 1 118 118 LEU C C 118 175.560 175.560 177.315 -1.755 25476 10122 1 15 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.453 -0.613 25476 10123 1 15 . 1 1 118 118 LEU CB C 118 43.490 43.490 43.850 -0.360 25476 10124 1 15 . 1 1 118 118 LEU H H 118 8.250 8.250 8.541 -0.291 25476 10125 1 15 . 1 1 119 119 GLU N N 119 127.300 127.300 122.467 4.833 25476 10126 1 15 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.810 0.310 25476 10127 1 15 . 1 1 119 119 GLU C C 119 171.510 171.510 173.625 -2.115 25476 10128 1 15 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.831 -0.861 25476 10129 1 15 . 1 1 119 119 GLU CB C 119 32.870 32.870 33.065 -0.195 25476 10130 1 15 . 1 1 119 119 GLU H H 119 8.730 8.730 8.649 0.081 25476 10131 1 15 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.344 0.226 25476 10132 1 15 . 1 1 120 120 PRO C C 120 176.420 176.420 175.904 0.516 25476 10133 1 15 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.655 -0.895 25476 10134 1 15 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.214 0.176 25476 10135 1 15 . 1 1 121 121 SER N N 121 117.040 117.040 114.671 2.369 25476 10136 1 15 . 1 1 121 121 SER HA H 121 4.060 4.060 4.734 -0.674 25476 10137 1 15 . 1 1 121 121 SER C C 121 175.150 175.150 175.489 -0.339 25476 10138 1 15 . 1 1 121 121 SER CA C 121 59.230 59.230 56.749 2.481 25476 10139 1 15 . 1 1 121 121 SER CB C 121 62.970 62.970 65.268 -2.298 25476 10140 1 15 . 1 1 121 121 SER H H 121 8.690 8.690 8.053 0.637 25476 10141 1 15 . 1 1 122 122 ASP N N 122 124.140 124.140 120.767 3.373 25476 10142 1 15 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.546 -0.176 25476 10143 1 15 . 1 1 122 122 ASP C C 122 176.240 176.240 176.052 0.188 25476 10144 1 15 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.032 1.069 25476 10145 1 15 . 1 1 122 122 ASP CB C 122 40.190 40.190 41.081 -0.891 25476 10146 1 15 . 1 1 122 122 ASP H H 122 8.830 8.830 8.866 -0.036 25476 10147 1 15 . 1 1 123 123 ASP N N 123 115.720 115.720 118.391 -2.671 25476 10148 1 15 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.738 -0.118 25476 10149 1 15 . 1 1 123 123 ASP C C 123 174.850 174.850 175.271 -0.421 25476 10150 1 15 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.876 -1.086 25476 10151 1 15 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.372 -0.102 25476 10152 1 15 . 1 1 123 123 ASP H H 123 8.210 8.210 8.336 -0.126 25476 10153 1 15 . 1 1 124 124 PHE N N 124 122.440 122.440 121.748 0.692 25476 10154 1 15 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.427 0.603 25476 10155 1 15 . 1 1 124 124 PHE C C 124 174.040 174.040 174.655 -0.615 25476 10156 1 15 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.816 -1.776 25476 10157 1 15 . 1 1 124 124 PHE CB C 124 42.170 42.170 39.061 3.109 25476 10158 1 15 . 1 1 124 124 PHE H H 124 8.060 8.060 7.481 0.579 25476 10159 1 15 . 1 1 125 125 ASN N N 125 126.850 126.850 125.431 1.419 25476 10160 1 15 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.595 0.145 25476 10161 1 15 . 1 1 125 125 ASN C C 125 175.070 175.070 173.889 1.181 25476 10162 1 15 . 1 1 125 125 ASN CA C 125 53.430 53.430 52.163 1.267 25476 10163 1 15 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.349 0.381 25476 10164 1 15 . 1 1 125 125 ASN H H 125 7.700 7.700 8.193 -0.493 25476 10165 1 15 . 1 1 126 126 ASP N N 126 120.330 120.330 119.363 0.967 25476 10166 1 15 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.420 -0.290 25476 10167 1 15 . 1 1 126 126 ASP C C 126 176.280 176.280 175.168 1.112 25476 10168 1 15 . 1 1 126 126 ASP CA C 126 56.030 56.030 53.707 2.323 25476 10169 1 15 . 1 1 126 126 ASP CB C 126 39.100 39.100 41.428 -2.328 25476 10170 1 15 . 1 1 126 126 ASP H H 126 7.300 7.300 8.125 -0.825 25476 10171 1 15 . 1 1 127 127 GLU N N 127 127.840 127.840 119.854 7.986 25476 10172 1 15 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.159 0.201 25476 10173 1 15 . 1 1 127 127 GLU CA C 127 55.470 55.470 55.703 -0.233 25476 10174 1 15 . 1 1 127 127 GLU H H 127 8.320 8.320 8.416 -0.096 25476 10175 1 15 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.552 0.118 25476 10176 1 15 . 1 1 128 128 PRO C C 128 176.010 176.010 176.678 -0.668 25476 10177 1 15 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.567 1.063 25476 10178 1 15 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.627 -0.687 25476 10179 1 15 . 1 1 129 129 VAL N N 129 122.940 122.940 121.171 1.769 25476 10180 1 15 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.934 0.056 25476 10181 1 15 . 1 1 129 129 VAL C C 129 173.650 173.650 175.990 -2.340 25476 10182 1 15 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.690 -1.710 25476 10183 1 15 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.585 -0.455 25476 10184 1 15 . 1 1 129 129 VAL H H 129 7.990 7.990 8.509 -0.519 25476 10185 1 15 . 1 1 130 130 LYS N N 130 124.620 124.620 129.272 -4.652 25476 10186 1 15 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.145 0.365 25476 10187 1 15 . 1 1 130 130 LYS C C 130 174.900 174.900 177.091 -2.191 25476 10188 1 15 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.641 -3.491 25476 10189 1 15 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.383 3.127 25476 10190 1 15 . 1 1 130 130 LYS H H 130 8.240 8.240 8.465 -0.225 25476 10191 1 15 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.343 -0.543 25476 10192 1 15 . 1 1 131 131 LEU C C 131 178.400 178.400 178.128 0.272 25476 10193 1 15 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.465 -0.415 25476 10194 1 15 . 1 1 131 131 LEU CB C 131 40.800 40.800 42.225 -1.425 25476 10195 1 15 . 1 1 132 132 SER N N 132 115.550 115.550 114.151 1.399 25476 10196 1 15 . 1 1 132 132 SER HA H 132 4.610 4.610 4.495 0.115 25476 10197 1 15 . 1 1 132 132 SER C C 132 172.970 172.970 174.272 -1.302 25476 10198 1 15 . 1 1 132 132 SER CA C 132 58.620 58.620 57.379 1.241 25476 10199 1 15 . 1 1 132 132 SER CB C 132 63.310 63.310 62.713 0.597 25476 10200 1 15 . 1 1 132 132 SER H H 132 9.070 9.070 8.138 0.932 25476 10201 1 16 . 1 1 2 2 THR N N 2 118.280 118.280 115.001 3.279 25476 10202 1 16 . 1 1 2 2 THR HA H 2 4.550 4.550 4.494 0.056 25476 10203 1 16 . 1 1 2 2 THR C C 2 174.150 174.150 174.786 -0.636 25476 10204 1 16 . 1 1 2 2 THR CA C 2 61.600 61.600 61.549 0.051 25476 10205 1 16 . 1 1 2 2 THR CB C 2 69.970 69.970 69.873 0.097 25476 10206 1 16 . 1 1 2 2 THR H H 2 8.470 8.470 8.225 0.245 25476 10207 1 16 . 1 1 3 3 LEU N N 3 125.130 125.130 121.308 3.822 25476 10208 1 16 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.486 0.174 25476 10209 1 16 . 1 1 3 3 LEU C C 3 176.690 176.690 177.991 -1.301 25476 10210 1 16 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.266 0.274 25476 10211 1 16 . 1 1 3 3 LEU CB C 3 40.050 40.050 40.901 -0.851 25476 10212 1 16 . 1 1 3 3 LEU H H 3 8.580 8.580 8.130 0.450 25476 10213 1 16 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.315 0.045 25476 10214 1 16 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.483 0.987 25476 10215 1 16 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.685 0.205 25476 10216 1 16 . 1 1 5 5 SER HA H 5 4.580 4.580 4.370 0.210 25476 10217 1 16 . 1 1 5 5 SER C C 5 175.510 175.510 175.624 -0.114 25476 10218 1 16 . 1 1 5 5 SER CA C 5 59.410 59.410 58.969 0.441 25476 10219 1 16 . 1 1 5 5 SER CB C 5 63.110 63.110 63.297 -0.187 25476 10220 1 16 . 1 1 6 6 GLY N N 6 112.010 112.010 108.047 3.963 25476 10221 1 16 . 1 1 6 6 GLY C C 6 173.300 173.300 173.716 -0.416 25476 10222 1 16 . 1 1 6 6 GLY CA C 6 44.530 44.530 45.192 -0.662 25476 10223 1 16 . 1 1 6 6 GLY H H 6 8.620 8.620 7.614 1.006 25476 10224 1 16 . 1 1 7 7 HIS N N 7 119.440 119.440 120.902 -1.462 25476 10225 1 16 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.949 -0.269 25476 10226 1 16 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.254 3.086 25476 10227 1 16 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.224 0.806 25476 10228 1 16 . 1 1 7 7 HIS H H 7 7.170 7.170 7.922 -0.752 25476 10229 1 16 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.581 0.209 25476 10230 1 16 . 1 1 8 8 PRO C C 8 178.140 178.140 176.940 1.200 25476 10231 1 16 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.343 -0.493 25476 10232 1 16 . 1 1 8 8 PRO CB C 8 31.980 31.980 33.238 -1.258 25476 10233 1 16 . 1 1 9 9 LYS N N 9 127.570 127.570 126.735 0.835 25476 10234 1 16 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.249 -0.079 25476 10235 1 16 . 1 1 9 9 LYS C C 9 178.050 178.050 178.703 -0.653 25476 10236 1 16 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.451 0.379 25476 10237 1 16 . 1 1 9 9 LYS H H 9 9.000 9.000 8.738 0.262 25476 10238 1 16 . 1 1 10 10 SER N N 10 113.610 113.610 115.717 -2.107 25476 10239 1 16 . 1 1 10 10 SER HA H 10 4.120 4.120 4.240 -0.120 25476 10240 1 16 . 1 1 10 10 SER C C 10 176.750 176.750 176.409 0.341 25476 10241 1 16 . 1 1 10 10 SER CA C 10 61.050 61.050 61.759 -0.709 25476 10242 1 16 . 1 1 10 10 SER H H 10 9.170 9.170 8.439 0.731 25476 10243 1 16 . 1 1 11 11 ARG N N 11 122.220 122.220 120.859 1.361 25476 10244 1 16 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.133 0.017 25476 10245 1 16 . 1 1 11 11 ARG C C 11 177.890 177.890 178.460 -0.570 25476 10246 1 16 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.911 -0.631 25476 10247 1 16 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.684 0.326 25476 10248 1 16 . 1 1 11 11 ARG H H 11 7.100 7.100 8.426 -1.326 25476 10249 1 16 . 1 1 12 12 LEU N N 12 121.360 121.360 120.425 0.935 25476 10250 1 16 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.941 -0.371 25476 10251 1 16 . 1 1 12 12 LEU C C 12 177.890 177.890 178.722 -0.832 25476 10252 1 16 . 1 1 12 12 LEU CA C 12 56.000 56.000 57.701 -1.701 25476 10253 1 16 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.882 -2.442 25476 10254 1 16 . 1 1 12 12 LEU H H 12 7.220 7.220 7.353 -0.133 25476 10255 1 16 . 1 1 13 13 ILE N N 13 118.920 118.920 120.797 -1.877 25476 10256 1 16 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.807 -0.037 25476 10257 1 16 . 1 1 13 13 ILE C C 13 179.060 179.060 178.754 0.306 25476 10258 1 16 . 1 1 13 13 ILE CA C 13 65.130 65.130 65.101 0.029 25476 10259 1 16 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.785 -0.355 25476 10260 1 16 . 1 1 13 13 ILE H H 13 8.590 8.590 8.897 -0.307 25476 10261 1 16 . 1 1 14 14 LYS N N 14 121.950 121.950 118.513 3.437 25476 10262 1 16 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.103 0.027 25476 10263 1 16 . 1 1 14 14 LYS C C 14 179.810 179.810 178.798 1.012 25476 10264 1 16 . 1 1 14 14 LYS CA C 14 60.060 60.060 57.977 2.083 25476 10265 1 16 . 1 1 14 14 LYS CB C 14 32.080 32.080 31.747 0.333 25476 10266 1 16 . 1 1 14 14 LYS H H 14 7.730 7.730 7.778 -0.048 25476 10267 1 16 . 1 1 15 15 LYS N N 15 119.750 119.750 119.425 0.325 25476 10268 1 16 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.971 0.149 25476 10269 1 16 . 1 1 15 15 LYS C C 15 179.700 179.700 179.410 0.290 25476 10270 1 16 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.065 -0.335 25476 10271 1 16 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.325 -0.375 25476 10272 1 16 . 1 1 15 15 LYS H H 15 7.800 7.800 7.226 0.574 25476 10273 1 16 . 1 1 16 16 PHE N N 16 117.660 117.660 118.336 -0.676 25476 10274 1 16 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.287 0.473 25476 10275 1 16 . 1 1 16 16 PHE C C 16 180.960 180.960 178.165 2.795 25476 10276 1 16 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.608 -3.968 25476 10277 1 16 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.331 0.469 25476 10278 1 16 . 1 1 16 16 PHE H H 16 9.130 9.130 8.600 0.530 25476 10279 1 16 . 1 1 17 17 THR N N 17 120.130 120.130 116.141 3.989 25476 10280 1 16 . 1 1 17 17 THR HA H 17 4.370 4.370 4.055 0.315 25476 10281 1 16 . 1 1 17 17 THR C C 17 175.550 175.550 176.176 -0.626 25476 10282 1 16 . 1 1 17 17 THR CA C 17 66.840 66.840 66.000 0.840 25476 10283 1 16 . 1 1 17 17 THR CB C 17 68.920 68.920 68.060 0.860 25476 10284 1 16 . 1 1 17 17 THR H H 17 8.940 8.940 7.716 1.224 25476 10285 1 16 . 1 1 18 18 ALA N N 18 122.170 122.170 123.150 -0.980 25476 10286 1 16 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.262 0.118 25476 10287 1 16 . 1 1 18 18 ALA C C 18 178.110 178.110 177.905 0.205 25476 10288 1 16 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.746 -0.356 25476 10289 1 16 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.400 -0.100 25476 10290 1 16 . 1 1 18 18 ALA H H 18 7.310 7.310 7.952 -0.642 25476 10291 1 16 . 1 1 19 19 LEU N N 19 116.080 116.080 116.363 -0.283 25476 10292 1 16 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.430 -0.060 25476 10293 1 16 . 1 1 19 19 LEU C C 19 176.620 176.620 176.356 0.264 25476 10294 1 16 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.121 2.509 25476 10295 1 16 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.005 0.415 25476 10296 1 16 . 1 1 19 19 LEU H H 19 7.580 7.580 8.004 -0.424 25476 10297 1 16 . 1 1 20 20 GLY N N 20 103.280 103.280 107.261 -3.981 25476 10298 1 16 . 1 1 20 20 GLY CA C 20 44.060 44.060 45.068 -1.008 25476 10299 1 16 . 1 1 20 20 GLY H H 20 7.650 7.650 7.385 0.265 25476 10300 1 16 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.629 0.241 25476 10301 1 16 . 1 1 21 21 PRO C C 21 174.850 174.850 176.495 -1.645 25476 10302 1 16 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.532 0.608 25476 10303 1 16 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.513 -3.613 25476 10304 1 16 . 1 1 22 22 TYR N N 22 120.690 120.690 117.653 3.037 25476 10305 1 16 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.359 0.821 25476 10306 1 16 . 1 1 22 22 TYR C C 22 176.340 176.340 176.661 -0.321 25476 10307 1 16 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.453 -1.673 25476 10308 1 16 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.448 3.052 25476 10309 1 16 . 1 1 22 22 TYR H H 22 7.680 7.680 8.619 -0.939 25476 10310 1 16 . 1 1 23 23 ILE N N 23 119.130 119.130 123.413 -4.283 25476 10311 1 16 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.103 0.017 25476 10312 1 16 . 1 1 23 23 ILE C C 23 174.210 174.210 176.558 -2.348 25476 10313 1 16 . 1 1 23 23 ILE CA C 23 61.830 61.830 60.959 0.871 25476 10314 1 16 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.631 -0.131 25476 10315 1 16 . 1 1 23 23 ILE H H 23 8.860 8.860 8.614 0.246 25476 10316 1 16 . 1 1 24 24 ARG N N 24 126.540 126.540 128.063 -1.523 25476 10317 1 16 . 1 1 24 24 ARG C C 24 177.290 177.290 175.959 1.331 25476 10318 1 16 . 1 1 24 24 ARG CA C 24 52.090 52.090 56.058 -3.968 25476 10319 1 16 . 1 1 24 24 ARG H H 24 8.100 8.100 8.763 -0.663 25476 10320 1 16 . 1 1 25 25 GLU N N 25 126.990 126.990 123.726 3.264 25476 10321 1 16 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.579 -0.479 25476 10322 1 16 . 1 1 25 25 GLU C C 25 176.780 176.780 175.716 1.064 25476 10323 1 16 . 1 1 25 25 GLU CA C 25 60.860 60.860 55.795 5.065 25476 10324 1 16 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.510 -0.860 25476 10325 1 16 . 1 1 25 25 GLU H H 25 9.400 9.400 8.056 1.344 25476 10326 1 16 . 1 1 26 26 GLY N N 26 109.830 109.830 106.887 2.943 25476 10327 1 16 . 1 1 26 26 GLY C C 26 174.380 174.380 173.274 1.106 25476 10328 1 16 . 1 1 26 26 GLY CA C 26 45.520 45.520 45.479 0.041 25476 10329 1 16 . 1 1 26 26 GLY H H 26 8.070 8.070 7.994 0.076 25476 10330 1 16 . 1 1 27 27 GLN N N 27 117.670 117.670 118.932 -1.262 25476 10331 1 16 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.649 -0.339 25476 10332 1 16 . 1 1 27 27 GLN C C 27 175.350 175.350 175.027 0.323 25476 10333 1 16 . 1 1 27 27 GLN CA C 27 55.320 55.320 55.231 0.089 25476 10334 1 16 . 1 1 27 27 GLN CB C 27 29.340 29.340 28.570 0.770 25476 10335 1 16 . 1 1 27 27 GLN H H 27 7.690 7.690 8.485 -0.795 25476 10336 1 16 . 1 1 28 28 CYS N N 28 119.770 119.770 118.768 1.002 25476 10337 1 16 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.541 -0.001 25476 10338 1 16 . 1 1 28 28 CYS C C 28 173.480 173.480 175.096 -1.616 25476 10339 1 16 . 1 1 28 28 CYS CA C 28 58.810 58.810 57.698 1.112 25476 10340 1 16 . 1 1 28 28 CYS CB C 28 27.070 27.070 28.830 -1.760 25476 10341 1 16 . 1 1 28 28 CYS H H 28 7.510 7.510 7.707 -0.197 25476 10342 1 16 . 1 1 29 29 GLU N N 29 124.370 124.370 120.802 3.568 25476 10343 1 16 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.031 0.509 25476 10344 1 16 . 1 1 29 29 GLU C C 29 174.810 174.810 176.637 -1.827 25476 10345 1 16 . 1 1 29 29 GLU CA C 29 55.560 55.560 57.223 -1.663 25476 10346 1 16 . 1 1 29 29 GLU CB C 29 30.030 30.030 30.337 -0.307 25476 10347 1 16 . 1 1 29 29 GLU H H 29 7.840 7.840 8.274 -0.434 25476 10348 1 16 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.721 -0.141 25476 10349 1 16 . 1 1 31 31 ASN CA C 31 53.450 53.450 51.931 1.519 25476 10350 1 16 . 1 1 31 31 ASN CB C 31 39.200 39.200 40.536 -1.336 25476 10351 1 16 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.151 1.359 25476 10352 1 16 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.903 0.147 25476 10353 1 16 . 1 1 32 32 ARG CB C 32 33.480 33.480 31.598 1.882 25476 10354 1 16 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.895 0.345 25476 10355 1 16 . 1 1 34 34 PHE C C 34 172.210 172.210 174.573 -2.363 25476 10356 1 16 . 1 1 34 34 PHE CA C 34 57.690 57.690 56.697 0.993 25476 10357 1 16 . 1 1 34 34 PHE CB C 34 44.100 44.100 43.300 0.800 25476 10358 1 16 . 1 1 35 35 PHE N N 35 125.800 125.800 120.167 5.633 25476 10359 1 16 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.988 0.182 25476 10360 1 16 . 1 1 35 35 PHE C C 35 173.110 173.110 174.512 -1.402 25476 10361 1 16 . 1 1 35 35 PHE CA C 35 54.860 54.860 57.650 -2.790 25476 10362 1 16 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.389 0.861 25476 10363 1 16 . 1 1 35 35 PHE H H 35 8.660 8.660 9.065 -0.405 25476 10364 1 16 . 1 1 36 36 ASP N N 36 120.960 120.960 125.538 -4.578 25476 10365 1 16 . 1 1 36 36 ASP HA H 36 4.580 4.580 5.446 -0.866 25476 10366 1 16 . 1 1 36 36 ASP CA C 36 54.160 54.160 53.759 0.401 25476 10367 1 16 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.501 -0.471 25476 10368 1 16 . 1 1 36 36 ASP H H 36 9.370 9.370 8.691 0.679 25476 10369 1 16 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.878 -0.888 25476 10370 1 16 . 1 1 37 37 CYS C C 37 173.460 173.460 173.945 -0.485 25476 10371 1 16 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.462 0.148 25476 10372 1 16 . 1 1 37 37 CYS CB C 37 27.170 27.170 30.223 -3.053 25476 10373 1 16 . 1 1 38 38 LEU N N 38 131.890 131.890 127.139 4.751 25476 10374 1 16 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.790 -0.580 25476 10375 1 16 . 1 1 38 38 LEU C C 38 175.570 175.570 176.631 -1.061 25476 10376 1 16 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.256 -0.726 25476 10377 1 16 . 1 1 38 38 LEU CB C 38 37.270 37.270 41.934 -4.664 25476 10378 1 16 . 1 1 38 38 LEU H H 38 8.430 8.430 8.701 -0.271 25476 10379 1 16 . 1 1 39 39 ALA N N 39 127.100 127.100 129.886 -2.786 25476 10380 1 16 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.406 -0.066 25476 10381 1 16 . 1 1 39 39 ALA C C 39 178.500 178.500 177.202 1.298 25476 10382 1 16 . 1 1 39 39 ALA CA C 39 55.380 55.380 53.633 1.747 25476 10383 1 16 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.356 0.754 25476 10384 1 16 . 1 1 39 39 ALA H H 39 7.960 7.960 8.657 -0.697 25476 10385 1 16 . 1 1 40 40 VAL N N 40 116.260 116.260 114.609 1.651 25476 10386 1 16 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.507 0.113 25476 10387 1 16 . 1 1 40 40 VAL C C 40 173.990 173.990 174.298 -0.308 25476 10388 1 16 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.287 0.653 25476 10389 1 16 . 1 1 40 40 VAL CB C 40 36.480 36.480 36.295 0.184 25476 10390 1 16 . 1 1 40 40 VAL H H 40 8.590 8.590 8.070 0.520 25476 10391 1 16 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.852 -0.972 25476 10392 1 16 . 1 1 41 41 CYS C C 41 174.640 174.640 176.145 -1.505 25476 10393 1 16 . 1 1 41 41 CYS CA C 41 59.280 59.280 58.428 0.852 25476 10394 1 16 . 1 1 41 41 CYS CB C 41 26.700 26.700 28.718 -2.018 25476 10395 1 16 . 1 1 42 42 VAL N N 42 131.320 131.320 123.628 7.692 25476 10396 1 16 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.854 -0.374 25476 10397 1 16 . 1 1 42 42 VAL C C 42 176.270 176.270 176.247 0.023 25476 10398 1 16 . 1 1 42 42 VAL CA C 42 65.390 65.390 65.578 -0.188 25476 10399 1 16 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.780 0.060 25476 10400 1 16 . 1 1 42 42 VAL H H 42 8.610 8.610 8.389 0.221 25476 10401 1 16 . 1 1 43 43 ASN N N 43 116.070 116.070 112.339 3.731 25476 10402 1 16 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.800 -0.010 25476 10403 1 16 . 1 1 43 43 ASN C C 43 175.160 175.160 173.444 1.716 25476 10404 1 16 . 1 1 43 43 ASN CA C 43 52.690 52.690 52.549 0.141 25476 10405 1 16 . 1 1 43 43 ASN CB C 43 39.940 39.940 39.699 0.241 25476 10406 1 16 . 1 1 43 43 ASN H H 43 7.280 7.280 7.702 -0.422 25476 10407 1 16 . 1 1 44 44 VAL N N 44 121.350 121.350 113.181 8.169 25476 10408 1 16 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.378 -0.258 25476 10409 1 16 . 1 1 44 44 VAL C C 44 175.460 175.460 175.247 0.213 25476 10410 1 16 . 1 1 44 44 VAL CA C 44 61.930 61.930 62.142 -0.212 25476 10411 1 16 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.862 -1.232 25476 10412 1 16 . 1 1 44 44 VAL H H 44 8.520 8.520 8.428 0.092 25476 10413 1 16 . 1 1 45 45 LYS N N 45 123.190 123.190 120.518 2.672 25476 10414 1 16 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.326 -0.116 25476 10415 1 16 . 1 1 45 45 LYS CA C 45 59.080 59.080 57.588 1.492 25476 10416 1 16 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.321 0.179 25476 10417 1 16 . 1 1 45 45 LYS H H 45 8.100 8.100 8.240 -0.140 25476 10418 1 16 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.428 -0.058 25476 10419 1 16 . 1 1 46 46 PRO C C 46 174.380 174.380 175.773 -1.393 25476 10420 1 16 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.376 0.685 25476 10421 1 16 . 1 1 46 46 PRO CB C 46 31.660 31.660 31.897 -0.237 25476 10422 1 16 . 1 1 47 47 ALA N N 47 124.500 124.500 120.510 3.990 25476 10423 1 16 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.406 0.064 25476 10424 1 16 . 1 1 47 47 ALA C C 47 176.130 176.130 177.112 -0.982 25476 10425 1 16 . 1 1 47 47 ALA CA C 47 50.740 50.740 50.471 0.269 25476 10426 1 16 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.745 -1.445 25476 10427 1 16 . 1 1 47 47 ALA H H 47 8.300 8.300 8.262 0.038 25476 10428 1 16 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.317 -0.507 25476 10429 1 16 . 1 1 48 48 PRO C C 48 178.270 178.270 177.352 0.918 25476 10430 1 16 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.540 1.610 25476 10431 1 16 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.106 -0.116 25476 10432 1 16 . 1 1 49 49 GLU N N 49 116.300 116.300 116.345 -0.045 25476 10433 1 16 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.119 0.171 25476 10434 1 16 . 1 1 49 49 GLU C C 49 176.550 176.550 177.350 -0.800 25476 10435 1 16 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.555 -0.435 25476 10436 1 16 . 1 1 49 49 GLU CB C 49 28.290 28.290 29.004 -0.714 25476 10437 1 16 . 1 1 49 49 GLU H H 49 9.390 9.390 8.670 0.720 25476 10438 1 16 . 1 1 50 50 LYS N N 50 120.030 120.030 117.736 2.294 25476 10439 1 16 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.239 0.221 25476 10440 1 16 . 1 1 50 50 LYS C C 50 175.070 175.070 177.041 -1.971 25476 10441 1 16 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.469 -0.799 25476 10442 1 16 . 1 1 50 50 LYS CB C 50 33.170 33.170 33.003 0.167 25476 10443 1 16 . 1 1 50 50 LYS H H 50 8.350 8.350 7.198 1.152 25476 10444 1 16 . 1 1 51 51 ARG N N 51 119.720 119.720 120.956 -1.236 25476 10445 1 16 . 1 1 51 51 ARG HA H 51 4.300 4.300 3.935 0.365 25476 10446 1 16 . 1 1 51 51 ARG C C 51 174.530 174.530 175.252 -0.722 25476 10447 1 16 . 1 1 51 51 ARG CA C 51 56.690 56.690 57.131 -0.441 25476 10448 1 16 . 1 1 51 51 ARG CB C 51 32.000 32.000 30.595 1.405 25476 10449 1 16 . 1 1 51 51 ARG H H 51 7.220 7.220 7.529 -0.309 25476 10450 1 16 . 1 1 52 52 GLU N N 52 119.700 119.700 122.435 -2.735 25476 10451 1 16 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.516 0.174 25476 10452 1 16 . 1 1 52 52 GLU C C 52 175.260 175.260 174.983 0.277 25476 10453 1 16 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.407 0.323 25476 10454 1 16 . 1 1 52 52 GLU H H 52 8.690 8.690 8.157 0.533 25476 10455 1 16 . 1 1 53 53 PHE N N 53 116.950 116.950 117.735 -0.785 25476 10456 1 16 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.633 0.527 25476 10457 1 16 . 1 1 53 53 PHE C C 53 174.970 174.970 174.509 0.461 25476 10458 1 16 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.557 1.403 25476 10459 1 16 . 1 1 53 53 PHE CB C 53 44.210 44.210 42.301 1.909 25476 10460 1 16 . 1 1 53 53 PHE H H 53 8.590 8.590 7.578 1.012 25476 10461 1 16 . 1 1 54 54 TRP N N 54 123.100 123.100 120.751 2.349 25476 10462 1 16 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.684 1.216 25476 10463 1 16 . 1 1 54 54 TRP C C 54 177.820 177.820 176.258 1.562 25476 10464 1 16 . 1 1 54 54 TRP CA C 54 56.240 56.240 56.850 -0.610 25476 10465 1 16 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.255 1.615 25476 10466 1 16 . 1 1 54 54 TRP H H 54 9.520 9.520 8.989 0.531 25476 10467 1 16 . 1 1 55 55 GLY N N 55 110.840 110.840 108.654 2.186 25476 10468 1 16 . 1 1 55 55 GLY CA C 55 47.240 47.240 43.517 3.723 25476 10469 1 16 . 1 1 55 55 GLY H H 55 9.550 9.550 8.235 1.315 25476 10470 1 16 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.531 0.679 25476 10471 1 16 . 1 1 57 57 TRP CA C 57 57.700 57.700 58.289 -0.589 25476 10472 1 16 . 1 1 58 58 MET N N 58 122.630 122.630 125.284 -2.654 25476 10473 1 16 . 1 1 58 58 MET HA H 58 4.370 4.370 4.729 -0.359 25476 10474 1 16 . 1 1 58 58 MET CA C 58 55.230 55.230 54.037 1.193 25476 10475 1 16 . 1 1 58 58 MET CB C 58 35.910 35.910 35.117 0.793 25476 10476 1 16 . 1 1 58 58 MET H H 58 9.680 9.680 8.501 1.179 25476 10477 1 16 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.736 0.694 25476 10478 1 16 . 1 1 59 59 GLU C C 59 175.570 175.570 174.962 0.608 25476 10479 1 16 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.446 -0.186 25476 10480 1 16 . 1 1 60 60 LEU N N 60 126.920 126.920 120.024 6.896 25476 10481 1 16 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.784 1.276 25476 10482 1 16 . 1 1 60 60 LEU C C 60 176.470 176.470 174.673 1.797 25476 10483 1 16 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.360 -0.750 25476 10484 1 16 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.045 2.435 25476 10485 1 16 . 1 1 60 60 LEU H H 60 9.610 9.610 8.232 1.378 25476 10486 1 16 . 1 1 61 61 GLU N N 61 123.560 123.560 120.434 3.126 25476 10487 1 16 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.474 0.706 25476 10488 1 16 . 1 1 61 61 GLU C C 61 174.930 174.930 175.329 -0.399 25476 10489 1 16 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.958 0.092 25476 10490 1 16 . 1 1 61 61 GLU CB C 61 32.200 32.200 32.256 -0.056 25476 10491 1 16 . 1 1 61 61 GLU H H 61 9.070 9.070 8.529 0.541 25476 10492 1 16 . 1 1 62 62 ALA N N 62 129.830 129.830 129.052 0.778 25476 10493 1 16 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.562 -0.442 25476 10494 1 16 . 1 1 62 62 ALA C C 62 175.760 175.760 176.697 -0.937 25476 10495 1 16 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.689 -0.009 25476 10496 1 16 . 1 1 62 62 ALA CB C 62 21.330 21.330 19.396 1.934 25476 10497 1 16 . 1 1 62 62 ALA H H 62 9.030 9.030 8.645 0.385 25476 10498 1 16 . 1 1 63 63 GLN N N 63 122.550 122.550 122.983 -0.433 25476 10499 1 16 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.283 0.467 25476 10500 1 16 . 1 1 63 63 GLN C C 63 175.470 175.470 176.376 -0.906 25476 10501 1 16 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.832 -0.892 25476 10502 1 16 . 1 1 63 63 GLN CB C 63 29.650 29.650 30.104 -0.454 25476 10503 1 16 . 1 1 63 63 GLN H H 63 8.170 8.170 7.922 0.248 25476 10504 1 16 . 1 1 64 64 GLU N N 64 120.760 120.760 119.592 1.168 25476 10505 1 16 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.089 -0.539 25476 10506 1 16 . 1 1 64 64 GLU C C 64 176.740 176.740 176.402 0.338 25476 10507 1 16 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.041 2.299 25476 10508 1 16 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.974 -0.353 25476 10509 1 16 . 1 1 64 64 GLU H H 64 8.730 8.730 8.615 0.115 25476 10510 1 16 . 1 1 65 65 LYS N N 65 112.820 112.820 110.865 1.955 25476 10511 1 16 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.386 0.244 25476 10512 1 16 . 1 1 65 65 LYS C C 65 175.960 175.960 174.376 1.584 25476 10513 1 16 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.763 -0.973 25476 10514 1 16 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.538 0.762 25476 10515 1 16 . 1 1 65 65 LYS H H 65 8.750 8.750 8.118 0.632 25476 10516 1 16 . 1 1 66 66 ARG N N 66 115.100 115.100 117.610 -2.510 25476 10517 1 16 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.547 0.753 25476 10518 1 16 . 1 1 66 66 ARG C C 66 172.980 172.980 173.631 -0.651 25476 10519 1 16 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.511 -1.981 25476 10520 1 16 . 1 1 66 66 ARG CB C 66 33.000 33.000 34.240 -1.240 25476 10521 1 16 . 1 1 66 66 ARG H H 66 7.520 7.520 7.513 0.007 25476 10522 1 16 . 1 1 67 67 PHE N N 67 119.960 119.960 117.464 2.496 25476 10523 1 16 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.861 0.879 25476 10524 1 16 . 1 1 67 67 PHE C C 67 176.040 176.040 174.437 1.603 25476 10525 1 16 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.111 -0.992 25476 10526 1 16 . 1 1 67 67 PHE CB C 67 41.950 41.950 44.115 -2.165 25476 10527 1 16 . 1 1 67 67 PHE H H 67 9.220 9.220 8.347 0.873 25476 10528 1 16 . 1 1 68 68 THR N N 68 111.030 111.030 114.078 -3.048 25476 10529 1 16 . 1 1 68 68 THR HA H 68 6.310 6.310 4.511 1.799 25476 10530 1 16 . 1 1 68 68 THR C C 68 175.340 175.340 172.469 2.871 25476 10531 1 16 . 1 1 68 68 THR CA C 68 57.990 57.990 59.241 -1.251 25476 10532 1 16 . 1 1 68 68 THR CB C 68 70.260 70.260 70.163 0.097 25476 10533 1 16 . 1 1 68 68 THR H H 68 9.200 9.200 8.148 1.052 25476 10534 1 16 . 1 1 69 69 TYR N N 69 115.700 115.700 121.918 -6.218 25476 10535 1 16 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.625 1.465 25476 10536 1 16 . 1 1 69 69 TYR C C 69 173.310 173.310 173.628 -0.318 25476 10537 1 16 . 1 1 69 69 TYR CA C 69 55.500 55.500 57.201 -1.701 25476 10538 1 16 . 1 1 69 69 TYR CB C 69 44.600 44.600 42.794 1.806 25476 10539 1 16 . 1 1 69 69 TYR H H 69 8.190 8.190 8.507 -0.317 25476 10540 1 16 . 1 1 70 70 ARG N N 70 115.070 115.070 118.048 -2.978 25476 10541 1 16 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.248 1.262 25476 10542 1 16 . 1 1 70 70 ARG C C 70 175.220 175.220 174.536 0.684 25476 10543 1 16 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.374 0.776 25476 10544 1 16 . 1 1 70 70 ARG CB C 70 32.780 32.780 33.550 -0.770 25476 10545 1 16 . 1 1 70 70 ARG H H 70 8.160 8.160 8.347 -0.187 25476 10546 1 16 . 1 1 71 71 TYR N N 71 118.750 118.750 121.014 -2.264 25476 10547 1 16 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.006 -0.886 25476 10548 1 16 . 1 1 71 71 TYR H H 71 9.220 9.220 8.243 0.977 25476 10549 1 16 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.256 0.164 25476 10550 1 16 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.537 0.313 25476 10551 1 16 . 1 1 72 72 GLN CB C 72 30.990 30.990 32.534 -1.544 25476 10552 1 16 . 1 1 73 73 PHE HA H 73 5.830 5.830 5.218 0.612 25476 10553 1 16 . 1 1 73 73 PHE C C 73 177.280 177.280 175.890 1.390 25476 10554 1 16 . 1 1 73 73 PHE CA C 73 53.680 53.680 55.403 -1.723 25476 10555 1 16 . 1 1 73 73 PHE CB C 73 39.800 39.800 41.428 -1.628 25476 10556 1 16 . 1 1 74 74 GLY N N 74 108.520 108.520 109.347 -0.827 25476 10557 1 16 . 1 1 74 74 GLY CA C 74 47.480 47.480 43.284 4.196 25476 10558 1 16 . 1 1 74 74 GLY H H 74 9.350 9.350 8.246 1.104 25476 10559 1 16 . 1 1 75 75 LEU HA H 75 5.370 5.370 4.952 0.418 25476 10560 1 16 . 1 1 75 75 LEU C C 75 174.270 174.270 174.685 -0.415 25476 10561 1 16 . 1 1 75 75 LEU CA C 75 53.790 53.790 53.722 0.068 25476 10562 1 16 . 1 1 75 75 LEU CB C 75 46.860 46.860 45.825 1.035 25476 10563 1 16 . 1 1 76 76 PHE N N 76 135.230 135.230 122.481 12.749 25476 10564 1 16 . 1 1 76 76 PHE HA H 76 4.340 4.340 4.728 -0.388 25476 10565 1 16 . 1 1 76 76 PHE C C 76 174.690 174.690 174.745 -0.055 25476 10566 1 16 . 1 1 76 76 PHE CA C 76 56.900 56.900 55.757 1.143 25476 10567 1 16 . 1 1 76 76 PHE H H 76 9.840 9.840 7.956 1.884 25476 10568 1 16 . 1 1 77 77 ASP N N 77 125.580 125.580 122.067 3.513 25476 10569 1 16 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.696 -0.366 25476 10570 1 16 . 1 1 77 77 ASP C C 77 178.310 178.310 177.573 0.737 25476 10571 1 16 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.407 0.343 25476 10572 1 16 . 1 1 77 77 ASP CB C 77 42.460 42.460 44.062 -1.602 25476 10573 1 16 . 1 1 77 77 ASP H H 77 7.940 7.940 8.461 -0.521 25476 10574 1 16 . 1 1 78 78 LYS N N 78 116.610 116.610 119.647 -3.037 25476 10575 1 16 . 1 1 78 78 LYS HA H 78 4.090 4.090 4.078 0.012 25476 10576 1 16 . 1 1 78 78 LYS C C 78 176.910 176.910 177.002 -0.092 25476 10577 1 16 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.957 -1.377 25476 10578 1 16 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.069 -1.039 25476 10579 1 16 . 1 1 78 78 LYS H H 78 9.030 9.030 8.733 0.297 25476 10580 1 16 . 1 1 79 79 GLU N N 79 120.510 120.510 115.347 5.163 25476 10581 1 16 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.290 -0.030 25476 10582 1 16 . 1 1 79 79 GLU C C 79 176.160 176.160 176.510 -0.350 25476 10583 1 16 . 1 1 79 79 GLU CA C 79 55.330 55.330 55.325 0.005 25476 10584 1 16 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.116 0.304 25476 10585 1 16 . 1 1 79 79 GLU H H 79 7.850 7.850 7.732 0.117 25476 10586 1 16 . 1 1 80 80 GLY N N 80 109.610 109.610 109.575 0.035 25476 10587 1 16 . 1 1 80 80 GLY C C 80 172.820 172.820 173.646 -0.826 25476 10588 1 16 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.532 -0.152 25476 10589 1 16 . 1 1 80 80 GLY H H 80 7.800 7.800 7.845 -0.045 25476 10590 1 16 . 1 1 81 81 ASN N N 81 117.680 117.680 116.410 1.270 25476 10591 1 16 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.634 0.076 25476 10592 1 16 . 1 1 81 81 ASN C C 81 174.110 174.110 175.669 -1.559 25476 10593 1 16 . 1 1 81 81 ASN CA C 81 51.160 51.160 52.005 -0.845 25476 10594 1 16 . 1 1 81 81 ASN CB C 81 40.160 40.160 39.251 0.909 25476 10595 1 16 . 1 1 81 81 ASN H H 81 7.560 7.560 7.714 -0.154 25476 10596 1 16 . 1 1 82 82 TRP N N 82 122.870 122.870 120.804 2.066 25476 10597 1 16 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.485 0.665 25476 10598 1 16 . 1 1 82 82 TRP C C 82 177.480 177.480 175.064 2.416 25476 10599 1 16 . 1 1 82 82 TRP CA C 82 57.260 57.260 56.803 0.457 25476 10600 1 16 . 1 1 82 82 TRP H H 82 8.480 8.480 8.255 0.225 25476 10601 1 16 . 1 1 83 83 THR N N 83 118.050 118.050 121.535 -3.485 25476 10602 1 16 . 1 1 83 83 THR HA H 83 4.820 4.820 4.430 0.390 25476 10603 1 16 . 1 1 83 83 THR C C 83 173.630 173.630 173.561 0.069 25476 10604 1 16 . 1 1 83 83 THR CA C 83 60.470 60.470 61.377 -0.907 25476 10605 1 16 . 1 1 83 83 THR CB C 83 72.050 72.050 70.674 1.376 25476 10606 1 16 . 1 1 83 83 THR H H 83 9.280 9.280 8.264 1.016 25476 10607 1 16 . 1 1 84 84 VAL N N 84 125.990 125.990 124.426 1.564 25476 10608 1 16 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.005 0.525 25476 10609 1 16 . 1 1 84 84 VAL C C 84 175.440 175.440 175.139 0.301 25476 10610 1 16 . 1 1 84 84 VAL CA C 84 64.280 64.280 62.435 1.845 25476 10611 1 16 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.117 0.513 25476 10612 1 16 . 1 1 84 84 VAL H H 84 9.100 9.100 8.375 0.725 25476 10613 1 16 . 1 1 85 85 VAL N N 85 124.640 124.640 129.017 -4.377 25476 10614 1 16 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.560 0.410 25476 10615 1 16 . 1 1 85 85 VAL CA C 85 58.050 58.050 59.175 -1.125 25476 10616 1 16 . 1 1 85 85 VAL CB C 85 35.190 35.190 35.265 -0.075 25476 10617 1 16 . 1 1 85 85 VAL H H 85 7.430 7.430 8.183 -0.753 25476 10618 1 16 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.695 -0.215 25476 10619 1 16 . 1 1 86 86 PRO C C 86 175.970 175.970 176.123 -0.153 25476 10620 1 16 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.383 0.537 25476 10621 1 16 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.250 -0.320 25476 10622 1 16 . 1 1 87 87 ILE N N 87 123.980 123.980 122.240 1.740 25476 10623 1 16 . 1 1 87 87 ILE HA H 87 3.920 3.920 2.897 1.023 25476 10624 1 16 . 1 1 87 87 ILE C C 87 175.510 175.510 175.354 0.156 25476 10625 1 16 . 1 1 87 87 ILE CA C 87 60.120 60.120 60.124 -0.005 25476 10626 1 16 . 1 1 87 87 ILE CB C 87 37.550 37.550 35.676 1.874 25476 10627 1 16 . 1 1 87 87 ILE H H 87 8.500 8.500 8.118 0.382 25476 10628 1 16 . 1 1 88 88 ASN N N 88 119.050 119.050 125.906 -6.856 25476 10629 1 16 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.743 -0.383 25476 10630 1 16 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.525 -0.315 25476 10631 1 16 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.717 -1.977 25476 10632 1 16 . 1 1 88 88 ASN H H 88 8.390 8.390 8.020 0.370 25476 10633 1 16 . 1 1 90 90 THR HA H 90 3.800 3.800 3.849 -0.049 25476 10634 1 16 . 1 1 90 90 THR C C 90 175.860 175.860 175.818 0.042 25476 10635 1 16 . 1 1 90 90 THR CA C 90 66.300 66.300 66.459 -0.159 25476 10636 1 16 . 1 1 90 90 THR CB C 90 68.380 68.380 68.915 -0.535 25476 10637 1 16 . 1 1 91 91 GLU N N 91 120.430 120.430 118.934 1.496 25476 10638 1 16 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.034 0.076 25476 10639 1 16 . 1 1 91 91 GLU C C 91 179.320 179.320 178.217 1.103 25476 10640 1 16 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.029 0.430 25476 10641 1 16 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.883 0.157 25476 10642 1 16 . 1 1 91 91 GLU H H 91 9.440 9.440 8.707 0.733 25476 10643 1 16 . 1 1 92 92 VAL N N 92 119.810 119.810 119.770 0.040 25476 10644 1 16 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.779 -0.159 25476 10645 1 16 . 1 1 92 92 VAL C C 92 177.270 177.270 178.062 -0.792 25476 10646 1 16 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.758 0.192 25476 10647 1 16 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.977 -0.497 25476 10648 1 16 . 1 1 92 92 VAL H H 92 7.010 7.010 7.583 -0.573 25476 10649 1 16 . 1 1 93 93 VAL N N 93 120.570 120.570 121.161 -0.591 25476 10650 1 16 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.241 0.049 25476 10651 1 16 . 1 1 93 93 VAL C C 93 177.970 177.970 177.050 0.920 25476 10652 1 16 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.117 1.233 25476 10653 1 16 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.414 0.046 25476 10654 1 16 . 1 1 93 93 VAL H H 93 7.720 7.720 7.489 0.231 25476 10655 1 16 . 1 1 94 94 GLU N N 94 118.100 118.100 117.989 0.111 25476 10656 1 16 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.009 0.101 25476 10657 1 16 . 1 1 94 94 GLU C C 94 179.420 179.420 178.900 0.520 25476 10658 1 16 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.281 0.369 25476 10659 1 16 . 1 1 94 94 GLU CB C 94 29.390 29.390 28.966 0.424 25476 10660 1 16 . 1 1 94 94 GLU H H 94 8.320 8.320 7.989 0.331 25476 10661 1 16 . 1 1 95 95 ARG N N 95 120.330 120.330 120.543 -0.213 25476 10662 1 16 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.243 0.127 25476 10663 1 16 . 1 1 95 95 ARG C C 95 179.510 179.510 178.765 0.745 25476 10664 1 16 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.291 -0.751 25476 10665 1 16 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.695 -0.074 25476 10666 1 16 . 1 1 95 95 ARG H H 95 7.350 7.350 7.904 -0.554 25476 10667 1 16 . 1 1 96 96 LEU N N 96 124.600 124.600 120.804 3.796 25476 10668 1 16 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.451 -0.621 25476 10669 1 16 . 1 1 96 96 LEU C C 96 177.600 177.600 179.648 -2.048 25476 10670 1 16 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.719 1.571 25476 10671 1 16 . 1 1 96 96 LEU CB C 96 39.600 39.600 40.963 -1.363 25476 10672 1 16 . 1 1 96 96 LEU H H 96 8.600 8.600 7.605 0.995 25476 10673 1 16 . 1 1 97 97 GLU N N 97 118.190 118.190 118.622 -0.432 25476 10674 1 16 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.077 -0.337 25476 10675 1 16 . 1 1 97 97 GLU C C 97 177.630 177.630 179.145 -1.515 25476 10676 1 16 . 1 1 97 97 GLU CA C 97 60.440 60.440 58.939 1.501 25476 10677 1 16 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.185 -0.965 25476 10678 1 16 . 1 1 97 97 GLU H H 97 8.540 8.540 8.283 0.257 25476 10679 1 16 . 1 1 98 98 TYR N N 98 119.160 119.160 120.342 -1.182 25476 10680 1 16 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.340 -0.270 25476 10681 1 16 . 1 1 98 98 TYR C C 98 179.010 179.010 177.241 1.769 25476 10682 1 16 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.573 0.547 25476 10683 1 16 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.949 -0.159 25476 10684 1 16 . 1 1 98 98 TYR H H 98 8.380 8.380 7.967 0.413 25476 10685 1 16 . 1 1 99 99 THR N N 99 109.220 109.220 113.742 -4.522 25476 10686 1 16 . 1 1 99 99 THR HA H 99 4.310 4.310 4.141 0.169 25476 10687 1 16 . 1 1 99 99 THR C C 99 178.320 178.320 176.946 1.374 25476 10688 1 16 . 1 1 99 99 THR CA C 99 64.890 64.890 66.055 -1.165 25476 10689 1 16 . 1 1 99 99 THR CB C 99 69.810 69.810 68.892 0.918 25476 10690 1 16 . 1 1 99 99 THR H H 99 8.480 8.480 8.503 -0.023 25476 10691 1 16 . 1 1 100 100 LEU N N 100 128.250 128.250 120.372 7.878 25476 10692 1 16 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.800 -1.260 25476 10693 1 16 . 1 1 100 100 LEU C C 100 177.870 177.870 178.568 -0.698 25476 10694 1 16 . 1 1 100 100 LEU CA C 100 58.200 58.200 58.257 -0.057 25476 10695 1 16 . 1 1 100 100 LEU CB C 100 41.460 41.460 41.525 -0.065 25476 10696 1 16 . 1 1 100 100 LEU H H 100 8.200 8.200 7.636 0.564 25476 10697 1 16 . 1 1 101 101 ARG N N 101 118.550 118.550 119.724 -1.174 25476 10698 1 16 . 1 1 101 101 ARG HA H 101 3.610 3.610 4.065 -0.455 25476 10699 1 16 . 1 1 101 101 ARG C C 101 178.930 178.930 178.646 0.284 25476 10700 1 16 . 1 1 101 101 ARG CA C 101 60.460 60.460 58.776 1.684 25476 10701 1 16 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.773 -0.483 25476 10702 1 16 . 1 1 101 101 ARG H H 101 8.440 8.440 7.524 0.916 25476 10703 1 16 . 1 1 102 102 GLU N N 102 119.760 119.760 118.677 1.083 25476 10704 1 16 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.002 -0.082 25476 10705 1 16 . 1 1 102 102 GLU C C 102 178.360 178.360 178.733 -0.373 25476 10706 1 16 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.904 0.046 25476 10707 1 16 . 1 1 102 102 GLU CB C 102 30.020 30.020 28.329 1.691 25476 10708 1 16 . 1 1 102 102 GLU H H 102 7.970 7.970 7.894 0.076 25476 10709 1 16 . 1 1 103 103 PHE N N 103 119.570 119.570 120.796 -1.226 25476 10710 1 16 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.066 -0.146 25476 10711 1 16 . 1 1 103 103 PHE C C 103 175.350 175.350 177.034 -1.684 25476 10712 1 16 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.962 -1.162 25476 10713 1 16 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.681 -0.141 25476 10714 1 16 . 1 1 103 103 PHE H H 103 7.630 7.630 7.705 -0.075 25476 10715 1 16 . 1 1 104 104 HIS N N 104 119.160 119.160 118.811 0.349 25476 10716 1 16 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.184 -1.154 25476 10717 1 16 . 1 1 104 104 HIS C C 104 175.460 175.460 177.618 -2.158 25476 10718 1 16 . 1 1 104 104 HIS CA C 104 60.710 60.710 60.279 0.430 25476 10719 1 16 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.520 2.210 25476 10720 1 16 . 1 1 104 104 HIS H H 104 8.800 8.800 7.885 0.915 25476 10721 1 16 . 1 1 105 105 GLU N N 105 117.900 117.900 118.605 -0.705 25476 10722 1 16 . 1 1 105 105 GLU HA H 105 3.440 3.440 4.062 -0.622 25476 10723 1 16 . 1 1 105 105 GLU C C 105 177.990 177.990 178.451 -0.461 25476 10724 1 16 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.146 0.464 25476 10725 1 16 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.777 -0.477 25476 10726 1 16 . 1 1 105 105 GLU H H 105 7.890 7.890 7.749 0.141 25476 10727 1 16 . 1 1 106 106 LYS N N 106 117.260 117.260 119.753 -2.493 25476 10728 1 16 . 1 1 106 106 LYS HA H 106 3.970 3.970 3.961 0.009 25476 10729 1 16 . 1 1 106 106 LYS C C 106 179.570 179.570 178.833 0.737 25476 10730 1 16 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.911 -0.201 25476 10731 1 16 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.076 0.704 25476 10732 1 16 . 1 1 106 106 LYS H H 106 6.870 6.870 7.332 -0.462 25476 10733 1 16 . 1 1 107 107 LEU N N 107 123.180 123.180 121.183 1.997 25476 10734 1 16 . 1 1 107 107 LEU HA H 107 3.450 3.450 4.008 -0.558 25476 10735 1 16 . 1 1 107 107 LEU C C 107 177.170 177.170 178.463 -1.293 25476 10736 1 16 . 1 1 107 107 LEU CA C 107 57.340 57.340 56.773 0.567 25476 10737 1 16 . 1 1 107 107 LEU CB C 107 41.240 41.240 41.014 0.227 25476 10738 1 16 . 1 1 107 107 LEU H H 107 8.020 8.020 8.551 -0.531 25476 10739 1 16 . 1 1 108 108 ARG N N 108 120.070 120.070 118.956 1.114 25476 10740 1 16 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.777 -0.367 25476 10741 1 16 . 1 1 108 108 ARG C C 108 178.460 178.460 178.664 -0.204 25476 10742 1 16 . 1 1 108 108 ARG CA C 108 59.640 59.640 59.593 0.047 25476 10743 1 16 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.329 -0.119 25476 10744 1 16 . 1 1 108 108 ARG H H 108 8.680 8.680 7.449 1.231 25476 10745 1 16 . 1 1 109 109 ASP N N 109 119.480 119.480 119.135 0.345 25476 10746 1 16 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.324 -0.014 25476 10747 1 16 . 1 1 109 109 ASP C C 109 178.900 178.900 178.460 0.440 25476 10748 1 16 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.271 -0.131 25476 10749 1 16 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.625 -0.755 25476 10750 1 16 . 1 1 109 109 ASP H H 109 7.890 7.890 7.504 0.386 25476 10751 1 16 . 1 1 110 110 LEU N N 110 122.740 122.740 120.681 2.059 25476 10752 1 16 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.956 0.144 25476 10753 1 16 . 1 1 110 110 LEU C C 110 179.830 179.830 178.586 1.244 25476 10754 1 16 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.887 -0.207 25476 10755 1 16 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.907 -0.617 25476 10756 1 16 . 1 1 110 110 LEU H H 110 7.650 7.650 7.242 0.408 25476 10757 1 16 . 1 1 111 111 LEU N N 111 122.170 122.170 118.730 3.440 25476 10758 1 16 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.990 -0.160 25476 10759 1 16 . 1 1 111 111 LEU C C 111 179.990 179.990 179.207 0.783 25476 10760 1 16 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.036 0.574 25476 10761 1 16 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.363 -1.983 25476 10762 1 16 . 1 1 111 111 LEU H H 111 8.320 8.320 7.919 0.401 25476 10763 1 16 . 1 1 112 112 ILE N N 112 122.490 122.490 117.220 5.270 25476 10764 1 16 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.745 0.225 25476 10765 1 16 . 1 1 112 112 ILE C C 112 180.930 180.930 177.273 3.657 25476 10766 1 16 . 1 1 112 112 ILE CA C 112 64.660 64.660 64.949 -0.289 25476 10767 1 16 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.800 -0.480 25476 10768 1 16 . 1 1 112 112 ILE H H 112 8.790 8.790 8.174 0.616 25476 10769 1 16 . 1 1 113 113 SER N N 113 119.860 119.860 115.429 4.431 25476 10770 1 16 . 1 1 113 113 SER HA H 113 4.400 4.400 4.306 0.094 25476 10771 1 16 . 1 1 113 113 SER C C 113 174.520 174.520 175.722 -1.202 25476 10772 1 16 . 1 1 113 113 SER CA C 113 61.390 61.390 60.612 0.778 25476 10773 1 16 . 1 1 113 113 SER CB C 113 62.630 62.630 63.508 -0.878 25476 10774 1 16 . 1 1 113 113 SER H H 113 7.720 7.720 7.688 0.032 25476 10775 1 16 . 1 1 114 114 MET N N 114 121.890 121.890 116.270 5.620 25476 10776 1 16 . 1 1 114 114 MET HA H 114 4.530 4.530 4.684 -0.154 25476 10777 1 16 . 1 1 114 114 MET C C 114 173.850 173.850 175.563 -1.713 25476 10778 1 16 . 1 1 114 114 MET CA C 114 55.330 55.330 55.375 -0.045 25476 10779 1 16 . 1 1 114 114 MET CB C 114 34.040 34.040 33.832 0.208 25476 10780 1 16 . 1 1 114 114 MET H H 114 7.480 7.480 7.242 0.238 25476 10781 1 16 . 1 1 115 115 GLU N N 115 114.160 114.160 116.608 -2.448 25476 10782 1 16 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.961 -0.061 25476 10783 1 16 . 1 1 115 115 GLU C C 115 174.880 174.880 175.161 -0.281 25476 10784 1 16 . 1 1 115 115 GLU CA C 115 57.270 57.270 57.008 0.262 25476 10785 1 16 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.425 -0.915 25476 10786 1 16 . 1 1 115 115 GLU H H 115 8.110 8.110 7.930 0.180 25476 10787 1 16 . 1 1 116 116 LEU N N 116 119.870 119.870 120.153 -0.283 25476 10788 1 16 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.485 0.175 25476 10789 1 16 . 1 1 116 116 LEU C C 116 174.910 174.910 176.589 -1.679 25476 10790 1 16 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.466 -0.366 25476 10791 1 16 . 1 1 116 116 LEU CB C 116 45.570 45.570 42.901 2.669 25476 10792 1 16 . 1 1 116 116 LEU H H 116 7.970 7.970 8.129 -0.159 25476 10793 1 16 . 1 1 117 117 ALA N N 117 123.730 123.730 127.479 -3.749 25476 10794 1 16 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.418 0.032 25476 10795 1 16 . 1 1 117 117 ALA C C 117 174.870 174.870 176.471 -1.601 25476 10796 1 16 . 1 1 117 117 ALA CA C 117 50.870 50.870 51.498 -0.628 25476 10797 1 16 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.326 0.374 25476 10798 1 16 . 1 1 117 117 ALA H H 117 7.530 7.530 8.484 -0.954 25476 10799 1 16 . 1 1 118 118 LEU N N 118 121.610 121.610 120.381 1.229 25476 10800 1 16 . 1 1 118 118 LEU HA H 118 5.480 5.480 4.709 0.771 25476 10801 1 16 . 1 1 118 118 LEU C C 118 175.560 175.560 176.825 -1.265 25476 10802 1 16 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.352 -0.512 25476 10803 1 16 . 1 1 118 118 LEU CB C 118 43.490 43.490 42.666 0.824 25476 10804 1 16 . 1 1 118 118 LEU H H 118 8.250 8.250 8.467 -0.217 25476 10805 1 16 . 1 1 119 119 GLU N N 119 127.300 127.300 122.901 4.399 25476 10806 1 16 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.859 0.261 25476 10807 1 16 . 1 1 119 119 GLU C C 119 171.510 171.510 174.587 -3.077 25476 10808 1 16 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.206 -0.236 25476 10809 1 16 . 1 1 119 119 GLU CB C 119 32.870 32.870 31.590 1.280 25476 10810 1 16 . 1 1 119 119 GLU H H 119 8.730 8.730 8.437 0.293 25476 10811 1 16 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.360 0.210 25476 10812 1 16 . 1 1 120 120 PRO C C 120 176.420 176.420 175.691 0.729 25476 10813 1 16 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.300 -0.540 25476 10814 1 16 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.654 -0.264 25476 10815 1 16 . 1 1 121 121 SER N N 121 117.040 117.040 113.423 3.617 25476 10816 1 16 . 1 1 121 121 SER HA H 121 4.060 4.060 4.549 -0.489 25476 10817 1 16 . 1 1 121 121 SER C C 121 175.150 175.150 175.853 -0.703 25476 10818 1 16 . 1 1 121 121 SER CA C 121 59.230 59.230 56.957 2.273 25476 10819 1 16 . 1 1 121 121 SER CB C 121 62.970 62.970 64.317 -1.347 25476 10820 1 16 . 1 1 121 121 SER H H 121 8.690 8.690 7.957 0.733 25476 10821 1 16 . 1 1 122 122 ASP N N 122 124.140 124.140 127.788 -3.648 25476 10822 1 16 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.487 -0.117 25476 10823 1 16 . 1 1 122 122 ASP C C 122 176.240 176.240 176.055 0.185 25476 10824 1 16 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.540 0.560 25476 10825 1 16 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.780 -0.590 25476 10826 1 16 . 1 1 122 122 ASP H H 122 8.830 8.830 8.770 0.060 25476 10827 1 16 . 1 1 123 123 ASP N N 123 115.720 115.720 118.321 -2.601 25476 10828 1 16 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.775 -0.155 25476 10829 1 16 . 1 1 123 123 ASP C C 123 174.850 174.850 175.125 -0.275 25476 10830 1 16 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.453 -0.663 25476 10831 1 16 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.450 -0.180 25476 10832 1 16 . 1 1 123 123 ASP H H 123 8.210 8.210 7.663 0.547 25476 10833 1 16 . 1 1 124 124 PHE N N 124 122.440 122.440 121.956 0.484 25476 10834 1 16 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.487 0.543 25476 10835 1 16 . 1 1 124 124 PHE C C 124 174.040 174.040 174.638 -0.598 25476 10836 1 16 . 1 1 124 124 PHE CA C 124 56.040 56.040 58.387 -2.347 25476 10837 1 16 . 1 1 124 124 PHE CB C 124 42.170 42.170 39.539 2.631 25476 10838 1 16 . 1 1 124 124 PHE H H 124 8.060 8.060 7.859 0.201 25476 10839 1 16 . 1 1 125 125 ASN N N 125 126.850 126.850 124.317 2.533 25476 10840 1 16 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.676 0.064 25476 10841 1 16 . 1 1 125 125 ASN C C 125 175.070 175.070 173.949 1.121 25476 10842 1 16 . 1 1 125 125 ASN CA C 125 53.430 53.430 52.541 0.889 25476 10843 1 16 . 1 1 125 125 ASN CB C 125 39.730 39.730 38.784 0.946 25476 10844 1 16 . 1 1 125 125 ASN H H 125 7.700 7.700 8.552 -0.852 25476 10845 1 16 . 1 1 126 126 ASP N N 126 120.330 120.330 117.815 2.515 25476 10846 1 16 . 1 1 126 126 ASP HA H 126 4.130 4.130 3.985 0.145 25476 10847 1 16 . 1 1 126 126 ASP C C 126 176.280 176.280 174.644 1.636 25476 10848 1 16 . 1 1 126 126 ASP CA C 126 56.030 56.030 55.017 1.013 25476 10849 1 16 . 1 1 126 126 ASP CB C 126 39.100 39.100 39.901 -0.801 25476 10850 1 16 . 1 1 126 126 ASP H H 126 7.300 7.300 7.581 -0.281 25476 10851 1 16 . 1 1 127 127 GLU N N 127 127.840 127.840 118.904 8.936 25476 10852 1 16 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.430 -0.070 25476 10853 1 16 . 1 1 127 127 GLU CA C 127 55.470 55.470 53.909 1.561 25476 10854 1 16 . 1 1 127 127 GLU H H 127 8.320 8.320 7.484 0.836 25476 10855 1 16 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.761 -0.091 25476 10856 1 16 . 1 1 128 128 PRO C C 128 176.010 176.010 176.407 -0.397 25476 10857 1 16 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.735 0.895 25476 10858 1 16 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.440 -0.500 25476 10859 1 16 . 1 1 129 129 VAL N N 129 122.940 122.940 118.503 4.437 25476 10860 1 16 . 1 1 129 129 VAL HA H 129 3.990 3.990 4.070 -0.080 25476 10861 1 16 . 1 1 129 129 VAL C C 129 173.650 173.650 175.041 -1.391 25476 10862 1 16 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.227 -1.247 25476 10863 1 16 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.661 -0.531 25476 10864 1 16 . 1 1 129 129 VAL H H 129 7.990 7.990 7.908 0.082 25476 10865 1 16 . 1 1 130 130 LYS N N 130 124.620 124.620 126.790 -2.170 25476 10866 1 16 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.541 -0.031 25476 10867 1 16 . 1 1 130 130 LYS C C 130 174.900 174.900 176.538 -1.638 25476 10868 1 16 . 1 1 130 130 LYS CA C 130 53.150 53.150 55.891 -2.741 25476 10869 1 16 . 1 1 130 130 LYS CB C 130 34.510 34.510 32.471 2.039 25476 10870 1 16 . 1 1 130 130 LYS H H 130 8.240 8.240 8.314 -0.074 25476 10871 1 16 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.375 -0.575 25476 10872 1 16 . 1 1 131 131 LEU C C 131 178.400 178.400 177.636 0.764 25476 10873 1 16 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.038 0.011 25476 10874 1 16 . 1 1 131 131 LEU CB C 131 40.800 40.800 42.444 -1.644 25476 10875 1 16 . 1 1 132 132 SER N N 132 115.550 115.550 114.649 0.901 25476 10876 1 16 . 1 1 132 132 SER HA H 132 4.610 4.610 4.415 0.195 25476 10877 1 16 . 1 1 132 132 SER C C 132 172.970 172.970 173.590 -0.620 25476 10878 1 16 . 1 1 132 132 SER CA C 132 58.620 58.620 58.242 0.377 25476 10879 1 16 . 1 1 132 132 SER CB C 132 63.310 63.310 61.939 1.371 25476 10880 1 16 . 1 1 132 132 SER H H 132 9.070 9.070 8.134 0.936 25476 10881 1 17 . 1 1 2 2 THR N N 2 118.280 118.280 114.982 3.298 25476 10882 1 17 . 1 1 2 2 THR HA H 2 4.550 4.550 4.476 0.074 25476 10883 1 17 . 1 1 2 2 THR C C 2 174.150 174.150 174.988 -0.838 25476 10884 1 17 . 1 1 2 2 THR CA C 2 61.600 61.600 61.542 0.058 25476 10885 1 17 . 1 1 2 2 THR CB C 2 69.970 69.970 70.315 -0.345 25476 10886 1 17 . 1 1 2 2 THR H H 2 8.470 8.470 7.643 0.827 25476 10887 1 17 . 1 1 3 3 LEU N N 3 125.130 125.130 121.490 3.640 25476 10888 1 17 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.597 0.063 25476 10889 1 17 . 1 1 3 3 LEU C C 3 176.690 176.690 178.182 -1.492 25476 10890 1 17 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.330 0.210 25476 10891 1 17 . 1 1 3 3 LEU CB C 3 40.050 40.050 41.030 -0.980 25476 10892 1 17 . 1 1 3 3 LEU H H 3 8.580 8.580 8.181 0.399 25476 10893 1 17 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.329 0.031 25476 10894 1 17 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.747 0.723 25476 10895 1 17 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.737 0.153 25476 10896 1 17 . 1 1 5 5 SER HA H 5 4.580 4.580 4.353 0.227 25476 10897 1 17 . 1 1 5 5 SER C C 5 175.510 175.510 175.518 -0.008 25476 10898 1 17 . 1 1 5 5 SER CA C 5 59.410 59.410 58.422 0.988 25476 10899 1 17 . 1 1 5 5 SER CB C 5 63.110 63.110 63.375 -0.265 25476 10900 1 17 . 1 1 6 6 GLY N N 6 112.010 112.010 109.271 2.739 25476 10901 1 17 . 1 1 6 6 GLY C C 6 173.300 173.300 174.492 -1.192 25476 10902 1 17 . 1 1 6 6 GLY CA C 6 44.530 44.530 45.032 -0.502 25476 10903 1 17 . 1 1 6 6 GLY H H 6 8.620 8.620 7.654 0.966 25476 10904 1 17 . 1 1 7 7 HIS N N 7 119.440 119.440 120.623 -1.183 25476 10905 1 17 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.992 -0.312 25476 10906 1 17 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.545 2.795 25476 10907 1 17 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.756 0.274 25476 10908 1 17 . 1 1 7 7 HIS H H 7 7.170 7.170 7.894 -0.724 25476 10909 1 17 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.519 0.271 25476 10910 1 17 . 1 1 8 8 PRO C C 8 178.140 178.140 177.124 1.016 25476 10911 1 17 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.016 -0.166 25476 10912 1 17 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.900 -0.920 25476 10913 1 17 . 1 1 9 9 LYS N N 9 127.570 127.570 127.410 0.160 25476 10914 1 17 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.135 0.035 25476 10915 1 17 . 1 1 9 9 LYS C C 9 178.050 178.050 178.663 -0.613 25476 10916 1 17 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.835 -0.005 25476 10917 1 17 . 1 1 9 9 LYS H H 9 9.000 9.000 8.837 0.163 25476 10918 1 17 . 1 1 10 10 SER N N 10 113.610 113.610 114.649 -1.039 25476 10919 1 17 . 1 1 10 10 SER HA H 10 4.120 4.120 4.281 -0.161 25476 10920 1 17 . 1 1 10 10 SER C C 10 176.750 176.750 176.495 0.255 25476 10921 1 17 . 1 1 10 10 SER CA C 10 61.050 61.050 61.616 -0.566 25476 10922 1 17 . 1 1 10 10 SER H H 10 9.170 9.170 8.371 0.799 25476 10923 1 17 . 1 1 11 11 ARG N N 11 122.220 122.220 121.174 1.046 25476 10924 1 17 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.121 0.029 25476 10925 1 17 . 1 1 11 11 ARG C C 11 177.890 177.890 178.384 -0.494 25476 10926 1 17 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.851 -0.571 25476 10927 1 17 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.613 0.397 25476 10928 1 17 . 1 1 11 11 ARG H H 11 7.100 7.100 8.464 -1.364 25476 10929 1 17 . 1 1 12 12 LEU N N 12 121.360 121.360 120.988 0.372 25476 10930 1 17 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.780 -0.210 25476 10931 1 17 . 1 1 12 12 LEU C C 12 177.890 177.890 178.782 -0.892 25476 10932 1 17 . 1 1 12 12 LEU CA C 12 56.000 56.000 57.971 -1.971 25476 10933 1 17 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.140 -1.700 25476 10934 1 17 . 1 1 12 12 LEU H H 12 7.220 7.220 7.753 -0.533 25476 10935 1 17 . 1 1 13 13 ILE N N 13 118.920 118.920 120.206 -1.286 25476 10936 1 17 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.913 -0.143 25476 10937 1 17 . 1 1 13 13 ILE C C 13 179.060 179.060 178.714 0.346 25476 10938 1 17 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.664 0.466 25476 10939 1 17 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.847 -0.417 25476 10940 1 17 . 1 1 13 13 ILE H H 13 8.590 8.590 8.359 0.231 25476 10941 1 17 . 1 1 14 14 LYS N N 14 121.950 121.950 119.443 2.507 25476 10942 1 17 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.104 0.026 25476 10943 1 17 . 1 1 14 14 LYS C C 14 179.810 179.810 179.092 0.718 25476 10944 1 17 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.728 1.332 25476 10945 1 17 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.053 0.027 25476 10946 1 17 . 1 1 14 14 LYS H H 14 7.730 7.730 8.090 -0.360 25476 10947 1 17 . 1 1 15 15 LYS N N 15 119.750 119.750 118.754 0.996 25476 10948 1 17 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.988 0.132 25476 10949 1 17 . 1 1 15 15 LYS C C 15 179.700 179.700 179.338 0.362 25476 10950 1 17 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.203 -0.473 25476 10951 1 17 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.429 -0.479 25476 10952 1 17 . 1 1 15 15 LYS H H 15 7.800 7.800 7.922 -0.122 25476 10953 1 17 . 1 1 16 16 PHE N N 16 117.660 117.660 119.038 -1.378 25476 10954 1 17 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.224 0.536 25476 10955 1 17 . 1 1 16 16 PHE C C 16 180.960 180.960 178.026 2.934 25476 10956 1 17 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.124 -3.484 25476 10957 1 17 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.183 0.617 25476 10958 1 17 . 1 1 16 16 PHE H H 16 9.130 9.130 8.482 0.648 25476 10959 1 17 . 1 1 17 17 THR N N 17 120.130 120.130 115.878 4.252 25476 10960 1 17 . 1 1 17 17 THR HA H 17 4.370 4.370 3.886 0.484 25476 10961 1 17 . 1 1 17 17 THR C C 17 175.550 175.550 176.106 -0.556 25476 10962 1 17 . 1 1 17 17 THR CA C 17 66.840 66.840 66.172 0.668 25476 10963 1 17 . 1 1 17 17 THR CB C 17 68.920 68.920 68.221 0.699 25476 10964 1 17 . 1 1 17 17 THR H H 17 8.940 8.940 7.777 1.163 25476 10965 1 17 . 1 1 18 18 ALA N N 18 122.170 122.170 122.786 -0.616 25476 10966 1 17 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.191 0.189 25476 10967 1 17 . 1 1 18 18 ALA C C 18 178.110 178.110 177.786 0.324 25476 10968 1 17 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.210 0.180 25476 10969 1 17 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.453 -0.153 25476 10970 1 17 . 1 1 18 18 ALA H H 18 7.310 7.310 7.642 -0.332 25476 10971 1 17 . 1 1 19 19 LEU N N 19 116.080 116.080 116.778 -0.698 25476 10972 1 17 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.332 0.038 25476 10973 1 17 . 1 1 19 19 LEU C C 19 176.620 176.620 176.099 0.521 25476 10974 1 17 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.097 2.533 25476 10975 1 17 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.029 0.391 25476 10976 1 17 . 1 1 19 19 LEU H H 19 7.580 7.580 7.763 -0.183 25476 10977 1 17 . 1 1 20 20 GLY N N 20 103.280 103.280 106.970 -3.690 25476 10978 1 17 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.908 -0.848 25476 10979 1 17 . 1 1 20 20 GLY H H 20 7.650 7.650 7.246 0.404 25476 10980 1 17 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.324 0.546 25476 10981 1 17 . 1 1 21 21 PRO C C 21 174.850 174.850 176.215 -1.365 25476 10982 1 17 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.334 0.806 25476 10983 1 17 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.297 -3.397 25476 10984 1 17 . 1 1 22 22 TYR N N 22 120.690 120.690 117.194 3.496 25476 10985 1 17 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.240 0.940 25476 10986 1 17 . 1 1 22 22 TYR C C 22 176.340 176.340 176.678 -0.338 25476 10987 1 17 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.326 -1.546 25476 10988 1 17 . 1 1 22 22 TYR CB C 22 41.500 41.500 37.932 3.567 25476 10989 1 17 . 1 1 22 22 TYR H H 22 7.680 7.680 8.257 -0.577 25476 10990 1 17 . 1 1 23 23 ILE N N 23 119.130 119.130 123.661 -4.531 25476 10991 1 17 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.029 0.091 25476 10992 1 17 . 1 1 23 23 ILE C C 23 174.210 174.210 176.245 -2.035 25476 10993 1 17 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.152 0.678 25476 10994 1 17 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.276 0.224 25476 10995 1 17 . 1 1 23 23 ILE H H 23 8.860 8.860 8.559 0.301 25476 10996 1 17 . 1 1 24 24 ARG N N 24 126.540 126.540 128.632 -2.092 25476 10997 1 17 . 1 1 24 24 ARG C C 24 177.290 177.290 175.750 1.540 25476 10998 1 17 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.949 -3.859 25476 10999 1 17 . 1 1 24 24 ARG H H 24 8.100 8.100 8.684 -0.584 25476 11000 1 17 . 1 1 25 25 GLU N N 25 126.990 126.990 125.745 1.245 25476 11001 1 17 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.594 -0.494 25476 11002 1 17 . 1 1 25 25 GLU C C 25 176.780 176.780 176.304 0.476 25476 11003 1 17 . 1 1 25 25 GLU CA C 25 60.860 60.860 55.380 5.480 25476 11004 1 17 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.649 -0.999 25476 11005 1 17 . 1 1 25 25 GLU H H 25 9.400 9.400 7.807 1.593 25476 11006 1 17 . 1 1 26 26 GLY N N 26 109.830 109.830 108.222 1.608 25476 11007 1 17 . 1 1 26 26 GLY C C 26 174.380 174.380 173.327 1.053 25476 11008 1 17 . 1 1 26 26 GLY CA C 26 45.520 45.520 45.476 0.044 25476 11009 1 17 . 1 1 26 26 GLY H H 26 8.070 8.070 8.530 -0.460 25476 11010 1 17 . 1 1 27 27 GLN N N 27 117.670 117.670 121.821 -4.151 25476 11011 1 17 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.504 -0.194 25476 11012 1 17 . 1 1 27 27 GLN C C 27 175.350 175.350 176.587 -1.237 25476 11013 1 17 . 1 1 27 27 GLN CA C 27 55.320 55.320 54.496 0.824 25476 11014 1 17 . 1 1 27 27 GLN CB C 27 29.340 29.340 31.911 -2.571 25476 11015 1 17 . 1 1 27 27 GLN H H 27 7.690 7.690 7.936 -0.246 25476 11016 1 17 . 1 1 28 28 CYS N N 28 119.770 119.770 122.385 -2.615 25476 11017 1 17 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.230 0.310 25476 11018 1 17 . 1 1 28 28 CYS C C 28 173.480 173.480 174.569 -1.089 25476 11019 1 17 . 1 1 28 28 CYS CA C 28 58.810 58.810 60.981 -2.171 25476 11020 1 17 . 1 1 28 28 CYS CB C 28 27.070 27.070 28.230 -1.160 25476 11021 1 17 . 1 1 28 28 CYS H H 28 7.510 7.510 8.569 -1.059 25476 11022 1 17 . 1 1 29 29 GLU N N 29 124.370 124.370 119.193 5.177 25476 11023 1 17 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.509 0.031 25476 11024 1 17 . 1 1 29 29 GLU C C 29 174.810 174.810 174.432 0.378 25476 11025 1 17 . 1 1 29 29 GLU CA C 29 55.560 55.560 55.638 -0.078 25476 11026 1 17 . 1 1 29 29 GLU CB C 29 30.030 30.030 28.587 1.444 25476 11027 1 17 . 1 1 29 29 GLU H H 29 7.840 7.840 7.979 -0.139 25476 11028 1 17 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.726 -0.146 25476 11029 1 17 . 1 1 31 31 ASN CA C 31 53.450 53.450 53.344 0.106 25476 11030 1 17 . 1 1 31 31 ASN CB C 31 39.200 39.200 39.726 -0.526 25476 11031 1 17 . 1 1 32 32 ARG HA H 32 5.510 5.510 5.146 0.364 25476 11032 1 17 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.762 0.288 25476 11033 1 17 . 1 1 32 32 ARG CB C 32 33.480 33.480 34.096 -0.616 25476 11034 1 17 . 1 1 34 34 PHE HA H 34 5.240 5.240 5.005 0.235 25476 11035 1 17 . 1 1 34 34 PHE C C 34 172.210 172.210 173.459 -1.249 25476 11036 1 17 . 1 1 34 34 PHE CA C 34 57.690 57.690 55.468 2.222 25476 11037 1 17 . 1 1 34 34 PHE CB C 34 44.100 44.100 40.798 3.302 25476 11038 1 17 . 1 1 35 35 PHE N N 35 125.800 125.800 121.521 4.279 25476 11039 1 17 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.754 0.416 25476 11040 1 17 . 1 1 35 35 PHE C C 35 173.110 173.110 174.611 -1.501 25476 11041 1 17 . 1 1 35 35 PHE CA C 35 54.860 54.860 55.165 -0.305 25476 11042 1 17 . 1 1 35 35 PHE CB C 35 43.250 43.250 41.117 2.132 25476 11043 1 17 . 1 1 35 35 PHE H H 35 8.660 8.660 7.884 0.776 25476 11044 1 17 . 1 1 36 36 ASP N N 36 120.960 120.960 124.279 -3.319 25476 11045 1 17 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.831 -0.251 25476 11046 1 17 . 1 1 36 36 ASP CA C 36 54.160 54.160 53.397 0.763 25476 11047 1 17 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.295 -0.265 25476 11048 1 17 . 1 1 36 36 ASP H H 36 9.370 9.370 8.553 0.817 25476 11049 1 17 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.502 -0.512 25476 11050 1 17 . 1 1 37 37 CYS C C 37 173.460 173.460 173.214 0.246 25476 11051 1 17 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.211 0.399 25476 11052 1 17 . 1 1 37 37 CYS CB C 37 27.170 27.170 29.832 -2.662 25476 11053 1 17 . 1 1 38 38 LEU N N 38 131.890 131.890 127.223 4.667 25476 11054 1 17 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.834 -0.624 25476 11055 1 17 . 1 1 38 38 LEU C C 38 175.570 175.570 176.703 -1.133 25476 11056 1 17 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.827 -1.296 25476 11057 1 17 . 1 1 38 38 LEU CB C 38 37.270 37.270 42.365 -5.095 25476 11058 1 17 . 1 1 38 38 LEU H H 38 8.430 8.430 8.541 -0.111 25476 11059 1 17 . 1 1 39 39 ALA N N 39 127.100 127.100 130.819 -3.719 25476 11060 1 17 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.661 -0.321 25476 11061 1 17 . 1 1 39 39 ALA C C 39 178.500 178.500 177.000 1.500 25476 11062 1 17 . 1 1 39 39 ALA CA C 39 55.380 55.380 52.784 2.596 25476 11063 1 17 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.683 0.427 25476 11064 1 17 . 1 1 39 39 ALA H H 39 7.960 7.960 9.003 -1.043 25476 11065 1 17 . 1 1 40 40 VAL N N 40 116.260 116.260 117.403 -1.143 25476 11066 1 17 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.480 0.140 25476 11067 1 17 . 1 1 40 40 VAL C C 40 173.990 173.990 174.905 -0.915 25476 11068 1 17 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.166 0.774 25476 11069 1 17 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.892 0.588 25476 11070 1 17 . 1 1 40 40 VAL H H 40 8.590 8.590 8.008 0.582 25476 11071 1 17 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.462 -0.582 25476 11072 1 17 . 1 1 41 41 CYS C C 41 174.640 174.640 176.095 -1.455 25476 11073 1 17 . 1 1 41 41 CYS CA C 41 59.280 59.280 59.100 0.180 25476 11074 1 17 . 1 1 41 41 CYS CB C 41 26.700 26.700 27.803 -1.103 25476 11075 1 17 . 1 1 42 42 VAL N N 42 131.320 131.320 121.830 9.490 25476 11076 1 17 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.697 -0.217 25476 11077 1 17 . 1 1 42 42 VAL C C 42 176.270 176.270 176.092 0.178 25476 11078 1 17 . 1 1 42 42 VAL CA C 42 65.390 65.390 63.678 1.712 25476 11079 1 17 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.448 0.392 25476 11080 1 17 . 1 1 42 42 VAL H H 42 8.610 8.610 8.273 0.337 25476 11081 1 17 . 1 1 43 43 ASN N N 43 116.070 116.070 116.531 -0.461 25476 11082 1 17 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.537 0.253 25476 11083 1 17 . 1 1 43 43 ASN C C 43 175.160 175.160 173.622 1.538 25476 11084 1 17 . 1 1 43 43 ASN CA C 43 52.690 52.690 54.096 -1.406 25476 11085 1 17 . 1 1 43 43 ASN CB C 43 39.940 39.940 37.942 1.998 25476 11086 1 17 . 1 1 43 43 ASN H H 43 7.280 7.280 8.254 -0.974 25476 11087 1 17 . 1 1 44 44 VAL N N 44 121.350 121.350 122.603 -1.253 25476 11088 1 17 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.370 -0.250 25476 11089 1 17 . 1 1 44 44 VAL C C 44 175.460 175.460 175.227 0.233 25476 11090 1 17 . 1 1 44 44 VAL CA C 44 61.930 61.930 60.194 1.736 25476 11091 1 17 . 1 1 44 44 VAL CB C 44 31.630 31.630 35.272 -3.642 25476 11092 1 17 . 1 1 44 44 VAL H H 44 8.520 8.520 8.159 0.361 25476 11093 1 17 . 1 1 45 45 LYS N N 45 123.190 123.190 120.923 2.267 25476 11094 1 17 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.199 0.011 25476 11095 1 17 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.196 0.884 25476 11096 1 17 . 1 1 45 45 LYS CB C 45 30.500 30.500 31.140 -0.640 25476 11097 1 17 . 1 1 45 45 LYS H H 45 8.100 8.100 8.517 -0.417 25476 11098 1 17 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.441 -0.071 25476 11099 1 17 . 1 1 46 46 PRO C C 46 174.380 174.380 175.822 -1.442 25476 11100 1 17 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.481 0.579 25476 11101 1 17 . 1 1 46 46 PRO CB C 46 31.660 31.660 32.213 -0.553 25476 11102 1 17 . 1 1 47 47 ALA N N 47 124.500 124.500 124.031 0.469 25476 11103 1 17 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.279 0.191 25476 11104 1 17 . 1 1 47 47 ALA C C 47 176.130 176.130 178.222 -2.092 25476 11105 1 17 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.790 -1.050 25476 11106 1 17 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.491 -1.191 25476 11107 1 17 . 1 1 47 47 ALA H H 47 8.300 8.300 8.413 -0.113 25476 11108 1 17 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.398 -0.588 25476 11109 1 17 . 1 1 48 48 PRO C C 48 178.270 178.270 178.320 -0.050 25476 11110 1 17 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.953 1.197 25476 11111 1 17 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.065 -0.075 25476 11112 1 17 . 1 1 49 49 GLU N N 49 116.300 116.300 118.171 -1.871 25476 11113 1 17 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.221 0.069 25476 11114 1 17 . 1 1 49 49 GLU C C 49 176.550 176.550 177.197 -0.647 25476 11115 1 17 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.581 -0.461 25476 11116 1 17 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.526 -0.236 25476 11117 1 17 . 1 1 49 49 GLU H H 49 9.390 9.390 9.186 0.204 25476 11118 1 17 . 1 1 50 50 LYS N N 50 120.030 120.030 117.010 3.020 25476 11119 1 17 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.349 0.111 25476 11120 1 17 . 1 1 50 50 LYS C C 50 175.070 175.070 176.100 -1.030 25476 11121 1 17 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.738 -1.068 25476 11122 1 17 . 1 1 50 50 LYS CB C 50 33.170 33.170 33.620 -0.451 25476 11123 1 17 . 1 1 50 50 LYS H H 50 8.350 8.350 7.490 0.860 25476 11124 1 17 . 1 1 51 51 ARG N N 51 119.720 119.720 120.388 -0.668 25476 11125 1 17 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.371 -0.071 25476 11126 1 17 . 1 1 51 51 ARG C C 51 174.530 174.530 174.135 0.395 25476 11127 1 17 . 1 1 51 51 ARG CA C 51 56.690 56.690 54.911 1.779 25476 11128 1 17 . 1 1 51 51 ARG CB C 51 32.000 32.000 32.812 -0.812 25476 11129 1 17 . 1 1 51 51 ARG H H 51 7.220 7.220 7.400 -0.180 25476 11130 1 17 . 1 1 52 52 GLU N N 52 119.700 119.700 118.783 0.917 25476 11131 1 17 . 1 1 52 52 GLU HA H 52 4.690 4.690 3.767 0.923 25476 11132 1 17 . 1 1 52 52 GLU C C 52 175.260 175.260 175.406 -0.146 25476 11133 1 17 . 1 1 52 52 GLU CA C 52 54.730 54.730 56.193 -1.463 25476 11134 1 17 . 1 1 52 52 GLU H H 52 8.690 8.690 8.142 0.548 25476 11135 1 17 . 1 1 53 53 PHE N N 53 116.950 116.950 117.187 -0.237 25476 11136 1 17 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.610 0.550 25476 11137 1 17 . 1 1 53 53 PHE C C 53 174.970 174.970 175.087 -0.117 25476 11138 1 17 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.770 1.190 25476 11139 1 17 . 1 1 53 53 PHE CB C 53 44.210 44.210 41.702 2.508 25476 11140 1 17 . 1 1 53 53 PHE H H 53 8.590 8.590 7.423 1.167 25476 11141 1 17 . 1 1 54 54 TRP N N 54 123.100 123.100 119.497 3.603 25476 11142 1 17 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.785 1.115 25476 11143 1 17 . 1 1 54 54 TRP C C 54 177.820 177.820 176.098 1.722 25476 11144 1 17 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.383 -1.143 25476 11145 1 17 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.913 0.957 25476 11146 1 17 . 1 1 54 54 TRP H H 54 9.520 9.520 8.834 0.686 25476 11147 1 17 . 1 1 55 55 GLY N N 55 110.840 110.840 110.691 0.149 25476 11148 1 17 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.166 2.074 25476 11149 1 17 . 1 1 55 55 GLY H H 55 9.550 9.550 8.402 1.148 25476 11150 1 17 . 1 1 57 57 TRP HA H 57 5.210 5.210 5.623 -0.413 25476 11151 1 17 . 1 1 57 57 TRP CA C 57 57.700 57.700 54.378 3.322 25476 11152 1 17 . 1 1 58 58 MET N N 58 122.630 122.630 124.974 -2.344 25476 11153 1 17 . 1 1 58 58 MET HA H 58 4.370 4.370 4.843 -0.473 25476 11154 1 17 . 1 1 58 58 MET CA C 58 55.230 55.230 54.236 0.994 25476 11155 1 17 . 1 1 58 58 MET CB C 58 35.910 35.910 33.982 1.928 25476 11156 1 17 . 1 1 58 58 MET H H 58 9.680 9.680 8.466 1.214 25476 11157 1 17 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.958 0.472 25476 11158 1 17 . 1 1 59 59 GLU C C 59 175.570 175.570 175.265 0.305 25476 11159 1 17 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.664 -0.404 25476 11160 1 17 . 1 1 60 60 LEU N N 60 126.920 126.920 119.610 7.310 25476 11161 1 17 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.813 1.247 25476 11162 1 17 . 1 1 60 60 LEU C C 60 176.470 176.470 175.256 1.214 25476 11163 1 17 . 1 1 60 60 LEU CA C 60 52.610 52.610 52.642 -0.032 25476 11164 1 17 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.064 2.416 25476 11165 1 17 . 1 1 60 60 LEU H H 60 9.610 9.610 7.907 1.703 25476 11166 1 17 . 1 1 61 61 GLU N N 61 123.560 123.560 120.555 3.005 25476 11167 1 17 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.557 0.623 25476 11168 1 17 . 1 1 61 61 GLU C C 61 174.930 174.930 175.409 -0.479 25476 11169 1 17 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.469 0.580 25476 11170 1 17 . 1 1 61 61 GLU CB C 61 32.200 32.200 32.381 -0.181 25476 11171 1 17 . 1 1 61 61 GLU H H 61 9.070 9.070 8.418 0.652 25476 11172 1 17 . 1 1 62 62 ALA N N 62 129.830 129.830 129.280 0.550 25476 11173 1 17 . 1 1 62 62 ALA HA H 62 3.120 3.120 2.873 0.247 25476 11174 1 17 . 1 1 62 62 ALA C C 62 175.760 175.760 176.963 -1.203 25476 11175 1 17 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.627 0.053 25476 11176 1 17 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.731 2.599 25476 11177 1 17 . 1 1 62 62 ALA H H 62 9.030 9.030 8.458 0.572 25476 11178 1 17 . 1 1 63 63 GLN N N 63 122.550 122.550 123.638 -1.088 25476 11179 1 17 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.169 0.581 25476 11180 1 17 . 1 1 63 63 GLN C C 63 175.470 175.470 176.834 -1.364 25476 11181 1 17 . 1 1 63 63 GLN CA C 63 53.940 53.940 55.084 -1.144 25476 11182 1 17 . 1 1 63 63 GLN CB C 63 29.650 29.650 29.733 -0.083 25476 11183 1 17 . 1 1 63 63 GLN H H 63 8.170 8.170 7.907 0.263 25476 11184 1 17 . 1 1 64 64 GLU N N 64 120.760 120.760 119.288 1.472 25476 11185 1 17 . 1 1 64 64 GLU HA H 64 3.550 3.550 3.974 -0.424 25476 11186 1 17 . 1 1 64 64 GLU C C 64 176.740 176.740 176.653 0.087 25476 11187 1 17 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.477 1.863 25476 11188 1 17 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.859 -0.239 25476 11189 1 17 . 1 1 64 64 GLU H H 64 8.730 8.730 8.536 0.194 25476 11190 1 17 . 1 1 65 65 LYS N N 65 112.820 112.820 113.378 -0.558 25476 11191 1 17 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.359 0.271 25476 11192 1 17 . 1 1 65 65 LYS C C 65 175.960 175.960 174.752 1.208 25476 11193 1 17 . 1 1 65 65 LYS CA C 65 54.790 54.790 56.048 -1.258 25476 11194 1 17 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.700 0.600 25476 11195 1 17 . 1 1 65 65 LYS H H 65 8.750 8.750 7.955 0.795 25476 11196 1 17 . 1 1 66 66 ARG N N 66 115.100 115.100 116.567 -1.467 25476 11197 1 17 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.666 0.634 25476 11198 1 17 . 1 1 66 66 ARG C C 66 172.980 172.980 173.429 -0.449 25476 11199 1 17 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.052 -1.522 25476 11200 1 17 . 1 1 66 66 ARG CB C 66 33.000 33.000 32.479 0.521 25476 11201 1 17 . 1 1 66 66 ARG H H 66 7.520 7.520 7.585 -0.065 25476 11202 1 17 . 1 1 67 67 PHE N N 67 119.960 119.960 117.202 2.758 25476 11203 1 17 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.945 0.795 25476 11204 1 17 . 1 1 67 67 PHE C C 67 176.040 176.040 174.980 1.060 25476 11205 1 17 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.287 -1.167 25476 11206 1 17 . 1 1 67 67 PHE CB C 67 41.950 41.950 43.924 -1.974 25476 11207 1 17 . 1 1 67 67 PHE H H 67 9.220 9.220 8.611 0.609 25476 11208 1 17 . 1 1 68 68 THR N N 68 111.030 111.030 116.131 -5.101 25476 11209 1 17 . 1 1 68 68 THR HA H 68 6.310 6.310 4.726 1.584 25476 11210 1 17 . 1 1 68 68 THR C C 68 175.340 175.340 172.567 2.773 25476 11211 1 17 . 1 1 68 68 THR CA C 68 57.990 57.990 60.353 -2.363 25476 11212 1 17 . 1 1 68 68 THR CB C 68 70.260 70.260 70.656 -0.396 25476 11213 1 17 . 1 1 68 68 THR H H 68 9.200 9.200 8.114 1.086 25476 11214 1 17 . 1 1 69 69 TYR N N 69 115.700 115.700 124.469 -8.769 25476 11215 1 17 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.663 1.427 25476 11216 1 17 . 1 1 69 69 TYR C C 69 173.310 173.310 173.624 -0.314 25476 11217 1 17 . 1 1 69 69 TYR CA C 69 55.500 55.500 57.208 -1.708 25476 11218 1 17 . 1 1 69 69 TYR CB C 69 44.600 44.600 42.117 2.483 25476 11219 1 17 . 1 1 69 69 TYR H H 69 8.190 8.190 8.482 -0.292 25476 11220 1 17 . 1 1 70 70 ARG N N 70 115.070 115.070 118.279 -3.209 25476 11221 1 17 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.285 1.225 25476 11222 1 17 . 1 1 70 70 ARG C C 70 175.220 175.220 174.078 1.142 25476 11223 1 17 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.632 0.518 25476 11224 1 17 . 1 1 70 70 ARG CB C 70 32.780 32.780 33.786 -1.006 25476 11225 1 17 . 1 1 70 70 ARG H H 70 8.160 8.160 8.193 -0.033 25476 11226 1 17 . 1 1 71 71 TYR N N 71 118.750 118.750 120.572 -1.822 25476 11227 1 17 . 1 1 71 71 TYR CA C 71 56.120 56.120 57.079 -0.959 25476 11228 1 17 . 1 1 71 71 TYR H H 71 9.220 9.220 8.464 0.756 25476 11229 1 17 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.557 -0.137 25476 11230 1 17 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.426 0.424 25476 11231 1 17 . 1 1 72 72 GLN CB C 72 30.990 30.990 31.580 -0.590 25476 11232 1 17 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.620 1.210 25476 11233 1 17 . 1 1 73 73 PHE C C 73 177.280 177.280 175.940 1.340 25476 11234 1 17 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.346 -3.666 25476 11235 1 17 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.311 -0.511 25476 11236 1 17 . 1 1 74 74 GLY N N 74 108.520 108.520 108.287 0.233 25476 11237 1 17 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.681 1.799 25476 11238 1 17 . 1 1 74 74 GLY H H 74 9.350 9.350 8.219 1.131 25476 11239 1 17 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.254 0.116 25476 11240 1 17 . 1 1 75 75 LEU C C 75 174.270 174.270 174.783 -0.513 25476 11241 1 17 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.533 -0.743 25476 11242 1 17 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.396 0.464 25476 11243 1 17 . 1 1 76 76 PHE N N 76 135.230 135.230 126.118 9.112 25476 11244 1 17 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.048 -0.708 25476 11245 1 17 . 1 1 76 76 PHE C C 76 174.690 174.690 173.767 0.923 25476 11246 1 17 . 1 1 76 76 PHE CA C 76 56.900 56.900 55.496 1.404 25476 11247 1 17 . 1 1 76 76 PHE H H 76 9.840 9.840 8.614 1.226 25476 11248 1 17 . 1 1 77 77 ASP N N 77 125.580 125.580 124.485 1.095 25476 11249 1 17 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.469 -0.139 25476 11250 1 17 . 1 1 77 77 ASP C C 77 178.310 178.310 175.733 2.577 25476 11251 1 17 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.356 0.394 25476 11252 1 17 . 1 1 77 77 ASP CB C 77 42.460 42.460 42.723 -0.263 25476 11253 1 17 . 1 1 77 77 ASP H H 77 7.940 7.940 8.107 -0.167 25476 11254 1 17 . 1 1 78 78 LYS N N 78 116.610 116.610 115.179 1.431 25476 11255 1 17 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.875 0.215 25476 11256 1 17 . 1 1 78 78 LYS C C 78 176.910 176.910 177.523 -0.613 25476 11257 1 17 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.634 -1.054 25476 11258 1 17 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.274 -1.244 25476 11259 1 17 . 1 1 78 78 LYS H H 78 9.030 9.030 8.173 0.857 25476 11260 1 17 . 1 1 79 79 GLU N N 79 120.510 120.510 118.613 1.897 25476 11261 1 17 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.246 0.014 25476 11262 1 17 . 1 1 79 79 GLU C C 79 176.160 176.160 176.931 -0.771 25476 11263 1 17 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.293 -0.963 25476 11264 1 17 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.882 -0.462 25476 11265 1 17 . 1 1 79 79 GLU H H 79 7.850 7.850 7.860 -0.010 25476 11266 1 17 . 1 1 80 80 GLY N N 80 109.610 109.610 107.834 1.776 25476 11267 1 17 . 1 1 80 80 GLY C C 80 172.820 172.820 173.582 -0.762 25476 11268 1 17 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.602 -0.222 25476 11269 1 17 . 1 1 80 80 GLY H H 80 7.800 7.800 8.028 -0.228 25476 11270 1 17 . 1 1 81 81 ASN N N 81 117.680 117.680 117.424 0.256 25476 11271 1 17 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.331 0.379 25476 11272 1 17 . 1 1 81 81 ASN C C 81 174.110 174.110 173.965 0.145 25476 11273 1 17 . 1 1 81 81 ASN CA C 81 51.160 51.160 51.242 -0.083 25476 11274 1 17 . 1 1 81 81 ASN CB C 81 40.160 40.160 39.920 0.240 25476 11275 1 17 . 1 1 81 81 ASN H H 81 7.560 7.560 8.331 -0.771 25476 11276 1 17 . 1 1 82 82 TRP N N 82 122.870 122.870 119.203 3.667 25476 11277 1 17 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.277 0.873 25476 11278 1 17 . 1 1 82 82 TRP C C 82 177.480 177.480 175.238 2.242 25476 11279 1 17 . 1 1 82 82 TRP CA C 82 57.260 57.260 55.480 1.780 25476 11280 1 17 . 1 1 82 82 TRP H H 82 8.480 8.480 7.055 1.425 25476 11281 1 17 . 1 1 83 83 THR N N 83 118.050 118.050 118.743 -0.693 25476 11282 1 17 . 1 1 83 83 THR HA H 83 4.820 4.820 4.712 0.108 25476 11283 1 17 . 1 1 83 83 THR C C 83 173.630 173.630 173.924 -0.294 25476 11284 1 17 . 1 1 83 83 THR CA C 83 60.470 60.470 61.444 -0.974 25476 11285 1 17 . 1 1 83 83 THR CB C 83 72.050 72.050 72.092 -0.042 25476 11286 1 17 . 1 1 83 83 THR H H 83 9.280 9.280 8.604 0.676 25476 11287 1 17 . 1 1 84 84 VAL N N 84 125.990 125.990 121.182 4.808 25476 11288 1 17 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.377 0.153 25476 11289 1 17 . 1 1 84 84 VAL C C 84 175.440 175.440 175.134 0.306 25476 11290 1 17 . 1 1 84 84 VAL CA C 84 64.280 64.280 62.911 1.369 25476 11291 1 17 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.788 -0.158 25476 11292 1 17 . 1 1 84 84 VAL H H 84 9.100 9.100 8.582 0.518 25476 11293 1 17 . 1 1 85 85 VAL N N 85 124.640 124.640 126.049 -1.409 25476 11294 1 17 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.650 0.320 25476 11295 1 17 . 1 1 85 85 VAL CA C 85 58.050 58.050 58.868 -0.819 25476 11296 1 17 . 1 1 85 85 VAL CB C 85 35.190 35.190 35.025 0.165 25476 11297 1 17 . 1 1 85 85 VAL H H 85 7.430 7.430 8.458 -1.028 25476 11298 1 17 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.458 0.022 25476 11299 1 17 . 1 1 86 86 PRO C C 86 175.970 175.970 175.443 0.527 25476 11300 1 17 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.854 0.066 25476 11301 1 17 . 1 1 86 86 PRO CB C 86 31.930 31.930 31.945 -0.014 25476 11302 1 17 . 1 1 87 87 ILE N N 87 123.980 123.980 121.531 2.449 25476 11303 1 17 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.536 0.384 25476 11304 1 17 . 1 1 87 87 ILE C C 87 175.510 175.510 176.142 -0.632 25476 11305 1 17 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.165 0.955 25476 11306 1 17 . 1 1 87 87 ILE CB C 87 37.550 37.550 38.201 -0.651 25476 11307 1 17 . 1 1 87 87 ILE H H 87 8.500 8.500 8.000 0.500 25476 11308 1 17 . 1 1 88 88 ASN N N 88 119.050 119.050 120.889 -1.839 25476 11309 1 17 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.585 -0.225 25476 11310 1 17 . 1 1 88 88 ASN CA C 88 52.210 52.210 53.283 -1.073 25476 11311 1 17 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.229 -1.489 25476 11312 1 17 . 1 1 88 88 ASN H H 88 8.390 8.390 8.095 0.295 25476 11313 1 17 . 1 1 90 90 THR HA H 90 3.800 3.800 3.949 -0.149 25476 11314 1 17 . 1 1 90 90 THR C C 90 175.860 175.860 175.954 -0.094 25476 11315 1 17 . 1 1 90 90 THR CA C 90 66.300 66.300 66.044 0.256 25476 11316 1 17 . 1 1 90 90 THR CB C 90 68.380 68.380 68.415 -0.035 25476 11317 1 17 . 1 1 91 91 GLU N N 91 120.430 120.430 119.652 0.778 25476 11318 1 17 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.073 0.037 25476 11319 1 17 . 1 1 91 91 GLU C C 91 179.320 179.320 178.713 0.607 25476 11320 1 17 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.147 0.313 25476 11321 1 17 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.866 0.174 25476 11322 1 17 . 1 1 91 91 GLU H H 91 9.440 9.440 8.641 0.799 25476 11323 1 17 . 1 1 92 92 VAL N N 92 119.810 119.810 119.536 0.274 25476 11324 1 17 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.934 -0.314 25476 11325 1 17 . 1 1 92 92 VAL C C 92 177.270 177.270 178.619 -1.349 25476 11326 1 17 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.218 0.732 25476 11327 1 17 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.739 -0.259 25476 11328 1 17 . 1 1 92 92 VAL H H 92 7.010 7.010 7.855 -0.845 25476 11329 1 17 . 1 1 93 93 VAL N N 93 120.570 120.570 121.251 -0.681 25476 11330 1 17 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.521 -0.231 25476 11331 1 17 . 1 1 93 93 VAL C C 93 177.970 177.970 177.378 0.592 25476 11332 1 17 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.423 0.927 25476 11333 1 17 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.718 -0.258 25476 11334 1 17 . 1 1 93 93 VAL H H 93 7.720 7.720 7.739 -0.019 25476 11335 1 17 . 1 1 94 94 GLU N N 94 118.100 118.100 118.582 -0.482 25476 11336 1 17 . 1 1 94 94 GLU HA H 94 4.110 4.110 3.983 0.127 25476 11337 1 17 . 1 1 94 94 GLU C C 94 179.420 179.420 179.005 0.415 25476 11338 1 17 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.604 0.046 25476 11339 1 17 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.498 -0.108 25476 11340 1 17 . 1 1 94 94 GLU H H 94 8.320 8.320 8.275 0.045 25476 11341 1 17 . 1 1 95 95 ARG N N 95 120.330 120.330 120.087 0.243 25476 11342 1 17 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.329 0.041 25476 11343 1 17 . 1 1 95 95 ARG C C 95 179.510 179.510 178.757 0.753 25476 11344 1 17 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.179 -0.639 25476 11345 1 17 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.738 -0.117 25476 11346 1 17 . 1 1 95 95 ARG H H 95 7.350 7.350 7.949 -0.599 25476 11347 1 17 . 1 1 96 96 LEU N N 96 124.600 124.600 120.262 4.338 25476 11348 1 17 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.575 -0.745 25476 11349 1 17 . 1 1 96 96 LEU C C 96 177.600 177.600 179.816 -2.216 25476 11350 1 17 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.494 1.796 25476 11351 1 17 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.859 -2.259 25476 11352 1 17 . 1 1 96 96 LEU H H 96 8.600 8.600 7.698 0.902 25476 11353 1 17 . 1 1 97 97 GLU N N 97 118.190 118.190 119.066 -0.876 25476 11354 1 17 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.159 -0.419 25476 11355 1 17 . 1 1 97 97 GLU C C 97 177.630 177.630 179.039 -1.409 25476 11356 1 17 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.046 1.394 25476 11357 1 17 . 1 1 97 97 GLU CB C 97 28.220 28.220 28.894 -0.674 25476 11358 1 17 . 1 1 97 97 GLU H H 97 8.540 8.540 8.232 0.308 25476 11359 1 17 . 1 1 98 98 TYR N N 98 119.160 119.160 120.392 -1.232 25476 11360 1 17 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.353 -0.283 25476 11361 1 17 . 1 1 98 98 TYR C C 98 179.010 179.010 177.143 1.867 25476 11362 1 17 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.171 0.949 25476 11363 1 17 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.477 0.313 25476 11364 1 17 . 1 1 98 98 TYR H H 98 8.380 8.380 7.695 0.685 25476 11365 1 17 . 1 1 99 99 THR N N 99 109.220 109.220 115.792 -6.572 25476 11366 1 17 . 1 1 99 99 THR HA H 99 4.310 4.310 3.739 0.571 25476 11367 1 17 . 1 1 99 99 THR C C 99 178.320 178.320 176.571 1.749 25476 11368 1 17 . 1 1 99 99 THR CA C 99 64.890 64.890 66.328 -1.438 25476 11369 1 17 . 1 1 99 99 THR CB C 99 69.810 69.810 69.089 0.721 25476 11370 1 17 . 1 1 99 99 THR H H 99 8.480 8.480 7.794 0.686 25476 11371 1 17 . 1 1 100 100 LEU N N 100 128.250 128.250 120.910 7.340 25476 11372 1 17 . 1 1 100 100 LEU HA H 100 3.540 3.540 3.965 -0.425 25476 11373 1 17 . 1 1 100 100 LEU C C 100 177.870 177.870 178.672 -0.802 25476 11374 1 17 . 1 1 100 100 LEU CA C 100 58.200 58.200 57.851 0.349 25476 11375 1 17 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.950 0.510 25476 11376 1 17 . 1 1 100 100 LEU H H 100 8.200 8.200 7.847 0.353 25476 11377 1 17 . 1 1 101 101 ARG N N 101 118.550 118.550 119.540 -0.990 25476 11378 1 17 . 1 1 101 101 ARG HA H 101 3.610 3.610 4.045 -0.435 25476 11379 1 17 . 1 1 101 101 ARG C C 101 178.930 178.930 178.893 0.037 25476 11380 1 17 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.061 1.399 25476 11381 1 17 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.604 -0.314 25476 11382 1 17 . 1 1 101 101 ARG H H 101 8.440 8.440 7.677 0.763 25476 11383 1 17 . 1 1 102 102 GLU N N 102 119.760 119.760 119.557 0.203 25476 11384 1 17 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.140 -0.220 25476 11385 1 17 . 1 1 102 102 GLU C C 102 178.360 178.360 178.872 -0.512 25476 11386 1 17 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.976 -0.026 25476 11387 1 17 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.332 0.688 25476 11388 1 17 . 1 1 102 102 GLU H H 102 7.970 7.970 8.190 -0.220 25476 11389 1 17 . 1 1 103 103 PHE N N 103 119.570 119.570 121.101 -1.531 25476 11390 1 17 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.238 -0.318 25476 11391 1 17 . 1 1 103 103 PHE C C 103 175.350 175.350 177.260 -1.910 25476 11392 1 17 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.517 -0.717 25476 11393 1 17 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.673 -0.133 25476 11394 1 17 . 1 1 103 103 PHE H H 103 7.630 7.630 8.288 -0.658 25476 11395 1 17 . 1 1 104 104 HIS N N 104 119.160 119.160 118.740 0.420 25476 11396 1 17 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.363 -1.333 25476 11397 1 17 . 1 1 104 104 HIS C C 104 175.460 175.460 177.586 -2.126 25476 11398 1 17 . 1 1 104 104 HIS CA C 104 60.710 60.710 60.197 0.513 25476 11399 1 17 . 1 1 104 104 HIS CB C 104 31.730 31.730 30.074 1.656 25476 11400 1 17 . 1 1 104 104 HIS H H 104 8.800 8.800 8.222 0.578 25476 11401 1 17 . 1 1 105 105 GLU N N 105 117.900 117.900 118.927 -1.027 25476 11402 1 17 . 1 1 105 105 GLU HA H 105 3.440 3.440 4.044 -0.604 25476 11403 1 17 . 1 1 105 105 GLU C C 105 177.990 177.990 178.701 -0.711 25476 11404 1 17 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.406 0.204 25476 11405 1 17 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.808 -0.508 25476 11406 1 17 . 1 1 105 105 GLU H H 105 7.890 7.890 7.895 -0.005 25476 11407 1 17 . 1 1 106 106 LYS N N 106 117.260 117.260 118.909 -1.649 25476 11408 1 17 . 1 1 106 106 LYS HA H 106 3.970 3.970 4.032 -0.062 25476 11409 1 17 . 1 1 106 106 LYS C C 106 179.570 179.570 178.734 0.836 25476 11410 1 17 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.907 -0.197 25476 11411 1 17 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.155 0.625 25476 11412 1 17 . 1 1 106 106 LYS H H 106 6.870 6.870 7.517 -0.647 25476 11413 1 17 . 1 1 107 107 LEU N N 107 123.180 123.180 121.354 1.826 25476 11414 1 17 . 1 1 107 107 LEU HA H 107 3.450 3.450 4.041 -0.591 25476 11415 1 17 . 1 1 107 107 LEU C C 107 177.170 177.170 178.483 -1.313 25476 11416 1 17 . 1 1 107 107 LEU CA C 107 57.340 57.340 56.763 0.577 25476 11417 1 17 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.740 0.499 25476 11418 1 17 . 1 1 107 107 LEU H H 107 8.020 8.020 7.799 0.221 25476 11419 1 17 . 1 1 108 108 ARG N N 108 120.070 120.070 119.166 0.904 25476 11420 1 17 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.751 -0.341 25476 11421 1 17 . 1 1 108 108 ARG C C 108 178.460 178.460 177.932 0.528 25476 11422 1 17 . 1 1 108 108 ARG CA C 108 59.640 59.640 60.285 -0.645 25476 11423 1 17 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.597 -0.387 25476 11424 1 17 . 1 1 108 108 ARG H H 108 8.680 8.680 7.456 1.224 25476 11425 1 17 . 1 1 109 109 ASP N N 109 119.480 119.480 119.310 0.170 25476 11426 1 17 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.324 -0.014 25476 11427 1 17 . 1 1 109 109 ASP C C 109 178.900 178.900 178.481 0.419 25476 11428 1 17 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.373 -0.233 25476 11429 1 17 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.556 -0.686 25476 11430 1 17 . 1 1 109 109 ASP H H 109 7.890 7.890 7.606 0.284 25476 11431 1 17 . 1 1 110 110 LEU N N 110 122.740 122.740 121.240 1.500 25476 11432 1 17 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.948 0.152 25476 11433 1 17 . 1 1 110 110 LEU C C 110 179.830 179.830 178.687 1.143 25476 11434 1 17 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.780 -0.100 25476 11435 1 17 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.989 -0.699 25476 11436 1 17 . 1 1 110 110 LEU H H 110 7.650 7.650 7.399 0.251 25476 11437 1 17 . 1 1 111 111 LEU N N 111 122.170 122.170 118.791 3.379 25476 11438 1 17 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.758 0.072 25476 11439 1 17 . 1 1 111 111 LEU C C 111 179.990 179.990 179.399 0.591 25476 11440 1 17 . 1 1 111 111 LEU CA C 111 58.610 58.610 57.890 0.720 25476 11441 1 17 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.541 -2.162 25476 11442 1 17 . 1 1 111 111 LEU H H 111 8.320 8.320 7.730 0.590 25476 11443 1 17 . 1 1 112 112 ILE N N 112 122.490 122.490 119.448 3.042 25476 11444 1 17 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.600 0.370 25476 11445 1 17 . 1 1 112 112 ILE C C 112 180.930 180.930 178.262 2.668 25476 11446 1 17 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.317 -0.657 25476 11447 1 17 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.780 -0.460 25476 11448 1 17 . 1 1 112 112 ILE H H 112 8.790 8.790 8.350 0.440 25476 11449 1 17 . 1 1 113 113 SER N N 113 119.860 119.860 113.431 6.429 25476 11450 1 17 . 1 1 113 113 SER HA H 113 4.400 4.400 4.246 0.154 25476 11451 1 17 . 1 1 113 113 SER C C 113 174.520 174.520 175.434 -0.914 25476 11452 1 17 . 1 1 113 113 SER CA C 113 61.390 61.390 60.593 0.797 25476 11453 1 17 . 1 1 113 113 SER CB C 113 62.630 62.630 63.367 -0.737 25476 11454 1 17 . 1 1 113 113 SER H H 113 7.720 7.720 7.833 -0.113 25476 11455 1 17 . 1 1 114 114 MET N N 114 121.890 121.890 118.220 3.670 25476 11456 1 17 . 1 1 114 114 MET HA H 114 4.530 4.530 4.434 0.096 25476 11457 1 17 . 1 1 114 114 MET C C 114 173.850 173.850 175.505 -1.655 25476 11458 1 17 . 1 1 114 114 MET CA C 114 55.330 55.330 55.452 -0.122 25476 11459 1 17 . 1 1 114 114 MET CB C 114 34.040 34.040 33.547 0.493 25476 11460 1 17 . 1 1 114 114 MET H H 114 7.480 7.480 7.131 0.349 25476 11461 1 17 . 1 1 115 115 GLU N N 115 114.160 114.160 116.407 -2.247 25476 11462 1 17 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.962 -0.062 25476 11463 1 17 . 1 1 115 115 GLU C C 115 174.880 174.880 175.587 -0.707 25476 11464 1 17 . 1 1 115 115 GLU CA C 115 57.270 57.270 57.148 0.122 25476 11465 1 17 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.120 -0.610 25476 11466 1 17 . 1 1 115 115 GLU H H 115 8.110 8.110 7.808 0.302 25476 11467 1 17 . 1 1 116 116 LEU N N 116 119.870 119.870 118.336 1.534 25476 11468 1 17 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.547 0.113 25476 11469 1 17 . 1 1 116 116 LEU C C 116 174.910 174.910 176.088 -1.178 25476 11470 1 17 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.626 -0.526 25476 11471 1 17 . 1 1 116 116 LEU CB C 116 45.570 45.570 44.182 1.388 25476 11472 1 17 . 1 1 116 116 LEU H H 116 7.970 7.970 7.435 0.535 25476 11473 1 17 . 1 1 117 117 ALA N N 117 123.730 123.730 122.927 0.803 25476 11474 1 17 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.588 -0.138 25476 11475 1 17 . 1 1 117 117 ALA C C 117 174.870 174.870 175.694 -0.824 25476 11476 1 17 . 1 1 117 117 ALA CA C 117 50.870 50.870 51.478 -0.608 25476 11477 1 17 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.283 0.417 25476 11478 1 17 . 1 1 117 117 ALA H H 117 7.530 7.530 8.550 -1.020 25476 11479 1 17 . 1 1 118 118 LEU N N 118 121.610 121.610 124.596 -2.986 25476 11480 1 17 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.122 0.358 25476 11481 1 17 . 1 1 118 118 LEU C C 118 175.560 175.560 175.788 -0.228 25476 11482 1 17 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.535 -0.695 25476 11483 1 17 . 1 1 118 118 LEU CB C 118 43.490 43.490 44.028 -0.538 25476 11484 1 17 . 1 1 118 118 LEU H H 118 8.250 8.250 8.576 -0.326 25476 11485 1 17 . 1 1 119 119 GLU N N 119 127.300 127.300 126.736 0.564 25476 11486 1 17 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.970 0.150 25476 11487 1 17 . 1 1 119 119 GLU C C 119 171.510 171.510 174.339 -2.829 25476 11488 1 17 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.198 -0.228 25476 11489 1 17 . 1 1 119 119 GLU CB C 119 32.870 32.870 31.716 1.154 25476 11490 1 17 . 1 1 119 119 GLU H H 119 8.730 8.730 8.650 0.080 25476 11491 1 17 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.467 0.103 25476 11492 1 17 . 1 1 120 120 PRO C C 120 176.420 176.420 176.474 -0.054 25476 11493 1 17 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.439 -0.679 25476 11494 1 17 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.651 -0.261 25476 11495 1 17 . 1 1 121 121 SER N N 121 117.040 117.040 115.290 1.750 25476 11496 1 17 . 1 1 121 121 SER HA H 121 4.060 4.060 4.417 -0.357 25476 11497 1 17 . 1 1 121 121 SER C C 121 175.150 175.150 176.078 -0.928 25476 11498 1 17 . 1 1 121 121 SER CA C 121 59.230 59.230 58.083 1.147 25476 11499 1 17 . 1 1 121 121 SER CB C 121 62.970 62.970 64.226 -1.256 25476 11500 1 17 . 1 1 121 121 SER H H 121 8.690 8.690 8.233 0.457 25476 11501 1 17 . 1 1 122 122 ASP N N 122 124.140 124.140 126.087 -1.947 25476 11502 1 17 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.529 -0.159 25476 11503 1 17 . 1 1 122 122 ASP C C 122 176.240 176.240 176.529 -0.289 25476 11504 1 17 . 1 1 122 122 ASP CA C 122 57.100 57.100 55.967 1.133 25476 11505 1 17 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.605 -0.416 25476 11506 1 17 . 1 1 122 122 ASP H H 122 8.830 8.830 8.806 0.024 25476 11507 1 17 . 1 1 123 123 ASP N N 123 115.720 115.720 118.963 -3.243 25476 11508 1 17 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.693 -0.073 25476 11509 1 17 . 1 1 123 123 ASP C C 123 174.850 174.850 174.874 -0.024 25476 11510 1 17 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.588 -0.798 25476 11511 1 17 . 1 1 123 123 ASP CB C 123 40.270 40.270 41.200 -0.930 25476 11512 1 17 . 1 1 123 123 ASP H H 123 8.210 8.210 7.783 0.427 25476 11513 1 17 . 1 1 124 124 PHE N N 124 122.440 122.440 120.122 2.318 25476 11514 1 17 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.794 0.236 25476 11515 1 17 . 1 1 124 124 PHE C C 124 174.040 174.040 174.583 -0.543 25476 11516 1 17 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.531 -1.491 25476 11517 1 17 . 1 1 124 124 PHE CB C 124 42.170 42.170 39.904 2.266 25476 11518 1 17 . 1 1 124 124 PHE H H 124 8.060 8.060 7.784 0.276 25476 11519 1 17 . 1 1 125 125 ASN N N 125 126.850 126.850 124.188 2.662 25476 11520 1 17 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.774 -0.034 25476 11521 1 17 . 1 1 125 125 ASN C C 125 175.070 175.070 174.277 0.793 25476 11522 1 17 . 1 1 125 125 ASN CA C 125 53.430 53.430 53.900 -0.470 25476 11523 1 17 . 1 1 125 125 ASN CB C 125 39.730 39.730 40.003 -0.273 25476 11524 1 17 . 1 1 125 125 ASN H H 125 7.700 7.700 8.626 -0.926 25476 11525 1 17 . 1 1 126 126 ASP N N 126 120.330 120.330 117.810 2.520 25476 11526 1 17 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.701 -0.571 25476 11527 1 17 . 1 1 126 126 ASP C C 126 176.280 176.280 173.982 2.298 25476 11528 1 17 . 1 1 126 126 ASP CA C 126 56.030 56.030 54.672 1.359 25476 11529 1 17 . 1 1 126 126 ASP CB C 126 39.100 39.100 41.656 -2.556 25476 11530 1 17 . 1 1 126 126 ASP H H 126 7.300 7.300 7.960 -0.660 25476 11531 1 17 . 1 1 127 127 GLU N N 127 127.840 127.840 121.952 5.888 25476 11532 1 17 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.481 -0.121 25476 11533 1 17 . 1 1 127 127 GLU CA C 127 55.470 55.470 55.034 0.436 25476 11534 1 17 . 1 1 127 127 GLU H H 127 8.320 8.320 8.436 -0.116 25476 11535 1 17 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.454 0.216 25476 11536 1 17 . 1 1 128 128 PRO C C 128 176.010 176.010 175.941 0.069 25476 11537 1 17 . 1 1 128 128 PRO CA C 128 63.630 63.630 63.055 0.575 25476 11538 1 17 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.658 -0.718 25476 11539 1 17 . 1 1 129 129 VAL N N 129 122.940 122.940 115.879 7.061 25476 11540 1 17 . 1 1 129 129 VAL HA H 129 3.990 3.990 4.325 -0.335 25476 11541 1 17 . 1 1 129 129 VAL C C 129 173.650 173.650 175.677 -2.027 25476 11542 1 17 . 1 1 129 129 VAL CA C 129 60.980 60.980 60.935 0.045 25476 11543 1 17 . 1 1 129 129 VAL CB C 129 32.130 32.130 33.129 -0.999 25476 11544 1 17 . 1 1 129 129 VAL H H 129 7.990 7.990 8.024 -0.034 25476 11545 1 17 . 1 1 130 130 LYS N N 130 124.620 124.620 126.319 -1.699 25476 11546 1 17 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.283 0.227 25476 11547 1 17 . 1 1 130 130 LYS C C 130 174.900 174.900 176.715 -1.815 25476 11548 1 17 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.118 -2.968 25476 11549 1 17 . 1 1 130 130 LYS CB C 130 34.510 34.510 32.141 2.369 25476 11550 1 17 . 1 1 130 130 LYS H H 130 8.240 8.240 8.571 -0.331 25476 11551 1 17 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.221 -0.421 25476 11552 1 17 . 1 1 131 131 LEU C C 131 178.400 178.400 177.967 0.433 25476 11553 1 17 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.704 -0.654 25476 11554 1 17 . 1 1 131 131 LEU CB C 131 40.800 40.800 42.548 -1.748 25476 11555 1 17 . 1 1 132 132 SER N N 132 115.550 115.550 114.100 1.450 25476 11556 1 17 . 1 1 132 132 SER HA H 132 4.610 4.610 4.476 0.134 25476 11557 1 17 . 1 1 132 132 SER C C 132 172.970 172.970 174.050 -1.080 25476 11558 1 17 . 1 1 132 132 SER CA C 132 58.620 58.620 57.540 1.080 25476 11559 1 17 . 1 1 132 132 SER CB C 132 63.310 63.310 62.367 0.944 25476 11560 1 17 . 1 1 132 132 SER H H 132 9.070 9.070 8.104 0.966 25476 11561 1 18 . 1 1 2 2 THR N N 2 118.280 118.280 112.249 6.031 25476 11562 1 18 . 1 1 2 2 THR HA H 2 4.550 4.550 4.706 -0.156 25476 11563 1 18 . 1 1 2 2 THR C C 2 174.150 174.150 174.345 -0.195 25476 11564 1 18 . 1 1 2 2 THR CA C 2 61.600 61.600 60.689 0.911 25476 11565 1 18 . 1 1 2 2 THR CB C 2 69.970 69.970 71.396 -1.426 25476 11566 1 18 . 1 1 2 2 THR H H 2 8.470 8.470 7.612 0.858 25476 11567 1 18 . 1 1 3 3 LEU N N 3 125.130 125.130 122.114 3.016 25476 11568 1 18 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.539 0.121 25476 11569 1 18 . 1 1 3 3 LEU C C 3 176.690 176.690 177.500 -0.810 25476 11570 1 18 . 1 1 3 3 LEU CA C 3 53.540 53.540 54.019 -0.479 25476 11571 1 18 . 1 1 3 3 LEU CB C 3 40.050 40.050 41.063 -1.013 25476 11572 1 18 . 1 1 3 3 LEU H H 3 8.580 8.580 8.279 0.301 25476 11573 1 18 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.324 0.036 25476 11574 1 18 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.550 0.920 25476 11575 1 18 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.684 0.206 25476 11576 1 18 . 1 1 5 5 SER HA H 5 4.580 4.580 4.393 0.187 25476 11577 1 18 . 1 1 5 5 SER C C 5 175.510 175.510 175.782 -0.272 25476 11578 1 18 . 1 1 5 5 SER CA C 5 59.410 59.410 58.454 0.956 25476 11579 1 18 . 1 1 5 5 SER CB C 5 63.110 63.110 63.394 -0.284 25476 11580 1 18 . 1 1 6 6 GLY N N 6 112.010 112.010 110.186 1.824 25476 11581 1 18 . 1 1 6 6 GLY C C 6 173.300 173.300 174.453 -1.153 25476 11582 1 18 . 1 1 6 6 GLY CA C 6 44.530 44.530 44.999 -0.469 25476 11583 1 18 . 1 1 6 6 GLY H H 6 8.620 8.620 7.754 0.866 25476 11584 1 18 . 1 1 7 7 HIS N N 7 119.440 119.440 121.522 -2.082 25476 11585 1 18 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.952 -0.272 25476 11586 1 18 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.743 2.597 25476 11587 1 18 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.367 0.663 25476 11588 1 18 . 1 1 7 7 HIS H H 7 7.170 7.170 7.815 -0.645 25476 11589 1 18 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.530 0.260 25476 11590 1 18 . 1 1 8 8 PRO C C 8 178.140 178.140 177.301 0.839 25476 11591 1 18 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.147 -0.297 25476 11592 1 18 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.988 -1.008 25476 11593 1 18 . 1 1 9 9 LYS N N 9 127.570 127.570 125.285 2.285 25476 11594 1 18 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.319 -0.149 25476 11595 1 18 . 1 1 9 9 LYS C C 9 178.050 178.050 178.798 -0.748 25476 11596 1 18 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.595 0.235 25476 11597 1 18 . 1 1 9 9 LYS H H 9 9.000 9.000 8.747 0.253 25476 11598 1 18 . 1 1 10 10 SER N N 10 113.610 113.610 116.384 -2.774 25476 11599 1 18 . 1 1 10 10 SER HA H 10 4.120 4.120 4.203 -0.083 25476 11600 1 18 . 1 1 10 10 SER C C 10 176.750 176.750 176.586 0.164 25476 11601 1 18 . 1 1 10 10 SER CA C 10 61.050 61.050 61.608 -0.558 25476 11602 1 18 . 1 1 10 10 SER H H 10 9.170 9.170 8.553 0.617 25476 11603 1 18 . 1 1 11 11 ARG N N 11 122.220 122.220 120.813 1.407 25476 11604 1 18 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.119 0.031 25476 11605 1 18 . 1 1 11 11 ARG C C 11 177.890 177.890 178.401 -0.511 25476 11606 1 18 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.875 -0.595 25476 11607 1 18 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.626 0.384 25476 11608 1 18 . 1 1 11 11 ARG H H 11 7.100 7.100 8.409 -1.309 25476 11609 1 18 . 1 1 12 12 LEU N N 12 121.360 121.360 120.394 0.966 25476 11610 1 18 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.805 -0.235 25476 11611 1 18 . 1 1 12 12 LEU C C 12 177.890 177.890 178.530 -0.640 25476 11612 1 18 . 1 1 12 12 LEU CA C 12 56.000 56.000 58.063 -2.063 25476 11613 1 18 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.835 -2.395 25476 11614 1 18 . 1 1 12 12 LEU H H 12 7.220 7.220 7.362 -0.142 25476 11615 1 18 . 1 1 13 13 ILE N N 13 118.920 118.920 119.502 -0.582 25476 11616 1 18 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.631 0.139 25476 11617 1 18 . 1 1 13 13 ILE C C 13 179.060 179.060 178.333 0.727 25476 11618 1 18 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.574 0.556 25476 11619 1 18 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.581 -0.151 25476 11620 1 18 . 1 1 13 13 ILE H H 13 8.590 8.590 8.563 0.027 25476 11621 1 18 . 1 1 14 14 LYS N N 14 121.950 121.950 119.206 2.744 25476 11622 1 18 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.107 0.023 25476 11623 1 18 . 1 1 14 14 LYS C C 14 179.810 179.810 179.404 0.406 25476 11624 1 18 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.470 1.590 25476 11625 1 18 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.001 0.079 25476 11626 1 18 . 1 1 14 14 LYS H H 14 7.730 7.730 7.689 0.041 25476 11627 1 18 . 1 1 15 15 LYS N N 15 119.750 119.750 119.654 0.096 25476 11628 1 18 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.961 0.159 25476 11629 1 18 . 1 1 15 15 LYS C C 15 179.700 179.700 179.594 0.106 25476 11630 1 18 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.305 -0.575 25476 11631 1 18 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.267 -0.317 25476 11632 1 18 . 1 1 15 15 LYS H H 15 7.800 7.800 7.448 0.352 25476 11633 1 18 . 1 1 16 16 PHE N N 16 117.660 117.660 118.515 -0.855 25476 11634 1 18 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.283 0.477 25476 11635 1 18 . 1 1 16 16 PHE C C 16 180.960 180.960 178.127 2.833 25476 11636 1 18 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.353 -3.713 25476 11637 1 18 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.264 0.536 25476 11638 1 18 . 1 1 16 16 PHE H H 16 9.130 9.130 8.615 0.515 25476 11639 1 18 . 1 1 17 17 THR N N 17 120.130 120.130 116.094 4.036 25476 11640 1 18 . 1 1 17 17 THR HA H 17 4.370 4.370 4.356 0.014 25476 11641 1 18 . 1 1 17 17 THR C C 17 175.550 175.550 176.224 -0.674 25476 11642 1 18 . 1 1 17 17 THR CA C 17 66.840 66.840 65.191 1.649 25476 11643 1 18 . 1 1 17 17 THR CB C 17 68.920 68.920 68.082 0.838 25476 11644 1 18 . 1 1 17 17 THR H H 17 8.940 8.940 7.740 1.200 25476 11645 1 18 . 1 1 18 18 ALA N N 18 122.170 122.170 123.281 -1.111 25476 11646 1 18 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.286 0.094 25476 11647 1 18 . 1 1 18 18 ALA C C 18 178.110 178.110 177.747 0.363 25476 11648 1 18 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.495 -0.105 25476 11649 1 18 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.362 -0.062 25476 11650 1 18 . 1 1 18 18 ALA H H 18 7.310 7.310 7.730 -0.420 25476 11651 1 18 . 1 1 19 19 LEU N N 19 116.080 116.080 116.269 -0.189 25476 11652 1 18 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.414 -0.044 25476 11653 1 18 . 1 1 19 19 LEU C C 19 176.620 176.620 176.136 0.484 25476 11654 1 18 . 1 1 19 19 LEU CA C 19 56.630 56.630 53.945 2.685 25476 11655 1 18 . 1 1 19 19 LEU CB C 19 42.420 42.420 41.902 0.518 25476 11656 1 18 . 1 1 19 19 LEU H H 19 7.580 7.580 7.514 0.066 25476 11657 1 18 . 1 1 20 20 GLY N N 20 103.280 103.280 106.559 -3.279 25476 11658 1 18 . 1 1 20 20 GLY CA C 20 44.060 44.060 45.016 -0.956 25476 11659 1 18 . 1 1 20 20 GLY H H 20 7.650 7.650 7.450 0.200 25476 11660 1 18 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.432 0.438 25476 11661 1 18 . 1 1 21 21 PRO C C 21 174.850 174.850 176.605 -1.755 25476 11662 1 18 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.469 0.671 25476 11663 1 18 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.191 -3.291 25476 11664 1 18 . 1 1 22 22 TYR N N 22 120.690 120.690 116.458 4.232 25476 11665 1 18 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.463 0.717 25476 11666 1 18 . 1 1 22 22 TYR C C 22 176.340 176.340 175.515 0.825 25476 11667 1 18 . 1 1 22 22 TYR CA C 22 57.780 57.780 57.376 0.404 25476 11668 1 18 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.271 3.229 25476 11669 1 18 . 1 1 22 22 TYR H H 22 7.680 7.680 7.819 -0.139 25476 11670 1 18 . 1 1 23 23 ILE N N 23 119.130 119.130 121.363 -2.233 25476 11671 1 18 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.250 -0.130 25476 11672 1 18 . 1 1 23 23 ILE C C 23 174.210 174.210 176.474 -2.264 25476 11673 1 18 . 1 1 23 23 ILE CA C 23 61.830 61.830 60.134 1.696 25476 11674 1 18 . 1 1 23 23 ILE CB C 23 38.500 38.500 39.128 -0.628 25476 11675 1 18 . 1 1 23 23 ILE H H 23 8.860 8.860 8.542 0.318 25476 11676 1 18 . 1 1 24 24 ARG N N 24 126.540 126.540 126.802 -0.262 25476 11677 1 18 . 1 1 24 24 ARG C C 24 177.290 177.290 175.652 1.638 25476 11678 1 18 . 1 1 24 24 ARG CA C 24 52.090 52.090 56.412 -4.322 25476 11679 1 18 . 1 1 24 24 ARG H H 24 8.100 8.100 8.828 -0.728 25476 11680 1 18 . 1 1 25 25 GLU N N 25 126.990 126.990 127.201 -0.211 25476 11681 1 18 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.614 -0.514 25476 11682 1 18 . 1 1 25 25 GLU C C 25 176.780 176.780 176.763 0.017 25476 11683 1 18 . 1 1 25 25 GLU CA C 25 60.860 60.860 55.420 5.440 25476 11684 1 18 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.377 -0.727 25476 11685 1 18 . 1 1 25 25 GLU H H 25 9.400 9.400 7.990 1.410 25476 11686 1 18 . 1 1 26 26 GLY N N 26 109.830 109.830 114.383 -4.553 25476 11687 1 18 . 1 1 26 26 GLY C C 26 174.380 174.380 174.284 0.096 25476 11688 1 18 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.983 0.537 25476 11689 1 18 . 1 1 26 26 GLY H H 26 8.070 8.070 8.431 -0.361 25476 11690 1 18 . 1 1 27 27 GLN N N 27 117.670 117.670 118.855 -1.185 25476 11691 1 18 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.218 0.092 25476 11692 1 18 . 1 1 27 27 GLN C C 27 175.350 175.350 176.824 -1.474 25476 11693 1 18 . 1 1 27 27 GLN CA C 27 55.320 55.320 57.846 -2.526 25476 11694 1 18 . 1 1 27 27 GLN CB C 27 29.340 29.340 29.164 0.176 25476 11695 1 18 . 1 1 27 27 GLN H H 27 7.690 7.690 8.648 -0.958 25476 11696 1 18 . 1 1 28 28 CYS N N 28 119.770 119.770 113.623 6.147 25476 11697 1 18 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.825 -0.285 25476 11698 1 18 . 1 1 28 28 CYS C C 28 173.480 173.480 175.314 -1.834 25476 11699 1 18 . 1 1 28 28 CYS CA C 28 58.810 58.810 58.094 0.716 25476 11700 1 18 . 1 1 28 28 CYS CB C 28 27.070 27.070 28.750 -1.681 25476 11701 1 18 . 1 1 28 28 CYS H H 28 7.510 7.510 7.781 -0.271 25476 11702 1 18 . 1 1 29 29 GLU N N 29 124.370 124.370 124.255 0.115 25476 11703 1 18 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.277 0.263 25476 11704 1 18 . 1 1 29 29 GLU C C 29 174.810 174.810 174.909 -0.099 25476 11705 1 18 . 1 1 29 29 GLU CA C 29 55.560 55.560 56.802 -1.242 25476 11706 1 18 . 1 1 29 29 GLU CB C 29 30.030 30.030 29.890 0.140 25476 11707 1 18 . 1 1 29 29 GLU H H 29 7.840 7.840 8.161 -0.321 25476 11708 1 18 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.821 -0.241 25476 11709 1 18 . 1 1 31 31 ASN CA C 31 53.450 53.450 53.491 -0.041 25476 11710 1 18 . 1 1 31 31 ASN CB C 31 39.200 39.200 39.422 -0.222 25476 11711 1 18 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.389 1.121 25476 11712 1 18 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.948 0.102 25476 11713 1 18 . 1 1 32 32 ARG CB C 32 33.480 33.480 32.021 1.459 25476 11714 1 18 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.591 0.649 25476 11715 1 18 . 1 1 34 34 PHE C C 34 172.210 172.210 173.931 -1.721 25476 11716 1 18 . 1 1 34 34 PHE CA C 34 57.690 57.690 57.681 0.009 25476 11717 1 18 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.552 2.548 25476 11718 1 18 . 1 1 35 35 PHE N N 35 125.800 125.800 122.428 3.372 25476 11719 1 18 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.386 0.784 25476 11720 1 18 . 1 1 35 35 PHE C C 35 173.110 173.110 173.126 -0.016 25476 11721 1 18 . 1 1 35 35 PHE CA C 35 54.860 54.860 56.379 -1.519 25476 11722 1 18 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.166 1.084 25476 11723 1 18 . 1 1 35 35 PHE H H 35 8.660 8.660 7.352 1.308 25476 11724 1 18 . 1 1 36 36 ASP N N 36 120.960 120.960 122.439 -1.479 25476 11725 1 18 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.148 0.432 25476 11726 1 18 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.257 1.903 25476 11727 1 18 . 1 1 36 36 ASP CB C 36 41.030 41.030 40.832 0.198 25476 11728 1 18 . 1 1 36 36 ASP H H 36 9.370 9.370 8.147 1.223 25476 11729 1 18 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.412 -0.422 25476 11730 1 18 . 1 1 37 37 CYS C C 37 173.460 173.460 173.268 0.192 25476 11731 1 18 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.354 0.256 25476 11732 1 18 . 1 1 37 37 CYS CB C 37 27.170 27.170 29.612 -2.442 25476 11733 1 18 . 1 1 38 38 LEU N N 38 131.890 131.890 126.836 5.054 25476 11734 1 18 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.699 -0.489 25476 11735 1 18 . 1 1 38 38 LEU C C 38 175.570 175.570 176.198 -0.628 25476 11736 1 18 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.622 -1.092 25476 11737 1 18 . 1 1 38 38 LEU CB C 38 37.270 37.270 43.350 -6.080 25476 11738 1 18 . 1 1 38 38 LEU H H 38 8.430 8.430 8.376 0.054 25476 11739 1 18 . 1 1 39 39 ALA N N 39 127.100 127.100 128.710 -1.610 25476 11740 1 18 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.705 -0.365 25476 11741 1 18 . 1 1 39 39 ALA C C 39 178.500 178.500 176.343 2.157 25476 11742 1 18 . 1 1 39 39 ALA CA C 39 55.380 55.380 52.740 2.640 25476 11743 1 18 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.996 0.114 25476 11744 1 18 . 1 1 39 39 ALA H H 39 7.960 7.960 9.008 -1.048 25476 11745 1 18 . 1 1 40 40 VAL N N 40 116.260 116.260 116.852 -0.592 25476 11746 1 18 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.284 0.336 25476 11747 1 18 . 1 1 40 40 VAL C C 40 173.990 173.990 173.828 0.162 25476 11748 1 18 . 1 1 40 40 VAL CA C 40 60.940 60.940 61.142 -0.202 25476 11749 1 18 . 1 1 40 40 VAL CB C 40 36.480 36.480 36.070 0.410 25476 11750 1 18 . 1 1 40 40 VAL H H 40 8.590 8.590 7.875 0.715 25476 11751 1 18 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.406 -0.526 25476 11752 1 18 . 1 1 41 41 CYS C C 41 174.640 174.640 174.892 -0.252 25476 11753 1 18 . 1 1 41 41 CYS CA C 41 59.280 59.280 58.286 0.994 25476 11754 1 18 . 1 1 41 41 CYS CB C 41 26.700 26.700 26.161 0.539 25476 11755 1 18 . 1 1 42 42 VAL N N 42 131.320 131.320 126.319 5.001 25476 11756 1 18 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.953 -0.473 25476 11757 1 18 . 1 1 42 42 VAL C C 42 176.270 176.270 175.256 1.014 25476 11758 1 18 . 1 1 42 42 VAL CA C 42 65.390 65.390 62.684 2.706 25476 11759 1 18 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.795 0.045 25476 11760 1 18 . 1 1 42 42 VAL H H 42 8.610 8.610 7.863 0.747 25476 11761 1 18 . 1 1 43 43 ASN N N 43 116.070 116.070 118.847 -2.777 25476 11762 1 18 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.792 -0.002 25476 11763 1 18 . 1 1 43 43 ASN C C 43 175.160 175.160 174.101 1.059 25476 11764 1 18 . 1 1 43 43 ASN CA C 43 52.690 52.690 52.803 -0.113 25476 11765 1 18 . 1 1 43 43 ASN CB C 43 39.940 39.940 38.680 1.260 25476 11766 1 18 . 1 1 43 43 ASN H H 43 7.280 7.280 7.388 -0.108 25476 11767 1 18 . 1 1 44 44 VAL N N 44 121.350 121.350 122.900 -1.550 25476 11768 1 18 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.114 0.006 25476 11769 1 18 . 1 1 44 44 VAL C C 44 175.460 175.460 176.273 -0.813 25476 11770 1 18 . 1 1 44 44 VAL CA C 44 61.930 61.930 63.110 -1.180 25476 11771 1 18 . 1 1 44 44 VAL CB C 44 31.630 31.630 33.023 -1.393 25476 11772 1 18 . 1 1 44 44 VAL H H 44 8.520 8.520 8.388 0.132 25476 11773 1 18 . 1 1 45 45 LYS N N 45 123.190 123.190 120.166 3.024 25476 11774 1 18 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.131 0.079 25476 11775 1 18 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.617 0.463 25476 11776 1 18 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.878 -0.378 25476 11777 1 18 . 1 1 45 45 LYS H H 45 8.100 8.100 8.427 -0.327 25476 11778 1 18 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.422 -0.052 25476 11779 1 18 . 1 1 46 46 PRO C C 46 174.380 174.380 175.645 -1.265 25476 11780 1 18 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.338 0.722 25476 11781 1 18 . 1 1 46 46 PRO CB C 46 31.660 31.660 32.151 -0.491 25476 11782 1 18 . 1 1 47 47 ALA N N 47 124.500 124.500 120.434 4.066 25476 11783 1 18 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.385 0.085 25476 11784 1 18 . 1 1 47 47 ALA C C 47 176.130 176.130 177.953 -1.823 25476 11785 1 18 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.048 -0.308 25476 11786 1 18 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.354 -1.054 25476 11787 1 18 . 1 1 47 47 ALA H H 47 8.300 8.300 8.307 -0.007 25476 11788 1 18 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.271 -0.461 25476 11789 1 18 . 1 1 48 48 PRO C C 48 178.270 178.270 178.139 0.131 25476 11790 1 18 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.829 1.321 25476 11791 1 18 . 1 1 48 48 PRO CB C 48 31.990 31.990 31.881 0.108 25476 11792 1 18 . 1 1 49 49 GLU N N 49 116.300 116.300 119.830 -3.530 25476 11793 1 18 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.162 0.128 25476 11794 1 18 . 1 1 49 49 GLU C C 49 176.550 176.550 177.193 -0.643 25476 11795 1 18 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.500 -0.380 25476 11796 1 18 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.779 -0.489 25476 11797 1 18 . 1 1 49 49 GLU H H 49 9.390 9.390 9.055 0.335 25476 11798 1 18 . 1 1 50 50 LYS N N 50 120.030 120.030 116.161 3.869 25476 11799 1 18 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.514 -0.054 25476 11800 1 18 . 1 1 50 50 LYS C C 50 175.070 175.070 176.264 -1.194 25476 11801 1 18 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.136 -0.466 25476 11802 1 18 . 1 1 50 50 LYS CB C 50 33.170 33.170 33.166 0.004 25476 11803 1 18 . 1 1 50 50 LYS H H 50 8.350 8.350 7.377 0.973 25476 11804 1 18 . 1 1 51 51 ARG N N 51 119.720 119.720 121.033 -1.313 25476 11805 1 18 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.318 -0.018 25476 11806 1 18 . 1 1 51 51 ARG C C 51 174.530 174.530 175.893 -1.363 25476 11807 1 18 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.840 -0.150 25476 11808 1 18 . 1 1 51 51 ARG CB C 51 32.000 32.000 31.156 0.844 25476 11809 1 18 . 1 1 51 51 ARG H H 51 7.220 7.220 7.547 -0.327 25476 11810 1 18 . 1 1 52 52 GLU N N 52 119.700 119.700 120.899 -1.199 25476 11811 1 18 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.616 0.074 25476 11812 1 18 . 1 1 52 52 GLU C C 52 175.260 175.260 174.953 0.307 25476 11813 1 18 . 1 1 52 52 GLU CA C 52 54.730 54.730 55.390 -0.660 25476 11814 1 18 . 1 1 52 52 GLU H H 52 8.690 8.690 8.043 0.647 25476 11815 1 18 . 1 1 53 53 PHE N N 53 116.950 116.950 120.867 -3.917 25476 11816 1 18 . 1 1 53 53 PHE HA H 53 5.160 5.160 5.238 -0.078 25476 11817 1 18 . 1 1 53 53 PHE C C 53 174.970 174.970 174.652 0.318 25476 11818 1 18 . 1 1 53 53 PHE CA C 53 56.960 56.960 56.111 0.849 25476 11819 1 18 . 1 1 53 53 PHE CB C 53 44.210 44.210 43.823 0.387 25476 11820 1 18 . 1 1 53 53 PHE H H 53 8.590 8.590 8.534 0.056 25476 11821 1 18 . 1 1 54 54 TRP N N 54 123.100 123.100 121.336 1.764 25476 11822 1 18 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.750 1.150 25476 11823 1 18 . 1 1 54 54 TRP C C 54 177.820 177.820 175.390 2.430 25476 11824 1 18 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.267 -1.027 25476 11825 1 18 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.722 1.148 25476 11826 1 18 . 1 1 54 54 TRP H H 54 9.520 9.520 8.839 0.681 25476 11827 1 18 . 1 1 55 55 GLY N N 55 110.840 110.840 110.516 0.324 25476 11828 1 18 . 1 1 55 55 GLY CA C 55 47.240 47.240 44.509 2.731 25476 11829 1 18 . 1 1 55 55 GLY H H 55 9.550 9.550 8.389 1.161 25476 11830 1 18 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.410 0.800 25476 11831 1 18 . 1 1 57 57 TRP CA C 57 57.700 57.700 56.034 1.666 25476 11832 1 18 . 1 1 58 58 MET N N 58 122.630 122.630 120.661 1.969 25476 11833 1 18 . 1 1 58 58 MET HA H 58 4.370 4.370 4.911 -0.541 25476 11834 1 18 . 1 1 58 58 MET CA C 58 55.230 55.230 55.022 0.208 25476 11835 1 18 . 1 1 58 58 MET CB C 58 35.910 35.910 35.088 0.822 25476 11836 1 18 . 1 1 58 58 MET H H 58 9.680 9.680 8.582 1.098 25476 11837 1 18 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.724 0.706 25476 11838 1 18 . 1 1 59 59 GLU C C 59 175.570 175.570 175.323 0.247 25476 11839 1 18 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.831 -0.571 25476 11840 1 18 . 1 1 60 60 LEU N N 60 126.920 126.920 121.814 5.106 25476 11841 1 18 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.997 1.063 25476 11842 1 18 . 1 1 60 60 LEU C C 60 176.470 176.470 175.509 0.961 25476 11843 1 18 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.629 -1.019 25476 11844 1 18 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.493 1.987 25476 11845 1 18 . 1 1 60 60 LEU H H 60 9.610 9.610 8.296 1.314 25476 11846 1 18 . 1 1 61 61 GLU N N 61 123.560 123.560 120.107 3.453 25476 11847 1 18 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.566 0.614 25476 11848 1 18 . 1 1 61 61 GLU C C 61 174.930 174.930 175.651 -0.721 25476 11849 1 18 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.905 0.145 25476 11850 1 18 . 1 1 61 61 GLU CB C 61 32.200 32.200 32.180 0.020 25476 11851 1 18 . 1 1 61 61 GLU H H 61 9.070 9.070 8.706 0.364 25476 11852 1 18 . 1 1 62 62 ALA N N 62 129.830 129.830 129.796 0.034 25476 11853 1 18 . 1 1 62 62 ALA HA H 62 3.120 3.120 2.993 0.127 25476 11854 1 18 . 1 1 62 62 ALA C C 62 175.760 175.760 177.365 -1.605 25476 11855 1 18 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.445 0.235 25476 11856 1 18 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.841 2.489 25476 11857 1 18 . 1 1 62 62 ALA H H 62 9.030 9.030 8.584 0.446 25476 11858 1 18 . 1 1 63 63 GLN N N 63 122.550 122.550 123.202 -0.652 25476 11859 1 18 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.243 0.507 25476 11860 1 18 . 1 1 63 63 GLN C C 63 175.470 175.470 177.370 -1.900 25476 11861 1 18 . 1 1 63 63 GLN CA C 63 53.940 53.940 55.349 -1.409 25476 11862 1 18 . 1 1 63 63 GLN CB C 63 29.650 29.650 29.379 0.271 25476 11863 1 18 . 1 1 63 63 GLN H H 63 8.170 8.170 7.589 0.581 25476 11864 1 18 . 1 1 64 64 GLU N N 64 120.760 120.760 120.861 -0.101 25476 11865 1 18 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.070 -0.520 25476 11866 1 18 . 1 1 64 64 GLU C C 64 176.740 176.740 177.002 -0.262 25476 11867 1 18 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.039 2.301 25476 11868 1 18 . 1 1 64 64 GLU CB C 64 29.620 29.620 30.034 -0.414 25476 11869 1 18 . 1 1 64 64 GLU H H 64 8.730 8.730 8.503 0.227 25476 11870 1 18 . 1 1 65 65 LYS N N 65 112.820 112.820 117.196 -4.376 25476 11871 1 18 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.444 0.186 25476 11872 1 18 . 1 1 65 65 LYS C C 65 175.960 175.960 174.584 1.376 25476 11873 1 18 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.723 -0.933 25476 11874 1 18 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.047 1.254 25476 11875 1 18 . 1 1 65 65 LYS H H 65 8.750 8.750 8.242 0.508 25476 11876 1 18 . 1 1 66 66 ARG N N 66 115.100 115.100 115.994 -0.894 25476 11877 1 18 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.590 0.710 25476 11878 1 18 . 1 1 66 66 ARG C C 66 172.980 172.980 173.249 -0.269 25476 11879 1 18 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.795 -2.265 25476 11880 1 18 . 1 1 66 66 ARG CB C 66 33.000 33.000 32.138 0.862 25476 11881 1 18 . 1 1 66 66 ARG H H 66 7.520 7.520 7.145 0.375 25476 11882 1 18 . 1 1 67 67 PHE N N 67 119.960 119.960 117.256 2.704 25476 11883 1 18 . 1 1 67 67 PHE HA H 67 5.740 5.740 5.009 0.731 25476 11884 1 18 . 1 1 67 67 PHE C C 67 176.040 176.040 174.343 1.697 25476 11885 1 18 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.589 -1.469 25476 11886 1 18 . 1 1 67 67 PHE CB C 67 41.950 41.950 44.325 -2.375 25476 11887 1 18 . 1 1 67 67 PHE H H 67 9.220 9.220 8.918 0.302 25476 11888 1 18 . 1 1 68 68 THR N N 68 111.030 111.030 115.899 -4.869 25476 11889 1 18 . 1 1 68 68 THR HA H 68 6.310 6.310 5.393 0.917 25476 11890 1 18 . 1 1 68 68 THR C C 68 175.340 175.340 172.722 2.618 25476 11891 1 18 . 1 1 68 68 THR CA C 68 57.990 57.990 59.483 -1.493 25476 11892 1 18 . 1 1 68 68 THR CB C 68 70.260 70.260 70.697 -0.437 25476 11893 1 18 . 1 1 68 68 THR H H 68 9.200 9.200 8.550 0.650 25476 11894 1 18 . 1 1 69 69 TYR N N 69 115.700 115.700 121.198 -5.498 25476 11895 1 18 . 1 1 69 69 TYR HA H 69 6.090 6.090 5.010 1.080 25476 11896 1 18 . 1 1 69 69 TYR C C 69 173.310 173.310 172.824 0.486 25476 11897 1 18 . 1 1 69 69 TYR CA C 69 55.500 55.500 56.473 -0.973 25476 11898 1 18 . 1 1 69 69 TYR CB C 69 44.600 44.600 40.366 4.234 25476 11899 1 18 . 1 1 69 69 TYR H H 69 8.190 8.190 9.118 -0.928 25476 11900 1 18 . 1 1 70 70 ARG N N 70 115.070 115.070 122.895 -7.825 25476 11901 1 18 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.290 1.220 25476 11902 1 18 . 1 1 70 70 ARG C C 70 175.220 175.220 174.679 0.541 25476 11903 1 18 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.035 1.115 25476 11904 1 18 . 1 1 70 70 ARG CB C 70 32.780 32.780 33.514 -0.734 25476 11905 1 18 . 1 1 70 70 ARG H H 70 8.160 8.160 8.444 -0.284 25476 11906 1 18 . 1 1 71 71 TYR N N 71 118.750 118.750 120.261 -1.511 25476 11907 1 18 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.705 -0.585 25476 11908 1 18 . 1 1 71 71 TYR H H 71 9.220 9.220 7.809 1.411 25476 11909 1 18 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.777 -0.357 25476 11910 1 18 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.824 0.026 25476 11911 1 18 . 1 1 72 72 GLN CB C 72 30.990 30.990 32.886 -1.896 25476 11912 1 18 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.871 0.959 25476 11913 1 18 . 1 1 73 73 PHE C C 73 177.280 177.280 175.557 1.723 25476 11914 1 18 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.409 -3.729 25476 11915 1 18 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.398 -0.598 25476 11916 1 18 . 1 1 74 74 GLY N N 74 108.520 108.520 110.287 -1.767 25476 11917 1 18 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.133 2.347 25476 11918 1 18 . 1 1 74 74 GLY H H 74 9.350 9.350 7.736 1.614 25476 11919 1 18 . 1 1 75 75 LEU HA H 75 5.370 5.370 4.887 0.483 25476 11920 1 18 . 1 1 75 75 LEU C C 75 174.270 174.270 174.584 -0.314 25476 11921 1 18 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.820 -1.030 25476 11922 1 18 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.054 0.806 25476 11923 1 18 . 1 1 76 76 PHE N N 76 135.230 135.230 125.691 9.539 25476 11924 1 18 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.150 -0.810 25476 11925 1 18 . 1 1 76 76 PHE C C 76 174.690 174.690 173.689 1.001 25476 11926 1 18 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.001 0.899 25476 11927 1 18 . 1 1 76 76 PHE H H 76 9.840 9.840 8.961 0.879 25476 11928 1 18 . 1 1 77 77 ASP N N 77 125.580 125.580 127.543 -1.963 25476 11929 1 18 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.561 -0.231 25476 11930 1 18 . 1 1 77 77 ASP C C 77 178.310 178.310 176.382 1.928 25476 11931 1 18 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.423 0.327 25476 11932 1 18 . 1 1 77 77 ASP CB C 77 42.460 42.460 44.204 -1.744 25476 11933 1 18 . 1 1 77 77 ASP H H 77 7.940 7.940 8.559 -0.619 25476 11934 1 18 . 1 1 78 78 LYS N N 78 116.610 116.610 117.762 -1.152 25476 11935 1 18 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.855 0.235 25476 11936 1 18 . 1 1 78 78 LYS C C 78 176.910 176.910 176.654 0.256 25476 11937 1 18 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.277 -0.697 25476 11938 1 18 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.431 -1.401 25476 11939 1 18 . 1 1 78 78 LYS H H 78 9.030 9.030 8.234 0.796 25476 11940 1 18 . 1 1 79 79 GLU N N 79 120.510 120.510 117.420 3.090 25476 11941 1 18 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.271 -0.011 25476 11942 1 18 . 1 1 79 79 GLU C C 79 176.160 176.160 176.974 -0.814 25476 11943 1 18 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.191 -0.861 25476 11944 1 18 . 1 1 79 79 GLU CB C 79 29.420 29.420 30.220 -0.800 25476 11945 1 18 . 1 1 79 79 GLU H H 79 7.850 7.850 7.610 0.240 25476 11946 1 18 . 1 1 80 80 GLY N N 80 109.610 109.610 107.261 2.349 25476 11947 1 18 . 1 1 80 80 GLY C C 80 172.820 172.820 173.487 -0.667 25476 11948 1 18 . 1 1 80 80 GLY CA C 80 45.380 45.380 44.675 0.705 25476 11949 1 18 . 1 1 80 80 GLY H H 80 7.800 7.800 7.861 -0.061 25476 11950 1 18 . 1 1 81 81 ASN N N 81 117.680 117.680 119.453 -1.773 25476 11951 1 18 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.177 0.533 25476 11952 1 18 . 1 1 81 81 ASN C C 81 174.110 174.110 175.625 -1.515 25476 11953 1 18 . 1 1 81 81 ASN CA C 81 51.160 51.160 53.441 -2.281 25476 11954 1 18 . 1 1 81 81 ASN CB C 81 40.160 40.160 38.526 1.634 25476 11955 1 18 . 1 1 81 81 ASN H H 81 7.560 7.560 7.751 -0.191 25476 11956 1 18 . 1 1 82 82 TRP N N 82 122.870 122.870 125.645 -2.775 25476 11957 1 18 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.601 0.549 25476 11958 1 18 . 1 1 82 82 TRP C C 82 177.480 177.480 176.451 1.029 25476 11959 1 18 . 1 1 82 82 TRP CA C 82 57.260 57.260 56.784 0.476 25476 11960 1 18 . 1 1 82 82 TRP H H 82 8.480 8.480 7.923 0.557 25476 11961 1 18 . 1 1 83 83 THR N N 83 118.050 118.050 119.801 -1.751 25476 11962 1 18 . 1 1 83 83 THR HA H 83 4.820 4.820 4.682 0.138 25476 11963 1 18 . 1 1 83 83 THR C C 83 173.630 173.630 173.926 -0.296 25476 11964 1 18 . 1 1 83 83 THR CA C 83 60.470 60.470 61.569 -1.099 25476 11965 1 18 . 1 1 83 83 THR CB C 83 72.050 72.050 71.417 0.633 25476 11966 1 18 . 1 1 83 83 THR H H 83 9.280 9.280 8.871 0.409 25476 11967 1 18 . 1 1 84 84 VAL N N 84 125.990 125.990 123.307 2.683 25476 11968 1 18 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.400 0.130 25476 11969 1 18 . 1 1 84 84 VAL C C 84 175.440 175.440 175.142 0.298 25476 11970 1 18 . 1 1 84 84 VAL CA C 84 64.280 64.280 63.262 1.018 25476 11971 1 18 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.346 0.284 25476 11972 1 18 . 1 1 84 84 VAL H H 84 9.100 9.100 8.557 0.543 25476 11973 1 18 . 1 1 85 85 VAL N N 85 124.640 124.640 124.035 0.605 25476 11974 1 18 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.839 0.131 25476 11975 1 18 . 1 1 85 85 VAL CA C 85 58.050 58.050 59.038 -0.988 25476 11976 1 18 . 1 1 85 85 VAL CB C 85 35.190 35.190 33.175 2.015 25476 11977 1 18 . 1 1 85 85 VAL H H 85 7.430 7.430 8.259 -0.829 25476 11978 1 18 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.576 -0.096 25476 11979 1 18 . 1 1 86 86 PRO C C 86 175.970 175.970 176.223 -0.253 25476 11980 1 18 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.736 0.184 25476 11981 1 18 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.197 -0.267 25476 11982 1 18 . 1 1 87 87 ILE N N 87 123.980 123.980 123.498 0.482 25476 11983 1 18 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.898 0.022 25476 11984 1 18 . 1 1 87 87 ILE C C 87 175.510 175.510 175.292 0.218 25476 11985 1 18 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.819 0.301 25476 11986 1 18 . 1 1 87 87 ILE CB C 87 37.550 37.550 36.814 0.736 25476 11987 1 18 . 1 1 87 87 ILE H H 87 8.500 8.500 8.057 0.443 25476 11988 1 18 . 1 1 88 88 ASN N N 88 119.050 119.050 125.647 -6.597 25476 11989 1 18 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.795 -0.435 25476 11990 1 18 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.515 -0.305 25476 11991 1 18 . 1 1 88 88 ASN CB C 88 37.740 37.740 40.164 -2.424 25476 11992 1 18 . 1 1 88 88 ASN H H 88 8.390 8.390 8.510 -0.120 25476 11993 1 18 . 1 1 90 90 THR HA H 90 3.800 3.800 3.925 -0.125 25476 11994 1 18 . 1 1 90 90 THR C C 90 175.860 175.860 175.602 0.258 25476 11995 1 18 . 1 1 90 90 THR CA C 90 66.300 66.300 65.888 0.412 25476 11996 1 18 . 1 1 90 90 THR CB C 90 68.380 68.380 68.825 -0.445 25476 11997 1 18 . 1 1 91 91 GLU N N 91 120.430 120.430 119.875 0.555 25476 11998 1 18 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.053 0.057 25476 11999 1 18 . 1 1 91 91 GLU C C 91 179.320 179.320 178.728 0.592 25476 12000 1 18 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.133 0.327 25476 12001 1 18 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.850 0.190 25476 12002 1 18 . 1 1 91 91 GLU H H 91 9.440 9.440 8.781 0.659 25476 12003 1 18 . 1 1 92 92 VAL N N 92 119.810 119.810 118.869 0.941 25476 12004 1 18 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.847 -0.227 25476 12005 1 18 . 1 1 92 92 VAL C C 92 177.270 177.270 177.728 -0.458 25476 12006 1 18 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.208 0.742 25476 12007 1 18 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.697 -0.217 25476 12008 1 18 . 1 1 92 92 VAL H H 92 7.010 7.010 7.652 -0.642 25476 12009 1 18 . 1 1 93 93 VAL N N 93 120.570 120.570 120.709 -0.139 25476 12010 1 18 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.660 -0.370 25476 12011 1 18 . 1 1 93 93 VAL C C 93 177.970 177.970 177.438 0.532 25476 12012 1 18 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.292 1.058 25476 12013 1 18 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.972 -0.512 25476 12014 1 18 . 1 1 93 93 VAL H H 93 7.720 7.720 7.220 0.500 25476 12015 1 18 . 1 1 94 94 GLU N N 94 118.100 118.100 119.433 -1.333 25476 12016 1 18 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.295 -0.185 25476 12017 1 18 . 1 1 94 94 GLU C C 94 179.420 179.420 178.444 0.976 25476 12018 1 18 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.008 0.642 25476 12019 1 18 . 1 1 94 94 GLU CB C 94 29.390 29.390 28.900 0.490 25476 12020 1 18 . 1 1 94 94 GLU H H 94 8.320 8.320 8.658 -0.338 25476 12021 1 18 . 1 1 95 95 ARG N N 95 120.330 120.330 120.410 -0.080 25476 12022 1 18 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.240 0.130 25476 12023 1 18 . 1 1 95 95 ARG C C 95 179.510 179.510 178.485 1.025 25476 12024 1 18 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.282 -0.742 25476 12025 1 18 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.737 -0.117 25476 12026 1 18 . 1 1 95 95 ARG H H 95 7.350 7.350 7.518 -0.168 25476 12027 1 18 . 1 1 96 96 LEU N N 96 124.600 124.600 119.484 5.116 25476 12028 1 18 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.319 -0.489 25476 12029 1 18 . 1 1 96 96 LEU C C 96 177.600 177.600 179.301 -1.701 25476 12030 1 18 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.409 1.881 25476 12031 1 18 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.385 -1.785 25476 12032 1 18 . 1 1 96 96 LEU H H 96 8.600 8.600 7.635 0.965 25476 12033 1 18 . 1 1 97 97 GLU N N 97 118.190 118.190 120.118 -1.928 25476 12034 1 18 . 1 1 97 97 GLU HA H 97 3.740 3.740 3.959 -0.219 25476 12035 1 18 . 1 1 97 97 GLU C C 97 177.630 177.630 179.140 -1.510 25476 12036 1 18 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.793 0.647 25476 12037 1 18 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.380 -1.160 25476 12038 1 18 . 1 1 97 97 GLU H H 97 8.540 8.540 8.000 0.540 25476 12039 1 18 . 1 1 98 98 TYR N N 98 119.160 119.160 119.550 -0.390 25476 12040 1 18 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.270 -0.200 25476 12041 1 18 . 1 1 98 98 TYR C C 98 179.010 179.010 177.375 1.635 25476 12042 1 18 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.052 1.068 25476 12043 1 18 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.767 0.024 25476 12044 1 18 . 1 1 98 98 TYR H H 98 8.380 8.380 7.712 0.668 25476 12045 1 18 . 1 1 99 99 THR N N 99 109.220 109.220 114.865 -5.645 25476 12046 1 18 . 1 1 99 99 THR HA H 99 4.310 4.310 3.731 0.579 25476 12047 1 18 . 1 1 99 99 THR C C 99 178.320 178.320 176.824 1.496 25476 12048 1 18 . 1 1 99 99 THR CA C 99 64.890 64.890 66.371 -1.481 25476 12049 1 18 . 1 1 99 99 THR CB C 99 69.810 69.810 69.048 0.762 25476 12050 1 18 . 1 1 99 99 THR H H 99 8.480 8.480 7.991 0.489 25476 12051 1 18 . 1 1 100 100 LEU N N 100 128.250 128.250 119.084 9.166 25476 12052 1 18 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.003 -0.463 25476 12053 1 18 . 1 1 100 100 LEU C C 100 177.870 177.870 178.418 -0.548 25476 12054 1 18 . 1 1 100 100 LEU CA C 100 58.200 58.200 57.577 0.623 25476 12055 1 18 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.315 1.145 25476 12056 1 18 . 1 1 100 100 LEU H H 100 8.200 8.200 8.264 -0.064 25476 12057 1 18 . 1 1 101 101 ARG N N 101 118.550 118.550 119.820 -1.270 25476 12058 1 18 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.939 -0.329 25476 12059 1 18 . 1 1 101 101 ARG C C 101 178.930 178.930 178.669 0.261 25476 12060 1 18 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.068 1.392 25476 12061 1 18 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.765 -0.475 25476 12062 1 18 . 1 1 101 101 ARG H H 101 8.440 8.440 7.790 0.650 25476 12063 1 18 . 1 1 102 102 GLU N N 102 119.760 119.760 118.317 1.443 25476 12064 1 18 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.089 -0.169 25476 12065 1 18 . 1 1 102 102 GLU C C 102 178.360 178.360 178.596 -0.236 25476 12066 1 18 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.344 0.606 25476 12067 1 18 . 1 1 102 102 GLU CB C 102 30.020 30.020 28.982 1.038 25476 12068 1 18 . 1 1 102 102 GLU H H 102 7.970 7.970 8.151 -0.181 25476 12069 1 18 . 1 1 103 103 PHE N N 103 119.570 119.570 121.131 -1.561 25476 12070 1 18 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.036 -0.116 25476 12071 1 18 . 1 1 103 103 PHE C C 103 175.350 175.350 176.860 -1.510 25476 12072 1 18 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.420 -0.621 25476 12073 1 18 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.298 0.242 25476 12074 1 18 . 1 1 103 103 PHE H H 103 7.630 7.630 8.097 -0.467 25476 12075 1 18 . 1 1 104 104 HIS N N 104 119.160 119.160 118.635 0.525 25476 12076 1 18 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.141 -1.111 25476 12077 1 18 . 1 1 104 104 HIS C C 104 175.460 175.460 176.949 -1.489 25476 12078 1 18 . 1 1 104 104 HIS CA C 104 60.710 60.710 60.144 0.566 25476 12079 1 18 . 1 1 104 104 HIS CB C 104 31.730 31.730 30.097 1.633 25476 12080 1 18 . 1 1 104 104 HIS H H 104 8.800 8.800 7.920 0.880 25476 12081 1 18 . 1 1 105 105 GLU N N 105 117.900 117.900 119.092 -1.192 25476 12082 1 18 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.947 -0.507 25476 12083 1 18 . 1 1 105 105 GLU C C 105 177.990 177.990 178.501 -0.511 25476 12084 1 18 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.753 -0.143 25476 12085 1 18 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.269 0.031 25476 12086 1 18 . 1 1 105 105 GLU H H 105 7.890 7.890 7.688 0.202 25476 12087 1 18 . 1 1 106 106 LYS N N 106 117.260 117.260 118.891 -1.631 25476 12088 1 18 . 1 1 106 106 LYS HA H 106 3.970 3.970 3.991 -0.021 25476 12089 1 18 . 1 1 106 106 LYS C C 106 179.570 179.570 178.563 1.007 25476 12090 1 18 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.794 -0.084 25476 12091 1 18 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.145 0.635 25476 12092 1 18 . 1 1 106 106 LYS H H 106 6.870 6.870 7.374 -0.504 25476 12093 1 18 . 1 1 107 107 LEU N N 107 123.180 123.180 121.357 1.823 25476 12094 1 18 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.794 -0.344 25476 12095 1 18 . 1 1 107 107 LEU C C 107 177.170 177.170 178.674 -1.504 25476 12096 1 18 . 1 1 107 107 LEU CA C 107 57.340 57.340 57.206 0.134 25476 12097 1 18 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.877 0.363 25476 12098 1 18 . 1 1 107 107 LEU H H 107 8.020 8.020 7.598 0.422 25476 12099 1 18 . 1 1 108 108 ARG N N 108 120.070 120.070 118.631 1.439 25476 12100 1 18 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.711 -0.301 25476 12101 1 18 . 1 1 108 108 ARG C C 108 178.460 178.460 177.906 0.554 25476 12102 1 18 . 1 1 108 108 ARG CA C 108 59.640 59.640 60.318 -0.678 25476 12103 1 18 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.572 -0.362 25476 12104 1 18 . 1 1 108 108 ARG H H 108 8.680 8.680 7.381 1.299 25476 12105 1 18 . 1 1 109 109 ASP N N 109 119.480 119.480 119.228 0.252 25476 12106 1 18 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.358 -0.048 25476 12107 1 18 . 1 1 109 109 ASP C C 109 178.900 178.900 178.307 0.593 25476 12108 1 18 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.102 0.038 25476 12109 1 18 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.307 -0.437 25476 12110 1 18 . 1 1 109 109 ASP H H 109 7.890 7.890 7.431 0.459 25476 12111 1 18 . 1 1 110 110 LEU N N 110 122.740 122.740 120.708 2.032 25476 12112 1 18 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.961 0.140 25476 12113 1 18 . 1 1 110 110 LEU C C 110 179.830 179.830 178.579 1.251 25476 12114 1 18 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.920 -0.240 25476 12115 1 18 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.805 -0.515 25476 12116 1 18 . 1 1 110 110 LEU H H 110 7.650 7.650 7.278 0.372 25476 12117 1 18 . 1 1 111 111 LEU N N 111 122.170 122.170 119.071 3.099 25476 12118 1 18 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.863 -0.033 25476 12119 1 18 . 1 1 111 111 LEU C C 111 179.990 179.990 179.146 0.844 25476 12120 1 18 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.394 0.216 25476 12121 1 18 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.361 -1.981 25476 12122 1 18 . 1 1 111 111 LEU H H 111 8.320 8.320 7.655 0.665 25476 12123 1 18 . 1 1 112 112 ILE N N 112 122.490 122.490 119.280 3.210 25476 12124 1 18 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.598 0.372 25476 12125 1 18 . 1 1 112 112 ILE C C 112 180.930 180.930 178.298 2.632 25476 12126 1 18 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.495 -0.835 25476 12127 1 18 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.660 -0.340 25476 12128 1 18 . 1 1 112 112 ILE H H 112 8.790 8.790 8.272 0.518 25476 12129 1 18 . 1 1 113 113 SER N N 113 119.860 119.860 114.127 5.733 25476 12130 1 18 . 1 1 113 113 SER HA H 113 4.400 4.400 4.208 0.192 25476 12131 1 18 . 1 1 113 113 SER C C 113 174.520 174.520 175.883 -1.363 25476 12132 1 18 . 1 1 113 113 SER CA C 113 61.390 61.390 60.744 0.646 25476 12133 1 18 . 1 1 113 113 SER CB C 113 62.630 62.630 63.295 -0.665 25476 12134 1 18 . 1 1 113 113 SER H H 113 7.720 7.720 7.731 -0.011 25476 12135 1 18 . 1 1 114 114 MET N N 114 121.890 121.890 117.817 4.073 25476 12136 1 18 . 1 1 114 114 MET HA H 114 4.530 4.530 4.505 0.025 25476 12137 1 18 . 1 1 114 114 MET C C 114 173.850 173.850 175.222 -1.372 25476 12138 1 18 . 1 1 114 114 MET CA C 114 55.330 55.330 56.073 -0.743 25476 12139 1 18 . 1 1 114 114 MET CB C 114 34.040 34.040 33.765 0.275 25476 12140 1 18 . 1 1 114 114 MET H H 114 7.480 7.480 7.434 0.046 25476 12141 1 18 . 1 1 115 115 GLU N N 115 114.160 114.160 115.466 -1.306 25476 12142 1 18 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.971 -0.071 25476 12143 1 18 . 1 1 115 115 GLU C C 115 174.880 174.880 175.161 -0.281 25476 12144 1 18 . 1 1 115 115 GLU CA C 115 57.270 57.270 56.933 0.337 25476 12145 1 18 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.060 -0.550 25476 12146 1 18 . 1 1 115 115 GLU H H 115 8.110 8.110 7.872 0.238 25476 12147 1 18 . 1 1 116 116 LEU N N 116 119.870 119.870 120.356 -0.486 25476 12148 1 18 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.526 0.134 25476 12149 1 18 . 1 1 116 116 LEU C C 116 174.910 174.910 176.265 -1.355 25476 12150 1 18 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.205 -0.105 25476 12151 1 18 . 1 1 116 116 LEU CB C 116 45.570 45.570 42.849 2.721 25476 12152 1 18 . 1 1 116 116 LEU H H 116 7.970 7.970 8.049 -0.079 25476 12153 1 18 . 1 1 117 117 ALA N N 117 123.730 123.730 127.457 -3.727 25476 12154 1 18 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.303 0.147 25476 12155 1 18 . 1 1 117 117 ALA C C 117 174.870 174.870 175.748 -0.878 25476 12156 1 18 . 1 1 117 117 ALA CA C 117 50.870 50.870 52.234 -1.364 25476 12157 1 18 . 1 1 117 117 ALA CB C 117 20.700 20.700 19.967 0.733 25476 12158 1 18 . 1 1 117 117 ALA H H 117 7.530 7.530 8.332 -0.802 25476 12159 1 18 . 1 1 118 118 LEU N N 118 121.610 121.610 121.620 -0.010 25476 12160 1 18 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.253 0.227 25476 12161 1 18 . 1 1 118 118 LEU C C 118 175.560 175.560 175.898 -0.338 25476 12162 1 18 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.110 -0.270 25476 12163 1 18 . 1 1 118 118 LEU CB C 118 43.490 43.490 45.761 -2.271 25476 12164 1 18 . 1 1 118 118 LEU H H 118 8.250 8.250 8.398 -0.148 25476 12165 1 18 . 1 1 119 119 GLU N N 119 127.300 127.300 124.109 3.191 25476 12166 1 18 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.979 0.141 25476 12167 1 18 . 1 1 119 119 GLU C C 119 171.510 171.510 174.031 -2.521 25476 12168 1 18 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.561 -0.591 25476 12169 1 18 . 1 1 119 119 GLU CB C 119 32.870 32.870 29.922 2.949 25476 12170 1 18 . 1 1 119 119 GLU H H 119 8.730 8.730 8.721 0.009 25476 12171 1 18 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.619 -0.049 25476 12172 1 18 . 1 1 120 120 PRO C C 120 176.420 176.420 176.805 -0.385 25476 12173 1 18 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.515 -0.755 25476 12174 1 18 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.750 -0.360 25476 12175 1 18 . 1 1 121 121 SER N N 121 117.040 117.040 113.172 3.868 25476 12176 1 18 . 1 1 121 121 SER HA H 121 4.060 4.060 4.411 -0.351 25476 12177 1 18 . 1 1 121 121 SER C C 121 175.150 175.150 176.111 -0.961 25476 12178 1 18 . 1 1 121 121 SER CA C 121 59.230 59.230 57.550 1.680 25476 12179 1 18 . 1 1 121 121 SER CB C 121 62.970 62.970 64.217 -1.247 25476 12180 1 18 . 1 1 121 121 SER H H 121 8.690 8.690 8.151 0.539 25476 12181 1 18 . 1 1 122 122 ASP N N 122 124.140 124.140 122.371 1.769 25476 12182 1 18 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.473 -0.103 25476 12183 1 18 . 1 1 122 122 ASP C C 122 176.240 176.240 175.961 0.279 25476 12184 1 18 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.681 0.419 25476 12185 1 18 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.626 -0.436 25476 12186 1 18 . 1 1 122 122 ASP H H 122 8.830 8.830 8.898 -0.068 25476 12187 1 18 . 1 1 123 123 ASP N N 123 115.720 115.720 118.166 -2.446 25476 12188 1 18 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.730 -0.110 25476 12189 1 18 . 1 1 123 123 ASP C C 123 174.850 174.850 174.865 -0.015 25476 12190 1 18 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.946 -1.156 25476 12191 1 18 . 1 1 123 123 ASP CB C 123 40.270 40.270 39.907 0.363 25476 12192 1 18 . 1 1 123 123 ASP H H 123 8.210 8.210 8.229 -0.019 25476 12193 1 18 . 1 1 124 124 PHE N N 124 122.440 122.440 121.063 1.377 25476 12194 1 18 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.869 0.161 25476 12195 1 18 . 1 1 124 124 PHE C C 124 174.040 174.040 174.550 -0.510 25476 12196 1 18 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.328 -1.288 25476 12197 1 18 . 1 1 124 124 PHE CB C 124 42.170 42.170 39.116 3.054 25476 12198 1 18 . 1 1 124 124 PHE H H 124 8.060 8.060 7.526 0.534 25476 12199 1 18 . 1 1 125 125 ASN N N 125 126.850 126.850 124.717 2.133 25476 12200 1 18 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.596 0.144 25476 12201 1 18 . 1 1 125 125 ASN C C 125 175.070 175.070 173.718 1.352 25476 12202 1 18 . 1 1 125 125 ASN CA C 125 53.430 53.430 53.376 0.054 25476 12203 1 18 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.838 -0.108 25476 12204 1 18 . 1 1 125 125 ASN H H 125 7.700 7.700 8.847 -1.147 25476 12205 1 18 . 1 1 126 126 ASP N N 126 120.330 120.330 118.051 2.279 25476 12206 1 18 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.499 -0.369 25476 12207 1 18 . 1 1 126 126 ASP C C 126 176.280 176.280 174.760 1.520 25476 12208 1 18 . 1 1 126 126 ASP CA C 126 56.030 56.030 53.448 2.582 25476 12209 1 18 . 1 1 126 126 ASP CB C 126 39.100 39.100 41.779 -2.679 25476 12210 1 18 . 1 1 126 126 ASP H H 126 7.300 7.300 7.614 -0.314 25476 12211 1 18 . 1 1 127 127 GLU N N 127 127.840 127.840 119.383 8.457 25476 12212 1 18 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.201 0.159 25476 12213 1 18 . 1 1 127 127 GLU CA C 127 55.470 55.470 56.387 -0.917 25476 12214 1 18 . 1 1 127 127 GLU H H 127 8.320 8.320 8.365 -0.045 25476 12215 1 18 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.489 0.181 25476 12216 1 18 . 1 1 128 128 PRO C C 128 176.010 176.010 176.399 -0.389 25476 12217 1 18 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.545 1.085 25476 12218 1 18 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.648 -0.708 25476 12219 1 18 . 1 1 129 129 VAL N N 129 122.940 122.940 121.329 1.611 25476 12220 1 18 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.885 0.105 25476 12221 1 18 . 1 1 129 129 VAL C C 129 173.650 173.650 175.869 -2.219 25476 12222 1 18 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.625 -1.645 25476 12223 1 18 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.826 -0.696 25476 12224 1 18 . 1 1 129 129 VAL H H 129 7.990 7.990 8.126 -0.136 25476 12225 1 18 . 1 1 130 130 LYS N N 130 124.620 124.620 129.079 -4.459 25476 12226 1 18 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.140 0.370 25476 12227 1 18 . 1 1 130 130 LYS C C 130 174.900 174.900 176.574 -1.674 25476 12228 1 18 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.556 -3.406 25476 12229 1 18 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.485 3.025 25476 12230 1 18 . 1 1 130 130 LYS H H 130 8.240 8.240 8.448 -0.208 25476 12231 1 18 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.295 -0.495 25476 12232 1 18 . 1 1 131 131 LEU C C 131 178.400 178.400 177.747 0.653 25476 12233 1 18 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.426 -0.376 25476 12234 1 18 . 1 1 131 131 LEU CB C 131 40.800 40.800 42.166 -1.366 25476 12235 1 18 . 1 1 132 132 SER N N 132 115.550 115.550 114.175 1.375 25476 12236 1 18 . 1 1 132 132 SER HA H 132 4.610 4.610 4.480 0.130 25476 12237 1 18 . 1 1 132 132 SER C C 132 172.970 172.970 173.937 -0.967 25476 12238 1 18 . 1 1 132 132 SER CA C 132 58.620 58.620 57.687 0.933 25476 12239 1 18 . 1 1 132 132 SER CB C 132 63.310 63.310 61.727 1.583 25476 12240 1 18 . 1 1 132 132 SER H H 132 9.070 9.070 8.031 1.039 25476 12241 1 19 . 1 1 2 2 THR N N 2 118.280 118.280 113.900 4.380 25476 12242 1 19 . 1 1 2 2 THR HA H 2 4.550 4.550 4.441 0.109 25476 12243 1 19 . 1 1 2 2 THR C C 2 174.150 174.150 174.985 -0.835 25476 12244 1 19 . 1 1 2 2 THR CA C 2 61.600 61.600 61.854 -0.254 25476 12245 1 19 . 1 1 2 2 THR CB C 2 69.970 69.970 69.594 0.377 25476 12246 1 19 . 1 1 2 2 THR H H 2 8.470 8.470 8.248 0.222 25476 12247 1 19 . 1 1 3 3 LEU N N 3 125.130 125.130 121.308 3.822 25476 12248 1 19 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.595 0.065 25476 12249 1 19 . 1 1 3 3 LEU C C 3 176.690 176.690 177.938 -1.248 25476 12250 1 19 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.446 0.094 25476 12251 1 19 . 1 1 3 3 LEU CB C 3 40.050 40.050 40.985 -0.935 25476 12252 1 19 . 1 1 3 3 LEU H H 3 8.580 8.580 8.224 0.356 25476 12253 1 19 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.325 0.035 25476 12254 1 19 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.688 0.782 25476 12255 1 19 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.699 0.191 25476 12256 1 19 . 1 1 5 5 SER HA H 5 4.580 4.580 4.256 0.324 25476 12257 1 19 . 1 1 5 5 SER C C 5 175.510 175.510 175.379 0.131 25476 12258 1 19 . 1 1 5 5 SER CA C 5 59.410 59.410 58.609 0.801 25476 12259 1 19 . 1 1 5 5 SER CB C 5 63.110 63.110 63.026 0.084 25476 12260 1 19 . 1 1 6 6 GLY N N 6 112.010 112.010 109.284 2.726 25476 12261 1 19 . 1 1 6 6 GLY C C 6 173.300 173.300 174.863 -1.563 25476 12262 1 19 . 1 1 6 6 GLY CA C 6 44.530 44.530 44.931 -0.401 25476 12263 1 19 . 1 1 6 6 GLY H H 6 8.620 8.620 7.626 0.994 25476 12264 1 19 . 1 1 7 7 HIS N N 7 119.440 119.440 121.270 -1.830 25476 12265 1 19 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.986 -0.306 25476 12266 1 19 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.225 3.115 25476 12267 1 19 . 1 1 7 7 HIS CB C 7 31.030 31.030 29.929 1.101 25476 12268 1 19 . 1 1 7 7 HIS H H 7 7.170 7.170 7.740 -0.570 25476 12269 1 19 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.515 0.275 25476 12270 1 19 . 1 1 8 8 PRO C C 8 178.140 178.140 177.474 0.666 25476 12271 1 19 . 1 1 8 8 PRO CA C 8 62.850 62.850 62.976 -0.126 25476 12272 1 19 . 1 1 8 8 PRO CB C 8 31.980 31.980 33.133 -1.153 25476 12273 1 19 . 1 1 9 9 LYS N N 9 127.570 127.570 126.470 1.100 25476 12274 1 19 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.237 -0.067 25476 12275 1 19 . 1 1 9 9 LYS C C 9 178.050 178.050 178.517 -0.467 25476 12276 1 19 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.406 0.424 25476 12277 1 19 . 1 1 9 9 LYS H H 9 9.000 9.000 8.911 0.089 25476 12278 1 19 . 1 1 10 10 SER N N 10 113.610 113.610 114.219 -0.609 25476 12279 1 19 . 1 1 10 10 SER HA H 10 4.120 4.120 4.287 -0.167 25476 12280 1 19 . 1 1 10 10 SER C C 10 176.750 176.750 176.553 0.197 25476 12281 1 19 . 1 1 10 10 SER CA C 10 61.050 61.050 61.389 -0.339 25476 12282 1 19 . 1 1 10 10 SER H H 10 9.170 9.170 8.391 0.779 25476 12283 1 19 . 1 1 11 11 ARG N N 11 122.220 122.220 121.315 0.905 25476 12284 1 19 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.226 -0.076 25476 12285 1 19 . 1 1 11 11 ARG C C 11 177.890 177.890 178.010 -0.120 25476 12286 1 19 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.541 -0.261 25476 12287 1 19 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.782 0.229 25476 12288 1 19 . 1 1 11 11 ARG H H 11 7.100 7.100 7.993 -0.893 25476 12289 1 19 . 1 1 12 12 LEU N N 12 121.360 121.360 121.574 -0.214 25476 12290 1 19 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.679 -0.109 25476 12291 1 19 . 1 1 12 12 LEU C C 12 177.890 177.890 178.451 -0.561 25476 12292 1 19 . 1 1 12 12 LEU CA C 12 56.000 56.000 57.962 -1.962 25476 12293 1 19 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.149 -1.709 25476 12294 1 19 . 1 1 12 12 LEU H H 12 7.220 7.220 8.190 -0.970 25476 12295 1 19 . 1 1 13 13 ILE N N 13 118.920 118.920 119.061 -0.141 25476 12296 1 19 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.631 0.139 25476 12297 1 19 . 1 1 13 13 ILE C C 13 179.060 179.060 178.652 0.408 25476 12298 1 19 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.725 0.405 25476 12299 1 19 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.599 -0.169 25476 12300 1 19 . 1 1 13 13 ILE H H 13 8.590 8.590 8.632 -0.042 25476 12301 1 19 . 1 1 14 14 LYS N N 14 121.950 121.950 119.546 2.404 25476 12302 1 19 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.018 0.112 25476 12303 1 19 . 1 1 14 14 LYS C C 14 179.810 179.810 179.152 0.658 25476 12304 1 19 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.749 1.311 25476 12305 1 19 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.151 -0.071 25476 12306 1 19 . 1 1 14 14 LYS H H 14 7.730 7.730 7.491 0.239 25476 12307 1 19 . 1 1 15 15 LYS N N 15 119.750 119.750 119.306 0.444 25476 12308 1 19 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.953 0.167 25476 12309 1 19 . 1 1 15 15 LYS C C 15 179.700 179.700 179.487 0.213 25476 12310 1 19 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.290 -0.560 25476 12311 1 19 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.346 -0.396 25476 12312 1 19 . 1 1 15 15 LYS H H 15 7.800 7.800 7.968 -0.168 25476 12313 1 19 . 1 1 16 16 PHE N N 16 117.660 117.660 117.949 -0.289 25476 12314 1 19 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.269 0.491 25476 12315 1 19 . 1 1 16 16 PHE C C 16 180.960 180.960 178.103 2.857 25476 12316 1 19 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.029 -3.389 25476 12317 1 19 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.056 0.744 25476 12318 1 19 . 1 1 16 16 PHE H H 16 9.130 9.130 8.572 0.558 25476 12319 1 19 . 1 1 17 17 THR N N 17 120.130 120.130 115.554 4.576 25476 12320 1 19 . 1 1 17 17 THR HA H 17 4.370 4.370 4.048 0.322 25476 12321 1 19 . 1 1 17 17 THR C C 17 175.550 175.550 176.075 -0.525 25476 12322 1 19 . 1 1 17 17 THR CA C 17 66.840 66.840 66.171 0.669 25476 12323 1 19 . 1 1 17 17 THR CB C 17 68.920 68.920 68.207 0.713 25476 12324 1 19 . 1 1 17 17 THR H H 17 8.940 8.940 7.656 1.284 25476 12325 1 19 . 1 1 18 18 ALA N N 18 122.170 122.170 123.203 -1.033 25476 12326 1 19 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.233 0.147 25476 12327 1 19 . 1 1 18 18 ALA C C 18 178.110 178.110 177.895 0.215 25476 12328 1 19 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.796 -0.406 25476 12329 1 19 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.433 -0.133 25476 12330 1 19 . 1 1 18 18 ALA H H 18 7.310 7.310 7.924 -0.614 25476 12331 1 19 . 1 1 19 19 LEU N N 19 116.080 116.080 116.504 -0.424 25476 12332 1 19 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.541 -0.171 25476 12333 1 19 . 1 1 19 19 LEU C C 19 176.620 176.620 176.157 0.463 25476 12334 1 19 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.139 2.491 25476 12335 1 19 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.145 0.275 25476 12336 1 19 . 1 1 19 19 LEU H H 19 7.580 7.580 7.845 -0.265 25476 12337 1 19 . 1 1 20 20 GLY N N 20 103.280 103.280 106.631 -3.351 25476 12338 1 19 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.925 -0.865 25476 12339 1 19 . 1 1 20 20 GLY H H 20 7.650 7.650 7.295 0.355 25476 12340 1 19 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.434 0.436 25476 12341 1 19 . 1 1 21 21 PRO C C 21 174.850 174.850 176.499 -1.649 25476 12342 1 19 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.429 0.711 25476 12343 1 19 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.575 -3.675 25476 12344 1 19 . 1 1 22 22 TYR N N 22 120.690 120.690 118.284 2.406 25476 12345 1 19 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.257 0.923 25476 12346 1 19 . 1 1 22 22 TYR C C 22 176.340 176.340 176.572 -0.232 25476 12347 1 19 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.353 -1.573 25476 12348 1 19 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.169 3.331 25476 12349 1 19 . 1 1 22 22 TYR H H 22 7.680 7.680 8.475 -0.795 25476 12350 1 19 . 1 1 23 23 ILE N N 23 119.130 119.130 124.786 -5.656 25476 12351 1 19 . 1 1 23 23 ILE HA H 23 4.120 4.120 3.892 0.228 25476 12352 1 19 . 1 1 23 23 ILE C C 23 174.210 174.210 176.486 -2.276 25476 12353 1 19 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.222 0.608 25476 12354 1 19 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.201 0.299 25476 12355 1 19 . 1 1 23 23 ILE H H 23 8.860 8.860 8.306 0.554 25476 12356 1 19 . 1 1 24 24 ARG N N 24 126.540 126.540 129.684 -3.144 25476 12357 1 19 . 1 1 24 24 ARG C C 24 177.290 177.290 175.763 1.527 25476 12358 1 19 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.658 -3.568 25476 12359 1 19 . 1 1 24 24 ARG H H 24 8.100 8.100 8.457 -0.357 25476 12360 1 19 . 1 1 25 25 GLU N N 25 126.990 126.990 124.941 2.049 25476 12361 1 19 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.595 -0.495 25476 12362 1 19 . 1 1 25 25 GLU C C 25 176.780 176.780 176.383 0.397 25476 12363 1 19 . 1 1 25 25 GLU CA C 25 60.860 60.860 56.139 4.721 25476 12364 1 19 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.273 -0.623 25476 12365 1 19 . 1 1 25 25 GLU H H 25 9.400 9.400 7.993 1.407 25476 12366 1 19 . 1 1 26 26 GLY N N 26 109.830 109.830 108.562 1.268 25476 12367 1 19 . 1 1 26 26 GLY C C 26 174.380 174.380 173.637 0.743 25476 12368 1 19 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.086 1.434 25476 12369 1 19 . 1 1 26 26 GLY H H 26 8.070 8.070 8.501 -0.431 25476 12370 1 19 . 1 1 27 27 GLN N N 27 117.670 117.670 119.157 -1.487 25476 12371 1 19 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.487 -0.177 25476 12372 1 19 . 1 1 27 27 GLN C C 27 175.350 175.350 175.009 0.341 25476 12373 1 19 . 1 1 27 27 GLN CA C 27 55.320 55.320 55.116 0.204 25476 12374 1 19 . 1 1 27 27 GLN CB C 27 29.340 29.340 28.515 0.825 25476 12375 1 19 . 1 1 27 27 GLN H H 27 7.690 7.690 8.539 -0.849 25476 12376 1 19 . 1 1 28 28 CYS N N 28 119.770 119.770 118.254 1.516 25476 12377 1 19 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.180 0.360 25476 12378 1 19 . 1 1 28 28 CYS C C 28 173.480 173.480 174.112 -0.632 25476 12379 1 19 . 1 1 28 28 CYS CA C 28 58.810 58.810 59.974 -1.164 25476 12380 1 19 . 1 1 28 28 CYS CB C 28 27.070 27.070 26.869 0.201 25476 12381 1 19 . 1 1 28 28 CYS H H 28 7.510 7.510 8.701 -1.191 25476 12382 1 19 . 1 1 29 29 GLU N N 29 124.370 124.370 119.548 4.822 25476 12383 1 19 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.488 0.052 25476 12384 1 19 . 1 1 29 29 GLU C C 29 174.810 174.810 175.157 -0.347 25476 12385 1 19 . 1 1 29 29 GLU CA C 29 55.560 55.560 55.505 0.055 25476 12386 1 19 . 1 1 29 29 GLU CB C 29 30.030 30.030 31.915 -1.885 25476 12387 1 19 . 1 1 29 29 GLU H H 29 7.840 7.840 7.943 -0.103 25476 12388 1 19 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.662 -0.082 25476 12389 1 19 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.409 1.041 25476 12390 1 19 . 1 1 31 31 ASN CB C 31 39.200 39.200 39.997 -0.797 25476 12391 1 19 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.494 1.016 25476 12392 1 19 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.173 0.877 25476 12393 1 19 . 1 1 32 32 ARG CB C 32 33.480 33.480 30.739 2.741 25476 12394 1 19 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.920 0.320 25476 12395 1 19 . 1 1 34 34 PHE C C 34 172.210 172.210 173.844 -1.634 25476 12396 1 19 . 1 1 34 34 PHE CA C 34 57.690 57.690 56.467 1.223 25476 12397 1 19 . 1 1 34 34 PHE CB C 34 44.100 44.100 42.057 2.043 25476 12398 1 19 . 1 1 35 35 PHE N N 35 125.800 125.800 125.528 0.272 25476 12399 1 19 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.498 0.672 25476 12400 1 19 . 1 1 35 35 PHE C C 35 173.110 173.110 173.595 -0.485 25476 12401 1 19 . 1 1 35 35 PHE CA C 35 54.860 54.860 56.411 -1.551 25476 12402 1 19 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.078 1.172 25476 12403 1 19 . 1 1 35 35 PHE H H 35 8.660 8.660 8.435 0.225 25476 12404 1 19 . 1 1 36 36 ASP N N 36 120.960 120.960 123.517 -2.557 25476 12405 1 19 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.044 0.536 25476 12406 1 19 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.177 1.983 25476 12407 1 19 . 1 1 36 36 ASP CB C 36 41.030 41.030 40.307 0.723 25476 12408 1 19 . 1 1 36 36 ASP H H 36 9.370 9.370 8.310 1.060 25476 12409 1 19 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.715 -0.725 25476 12410 1 19 . 1 1 37 37 CYS C C 37 173.460 173.460 173.931 -0.471 25476 12411 1 19 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.198 0.412 25476 12412 1 19 . 1 1 37 37 CYS CB C 37 27.170 27.170 29.566 -2.396 25476 12413 1 19 . 1 1 38 38 LEU N N 38 131.890 131.890 126.194 5.696 25476 12414 1 19 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.813 -0.603 25476 12415 1 19 . 1 1 38 38 LEU C C 38 175.570 175.570 176.970 -1.400 25476 12416 1 19 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.158 -0.628 25476 12417 1 19 . 1 1 38 38 LEU CB C 38 37.270 37.270 42.124 -4.854 25476 12418 1 19 . 1 1 38 38 LEU H H 38 8.430 8.430 8.736 -0.306 25476 12419 1 19 . 1 1 39 39 ALA N N 39 127.100 127.100 129.831 -2.731 25476 12420 1 19 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.530 -0.190 25476 12421 1 19 . 1 1 39 39 ALA C C 39 178.500 178.500 176.856 1.644 25476 12422 1 19 . 1 1 39 39 ALA CA C 39 55.380 55.380 52.921 2.459 25476 12423 1 19 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.512 0.598 25476 12424 1 19 . 1 1 39 39 ALA H H 39 7.960 7.960 8.511 -0.551 25476 12425 1 19 . 1 1 40 40 VAL N N 40 116.260 116.260 117.058 -0.798 25476 12426 1 19 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.589 0.031 25476 12427 1 19 . 1 1 40 40 VAL C C 40 173.990 173.990 174.471 -0.481 25476 12428 1 19 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.182 0.758 25476 12429 1 19 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.547 0.933 25476 12430 1 19 . 1 1 40 40 VAL H H 40 8.590 8.590 7.874 0.716 25476 12431 1 19 . 1 1 41 41 CYS HA H 41 3.880 3.880 5.063 -1.183 25476 12432 1 19 . 1 1 41 41 CYS C C 41 174.640 174.640 174.925 -0.285 25476 12433 1 19 . 1 1 41 41 CYS CA C 41 59.280 59.280 57.846 1.435 25476 12434 1 19 . 1 1 41 41 CYS CB C 41 26.700 26.700 29.303 -2.603 25476 12435 1 19 . 1 1 42 42 VAL N N 42 131.320 131.320 124.641 6.679 25476 12436 1 19 . 1 1 42 42 VAL HA H 42 3.480 3.480 4.106 -0.626 25476 12437 1 19 . 1 1 42 42 VAL C C 42 176.270 176.270 175.497 0.773 25476 12438 1 19 . 1 1 42 42 VAL CA C 42 65.390 65.390 62.814 2.576 25476 12439 1 19 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.953 -0.113 25476 12440 1 19 . 1 1 42 42 VAL H H 42 8.610 8.610 8.208 0.402 25476 12441 1 19 . 1 1 43 43 ASN N N 43 116.070 116.070 116.959 -0.889 25476 12442 1 19 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.817 -0.027 25476 12443 1 19 . 1 1 43 43 ASN C C 43 175.160 175.160 173.461 1.699 25476 12444 1 19 . 1 1 43 43 ASN CA C 43 52.690 52.690 53.607 -0.917 25476 12445 1 19 . 1 1 43 43 ASN CB C 43 39.940 39.940 40.069 -0.129 25476 12446 1 19 . 1 1 43 43 ASN H H 43 7.280 7.280 7.598 -0.318 25476 12447 1 19 . 1 1 44 44 VAL N N 44 121.350 121.350 122.343 -0.993 25476 12448 1 19 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.234 -0.114 25476 12449 1 19 . 1 1 44 44 VAL C C 44 175.460 175.460 176.283 -0.823 25476 12450 1 19 . 1 1 44 44 VAL CA C 44 61.930 61.930 61.154 0.776 25476 12451 1 19 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.305 -0.675 25476 12452 1 19 . 1 1 44 44 VAL H H 44 8.520 8.520 8.618 -0.098 25476 12453 1 19 . 1 1 45 45 LYS N N 45 123.190 123.190 120.348 2.842 25476 12454 1 19 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.265 -0.055 25476 12455 1 19 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.036 1.044 25476 12456 1 19 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.145 0.355 25476 12457 1 19 . 1 1 45 45 LYS H H 45 8.100 8.100 7.869 0.231 25476 12458 1 19 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.451 -0.081 25476 12459 1 19 . 1 1 46 46 PRO C C 46 174.380 174.380 176.164 -1.784 25476 12460 1 19 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.277 0.783 25476 12461 1 19 . 1 1 46 46 PRO CB C 46 31.660 31.660 31.941 -0.281 25476 12462 1 19 . 1 1 47 47 ALA N N 47 124.500 124.500 121.030 3.470 25476 12463 1 19 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.261 0.209 25476 12464 1 19 . 1 1 47 47 ALA C C 47 176.130 176.130 178.097 -1.967 25476 12465 1 19 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.660 -0.920 25476 12466 1 19 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.242 -0.942 25476 12467 1 19 . 1 1 47 47 ALA H H 47 8.300 8.300 8.482 -0.182 25476 12468 1 19 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.224 -0.414 25476 12469 1 19 . 1 1 48 48 PRO C C 48 178.270 178.270 178.191 0.079 25476 12470 1 19 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.758 1.392 25476 12471 1 19 . 1 1 48 48 PRO CB C 48 31.990 31.990 31.874 0.116 25476 12472 1 19 . 1 1 49 49 GLU N N 49 116.300 116.300 117.651 -1.351 25476 12473 1 19 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.042 0.248 25476 12474 1 19 . 1 1 49 49 GLU C C 49 176.550 176.550 176.788 -0.238 25476 12475 1 19 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.550 -0.430 25476 12476 1 19 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.462 -0.172 25476 12477 1 19 . 1 1 49 49 GLU H H 49 9.390 9.390 8.711 0.679 25476 12478 1 19 . 1 1 50 50 LYS N N 50 120.030 120.030 117.922 2.108 25476 12479 1 19 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.413 0.047 25476 12480 1 19 . 1 1 50 50 LYS C C 50 175.070 175.070 175.372 -0.302 25476 12481 1 19 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.019 -0.349 25476 12482 1 19 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.864 0.306 25476 12483 1 19 . 1 1 50 50 LYS H H 50 8.350 8.350 7.281 1.069 25476 12484 1 19 . 1 1 51 51 ARG N N 51 119.720 119.720 122.324 -2.604 25476 12485 1 19 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.406 -0.106 25476 12486 1 19 . 1 1 51 51 ARG C C 51 174.530 174.530 174.700 -0.170 25476 12487 1 19 . 1 1 51 51 ARG CA C 51 56.690 56.690 55.811 0.879 25476 12488 1 19 . 1 1 51 51 ARG CB C 51 32.000 32.000 31.547 0.453 25476 12489 1 19 . 1 1 51 51 ARG H H 51 7.220 7.220 7.361 -0.141 25476 12490 1 19 . 1 1 52 52 GLU N N 52 119.700 119.700 123.290 -3.590 25476 12491 1 19 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.112 0.578 25476 12492 1 19 . 1 1 52 52 GLU C C 52 175.260 175.260 174.677 0.583 25476 12493 1 19 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.694 0.036 25476 12494 1 19 . 1 1 52 52 GLU H H 52 8.690 8.690 7.688 1.002 25476 12495 1 19 . 1 1 53 53 PHE N N 53 116.950 116.950 117.606 -0.656 25476 12496 1 19 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.795 0.365 25476 12497 1 19 . 1 1 53 53 PHE C C 53 174.970 174.970 174.630 0.340 25476 12498 1 19 . 1 1 53 53 PHE CA C 53 56.960 56.960 56.151 0.809 25476 12499 1 19 . 1 1 53 53 PHE CB C 53 44.210 44.210 42.420 1.790 25476 12500 1 19 . 1 1 53 53 PHE H H 53 8.590 8.590 7.719 0.871 25476 12501 1 19 . 1 1 54 54 TRP N N 54 123.100 123.100 119.262 3.838 25476 12502 1 19 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.863 1.037 25476 12503 1 19 . 1 1 54 54 TRP C C 54 177.820 177.820 176.299 1.521 25476 12504 1 19 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.132 -0.892 25476 12505 1 19 . 1 1 54 54 TRP CB C 54 31.870 31.870 31.796 0.074 25476 12506 1 19 . 1 1 54 54 TRP H H 54 9.520 9.520 9.070 0.450 25476 12507 1 19 . 1 1 55 55 GLY N N 55 110.840 110.840 107.516 3.324 25476 12508 1 19 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.207 2.033 25476 12509 1 19 . 1 1 55 55 GLY H H 55 9.550 9.550 8.741 0.809 25476 12510 1 19 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.457 0.753 25476 12511 1 19 . 1 1 57 57 TRP CA C 57 57.700 57.700 56.116 1.584 25476 12512 1 19 . 1 1 58 58 MET N N 58 122.630 122.630 123.706 -1.076 25476 12513 1 19 . 1 1 58 58 MET HA H 58 4.370 4.370 5.537 -1.167 25476 12514 1 19 . 1 1 58 58 MET CA C 58 55.230 55.230 54.102 1.128 25476 12515 1 19 . 1 1 58 58 MET CB C 58 35.910 35.910 34.523 1.387 25476 12516 1 19 . 1 1 58 58 MET H H 58 9.680 9.680 8.776 0.904 25476 12517 1 19 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.752 0.678 25476 12518 1 19 . 1 1 59 59 GLU C C 59 175.570 175.570 175.097 0.473 25476 12519 1 19 . 1 1 59 59 GLU CA C 59 54.260 54.260 55.097 -0.837 25476 12520 1 19 . 1 1 60 60 LEU N N 60 126.920 126.920 121.284 5.636 25476 12521 1 19 . 1 1 60 60 LEU HA H 60 6.060 6.060 5.253 0.807 25476 12522 1 19 . 1 1 60 60 LEU C C 60 176.470 176.470 174.914 1.556 25476 12523 1 19 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.452 -0.841 25476 12524 1 19 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.967 1.513 25476 12525 1 19 . 1 1 60 60 LEU H H 60 9.610 9.610 8.574 1.036 25476 12526 1 19 . 1 1 61 61 GLU N N 61 123.560 123.560 120.914 2.646 25476 12527 1 19 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.490 0.690 25476 12528 1 19 . 1 1 61 61 GLU C C 61 174.930 174.930 174.982 -0.052 25476 12529 1 19 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.936 0.114 25476 12530 1 19 . 1 1 61 61 GLU CB C 61 32.200 32.200 33.231 -1.031 25476 12531 1 19 . 1 1 61 61 GLU H H 61 9.070 9.070 7.840 1.230 25476 12532 1 19 . 1 1 62 62 ALA N N 62 129.830 129.830 129.427 0.403 25476 12533 1 19 . 1 1 62 62 ALA HA H 62 3.120 3.120 2.991 0.129 25476 12534 1 19 . 1 1 62 62 ALA C C 62 175.760 175.760 177.057 -1.297 25476 12535 1 19 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.656 0.024 25476 12536 1 19 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.514 2.816 25476 12537 1 19 . 1 1 62 62 ALA H H 62 9.030 9.030 8.377 0.653 25476 12538 1 19 . 1 1 63 63 GLN N N 63 122.550 122.550 123.700 -1.150 25476 12539 1 19 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.155 0.595 25476 12540 1 19 . 1 1 63 63 GLN C C 63 175.470 175.470 177.326 -1.856 25476 12541 1 19 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.931 -0.991 25476 12542 1 19 . 1 1 63 63 GLN CB C 63 29.650 29.650 29.627 0.023 25476 12543 1 19 . 1 1 63 63 GLN H H 63 8.170 8.170 7.878 0.292 25476 12544 1 19 . 1 1 64 64 GLU N N 64 120.760 120.760 119.732 1.028 25476 12545 1 19 . 1 1 64 64 GLU HA H 64 3.550 3.550 3.963 -0.413 25476 12546 1 19 . 1 1 64 64 GLU C C 64 176.740 176.740 176.273 0.467 25476 12547 1 19 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.178 2.162 25476 12548 1 19 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.938 -0.317 25476 12549 1 19 . 1 1 64 64 GLU H H 64 8.730 8.730 8.583 0.147 25476 12550 1 19 . 1 1 65 65 LYS N N 65 112.820 112.820 113.141 -0.321 25476 12551 1 19 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.357 0.273 25476 12552 1 19 . 1 1 65 65 LYS C C 65 175.960 175.960 174.651 1.309 25476 12553 1 19 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.950 -1.159 25476 12554 1 19 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.606 0.694 25476 12555 1 19 . 1 1 65 65 LYS H H 65 8.750 8.750 7.834 0.916 25476 12556 1 19 . 1 1 66 66 ARG N N 66 115.100 115.100 116.635 -1.535 25476 12557 1 19 . 1 1 66 66 ARG HA H 66 5.300 5.300 5.024 0.276 25476 12558 1 19 . 1 1 66 66 ARG C C 66 172.980 172.980 173.720 -0.740 25476 12559 1 19 . 1 1 66 66 ARG CA C 66 53.530 53.530 54.967 -1.437 25476 12560 1 19 . 1 1 66 66 ARG CB C 66 33.000 33.000 32.630 0.370 25476 12561 1 19 . 1 1 66 66 ARG H H 66 7.520 7.520 7.430 0.090 25476 12562 1 19 . 1 1 67 67 PHE N N 67 119.960 119.960 117.520 2.440 25476 12563 1 19 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.880 0.860 25476 12564 1 19 . 1 1 67 67 PHE C C 67 176.040 176.040 174.554 1.486 25476 12565 1 19 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.355 -1.235 25476 12566 1 19 . 1 1 67 67 PHE CB C 67 41.950 41.950 44.011 -2.061 25476 12567 1 19 . 1 1 67 67 PHE H H 67 9.220 9.220 8.883 0.337 25476 12568 1 19 . 1 1 68 68 THR N N 68 111.030 111.030 115.890 -4.860 25476 12569 1 19 . 1 1 68 68 THR HA H 68 6.310 6.310 4.757 1.553 25476 12570 1 19 . 1 1 68 68 THR C C 68 175.340 175.340 172.168 3.172 25476 12571 1 19 . 1 1 68 68 THR CA C 68 57.990 57.990 60.040 -2.050 25476 12572 1 19 . 1 1 68 68 THR CB C 68 70.260 70.260 70.809 -0.549 25476 12573 1 19 . 1 1 68 68 THR H H 68 9.200 9.200 8.039 1.161 25476 12574 1 19 . 1 1 69 69 TYR N N 69 115.700 115.700 125.038 -9.338 25476 12575 1 19 . 1 1 69 69 TYR HA H 69 6.090 6.090 5.146 0.944 25476 12576 1 19 . 1 1 69 69 TYR C C 69 173.310 173.310 174.406 -1.096 25476 12577 1 19 . 1 1 69 69 TYR CA C 69 55.500 55.500 56.554 -1.054 25476 12578 1 19 . 1 1 69 69 TYR CB C 69 44.600 44.600 41.703 2.897 25476 12579 1 19 . 1 1 69 69 TYR H H 69 8.190 8.190 8.301 -0.111 25476 12580 1 19 . 1 1 70 70 ARG N N 70 115.070 115.070 117.874 -2.804 25476 12581 1 19 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.633 0.877 25476 12582 1 19 . 1 1 70 70 ARG C C 70 175.220 175.220 174.316 0.904 25476 12583 1 19 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.536 0.614 25476 12584 1 19 . 1 1 70 70 ARG CB C 70 32.780 32.780 34.936 -2.156 25476 12585 1 19 . 1 1 70 70 ARG H H 70 8.160 8.160 8.599 -0.439 25476 12586 1 19 . 1 1 71 71 TYR N N 71 118.750 118.750 120.609 -1.859 25476 12587 1 19 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.088 0.032 25476 12588 1 19 . 1 1 71 71 TYR H H 71 9.220 9.220 7.794 1.426 25476 12589 1 19 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.423 -0.003 25476 12590 1 19 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.188 0.662 25476 12591 1 19 . 1 1 72 72 GLN CB C 72 30.990 30.990 33.429 -2.439 25476 12592 1 19 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.450 1.380 25476 12593 1 19 . 1 1 73 73 PHE C C 73 177.280 177.280 175.876 1.404 25476 12594 1 19 . 1 1 73 73 PHE CA C 73 53.680 53.680 58.103 -4.423 25476 12595 1 19 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.240 -0.440 25476 12596 1 19 . 1 1 74 74 GLY N N 74 108.520 108.520 110.203 -1.683 25476 12597 1 19 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.251 2.229 25476 12598 1 19 . 1 1 74 74 GLY H H 74 9.350 9.350 8.110 1.240 25476 12599 1 19 . 1 1 75 75 LEU HA H 75 5.370 5.370 4.956 0.414 25476 12600 1 19 . 1 1 75 75 LEU C C 75 174.270 174.270 175.030 -0.760 25476 12601 1 19 . 1 1 75 75 LEU CA C 75 53.790 53.790 55.226 -1.436 25476 12602 1 19 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.330 0.530 25476 12603 1 19 . 1 1 76 76 PHE N N 76 135.230 135.230 126.859 8.371 25476 12604 1 19 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.205 -0.865 25476 12605 1 19 . 1 1 76 76 PHE C C 76 174.690 174.690 173.560 1.130 25476 12606 1 19 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.929 -0.029 25476 12607 1 19 . 1 1 76 76 PHE H H 76 9.840 9.840 8.536 1.304 25476 12608 1 19 . 1 1 77 77 ASP N N 77 125.580 125.580 127.010 -1.430 25476 12609 1 19 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.566 -0.236 25476 12610 1 19 . 1 1 77 77 ASP C C 77 178.310 178.310 176.400 1.910 25476 12611 1 19 . 1 1 77 77 ASP CA C 77 52.750 52.750 53.081 -0.331 25476 12612 1 19 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.912 -1.452 25476 12613 1 19 . 1 1 77 77 ASP H H 77 7.940 7.940 8.422 -0.482 25476 12614 1 19 . 1 1 78 78 LYS N N 78 116.610 116.610 119.586 -2.976 25476 12615 1 19 . 1 1 78 78 LYS HA H 78 4.090 4.090 4.004 0.086 25476 12616 1 19 . 1 1 78 78 LYS C C 78 176.910 176.910 177.596 -0.686 25476 12617 1 19 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.801 -1.221 25476 12618 1 19 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.325 -1.295 25476 12619 1 19 . 1 1 78 78 LYS H H 78 9.030 9.030 8.556 0.474 25476 12620 1 19 . 1 1 79 79 GLU N N 79 120.510 120.510 117.996 2.514 25476 12621 1 19 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.202 0.058 25476 12622 1 19 . 1 1 79 79 GLU C C 79 176.160 176.160 176.378 -0.218 25476 12623 1 19 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.034 -0.704 25476 12624 1 19 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.214 0.206 25476 12625 1 19 . 1 1 79 79 GLU H H 79 7.850 7.850 8.165 -0.315 25476 12626 1 19 . 1 1 80 80 GLY N N 80 109.610 109.610 108.105 1.505 25476 12627 1 19 . 1 1 80 80 GLY C C 80 172.820 172.820 173.529 -0.709 25476 12628 1 19 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.178 0.202 25476 12629 1 19 . 1 1 80 80 GLY H H 80 7.800 7.800 7.802 -0.002 25476 12630 1 19 . 1 1 81 81 ASN N N 81 117.680 117.680 119.268 -1.588 25476 12631 1 19 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.788 -0.078 25476 12632 1 19 . 1 1 81 81 ASN C C 81 174.110 174.110 175.153 -1.043 25476 12633 1 19 . 1 1 81 81 ASN CA C 81 51.160 51.160 51.841 -0.681 25476 12634 1 19 . 1 1 81 81 ASN CB C 81 40.160 40.160 38.428 1.732 25476 12635 1 19 . 1 1 81 81 ASN H H 81 7.560 7.560 7.945 -0.385 25476 12636 1 19 . 1 1 82 82 TRP N N 82 122.870 122.870 125.539 -2.669 25476 12637 1 19 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.678 0.472 25476 12638 1 19 . 1 1 82 82 TRP C C 82 177.480 177.480 175.641 1.839 25476 12639 1 19 . 1 1 82 82 TRP CA C 82 57.260 57.260 56.818 0.442 25476 12640 1 19 . 1 1 82 82 TRP H H 82 8.480 8.480 8.352 0.128 25476 12641 1 19 . 1 1 83 83 THR N N 83 118.050 118.050 120.942 -2.892 25476 12642 1 19 . 1 1 83 83 THR HA H 83 4.820 4.820 4.437 0.383 25476 12643 1 19 . 1 1 83 83 THR C C 83 173.630 173.630 173.816 -0.186 25476 12644 1 19 . 1 1 83 83 THR CA C 83 60.470 60.470 61.640 -1.170 25476 12645 1 19 . 1 1 83 83 THR CB C 83 72.050 72.050 70.985 1.065 25476 12646 1 19 . 1 1 83 83 THR H H 83 9.280 9.280 8.445 0.835 25476 12647 1 19 . 1 1 84 84 VAL N N 84 125.990 125.990 122.421 3.569 25476 12648 1 19 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.450 0.080 25476 12649 1 19 . 1 1 84 84 VAL C C 84 175.440 175.440 175.231 0.209 25476 12650 1 19 . 1 1 84 84 VAL CA C 84 64.280 64.280 63.277 1.003 25476 12651 1 19 . 1 1 84 84 VAL CB C 84 31.630 31.630 32.123 -0.493 25476 12652 1 19 . 1 1 84 84 VAL H H 84 9.100 9.100 8.643 0.457 25476 12653 1 19 . 1 1 85 85 VAL N N 85 124.640 124.640 128.865 -4.225 25476 12654 1 19 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.638 0.332 25476 12655 1 19 . 1 1 85 85 VAL CA C 85 58.050 58.050 58.782 -0.732 25476 12656 1 19 . 1 1 85 85 VAL CB C 85 35.190 35.190 35.255 -0.065 25476 12657 1 19 . 1 1 85 85 VAL H H 85 7.430 7.430 8.312 -0.882 25476 12658 1 19 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.616 -0.136 25476 12659 1 19 . 1 1 86 86 PRO C C 86 175.970 175.970 176.362 -0.392 25476 12660 1 19 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.619 0.301 25476 12661 1 19 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.138 -0.208 25476 12662 1 19 . 1 1 87 87 ILE N N 87 123.980 123.980 121.621 2.359 25476 12663 1 19 . 1 1 87 87 ILE HA H 87 3.920 3.920 2.852 1.068 25476 12664 1 19 . 1 1 87 87 ILE C C 87 175.510 175.510 176.149 -0.639 25476 12665 1 19 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.896 0.224 25476 12666 1 19 . 1 1 87 87 ILE CB C 87 37.550 37.550 37.754 -0.204 25476 12667 1 19 . 1 1 87 87 ILE H H 87 8.500 8.500 8.023 0.477 25476 12668 1 19 . 1 1 88 88 ASN N N 88 119.050 119.050 121.982 -2.932 25476 12669 1 19 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.542 -0.182 25476 12670 1 19 . 1 1 88 88 ASN CA C 88 52.210 52.210 53.381 -1.171 25476 12671 1 19 . 1 1 88 88 ASN CB C 88 37.740 37.740 38.967 -1.227 25476 12672 1 19 . 1 1 88 88 ASN H H 88 8.390 8.390 7.780 0.610 25476 12673 1 19 . 1 1 90 90 THR HA H 90 3.800 3.800 3.868 -0.068 25476 12674 1 19 . 1 1 90 90 THR C C 90 175.860 175.860 176.061 -0.201 25476 12675 1 19 . 1 1 90 90 THR CA C 90 66.300 66.300 66.545 -0.245 25476 12676 1 19 . 1 1 90 90 THR CB C 90 68.380 68.380 68.619 -0.239 25476 12677 1 19 . 1 1 91 91 GLU N N 91 120.430 120.430 119.893 0.537 25476 12678 1 19 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.058 0.052 25476 12679 1 19 . 1 1 91 91 GLU C C 91 179.320 179.320 178.769 0.551 25476 12680 1 19 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.146 0.314 25476 12681 1 19 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.904 0.136 25476 12682 1 19 . 1 1 91 91 GLU H H 91 9.440 9.440 8.711 0.729 25476 12683 1 19 . 1 1 92 92 VAL N N 92 119.810 119.810 119.229 0.581 25476 12684 1 19 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.881 -0.261 25476 12685 1 19 . 1 1 92 92 VAL C C 92 177.270 177.270 177.728 -0.458 25476 12686 1 19 . 1 1 92 92 VAL CA C 92 65.950 65.950 64.213 1.737 25476 12687 1 19 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.293 0.187 25476 12688 1 19 . 1 1 92 92 VAL H H 92 7.010 7.010 7.749 -0.739 25476 12689 1 19 . 1 1 93 93 VAL N N 93 120.570 120.570 121.122 -0.552 25476 12690 1 19 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.427 -0.137 25476 12691 1 19 . 1 1 93 93 VAL C C 93 177.970 177.970 177.322 0.648 25476 12692 1 19 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.559 0.791 25476 12693 1 19 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.641 -0.181 25476 12694 1 19 . 1 1 93 93 VAL H H 93 7.720 7.720 7.468 0.252 25476 12695 1 19 . 1 1 94 94 GLU N N 94 118.100 118.100 118.433 -0.333 25476 12696 1 19 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.408 -0.298 25476 12697 1 19 . 1 1 94 94 GLU C C 94 179.420 179.420 178.634 0.786 25476 12698 1 19 . 1 1 94 94 GLU CA C 94 59.650 59.650 58.534 1.116 25476 12699 1 19 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.010 0.380 25476 12700 1 19 . 1 1 94 94 GLU H H 94 8.320 8.320 8.632 -0.312 25476 12701 1 19 . 1 1 95 95 ARG N N 95 120.330 120.330 120.910 -0.580 25476 12702 1 19 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.195 0.175 25476 12703 1 19 . 1 1 95 95 ARG C C 95 179.510 179.510 178.529 0.981 25476 12704 1 19 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.364 -0.824 25476 12705 1 19 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.840 -0.220 25476 12706 1 19 . 1 1 95 95 ARG H H 95 7.350 7.350 7.364 -0.014 25476 12707 1 19 . 1 1 96 96 LEU N N 96 124.600 124.600 119.664 4.936 25476 12708 1 19 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.425 -0.595 25476 12709 1 19 . 1 1 96 96 LEU C C 96 177.600 177.600 179.379 -1.779 25476 12710 1 19 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.528 1.762 25476 12711 1 19 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.299 -1.699 25476 12712 1 19 . 1 1 96 96 LEU H H 96 8.600 8.600 7.754 0.846 25476 12713 1 19 . 1 1 97 97 GLU N N 97 118.190 118.190 119.108 -0.918 25476 12714 1 19 . 1 1 97 97 GLU HA H 97 3.740 3.740 3.885 -0.145 25476 12715 1 19 . 1 1 97 97 GLU C C 97 177.630 177.630 178.900 -1.270 25476 12716 1 19 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.762 0.678 25476 12717 1 19 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.510 -1.290 25476 12718 1 19 . 1 1 97 97 GLU H H 97 8.540 8.540 8.105 0.435 25476 12719 1 19 . 1 1 98 98 TYR N N 98 119.160 119.160 119.800 -0.640 25476 12720 1 19 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.200 -0.130 25476 12721 1 19 . 1 1 98 98 TYR C C 98 179.010 179.010 177.240 1.770 25476 12722 1 19 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.717 0.403 25476 12723 1 19 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.794 -0.004 25476 12724 1 19 . 1 1 98 98 TYR H H 98 8.380 8.380 7.651 0.729 25476 12725 1 19 . 1 1 99 99 THR N N 99 109.220 109.220 114.713 -5.493 25476 12726 1 19 . 1 1 99 99 THR HA H 99 4.310 4.310 3.979 0.331 25476 12727 1 19 . 1 1 99 99 THR C C 99 178.320 178.320 176.770 1.550 25476 12728 1 19 . 1 1 99 99 THR CA C 99 64.890 64.890 66.484 -1.594 25476 12729 1 19 . 1 1 99 99 THR CB C 99 69.810 69.810 68.958 0.852 25476 12730 1 19 . 1 1 99 99 THR H H 99 8.480 8.480 7.820 0.660 25476 12731 1 19 . 1 1 100 100 LEU N N 100 128.250 128.250 122.693 5.557 25476 12732 1 19 . 1 1 100 100 LEU HA H 100 3.540 3.540 3.981 -0.441 25476 12733 1 19 . 1 1 100 100 LEU C C 100 177.870 177.870 178.248 -0.378 25476 12734 1 19 . 1 1 100 100 LEU CA C 100 58.200 58.200 58.396 -0.196 25476 12735 1 19 . 1 1 100 100 LEU CB C 100 41.460 41.460 41.438 0.022 25476 12736 1 19 . 1 1 100 100 LEU H H 100 8.200 8.200 8.336 -0.136 25476 12737 1 19 . 1 1 101 101 ARG N N 101 118.550 118.550 118.505 0.045 25476 12738 1 19 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.856 -0.246 25476 12739 1 19 . 1 1 101 101 ARG C C 101 178.930 178.930 178.708 0.222 25476 12740 1 19 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.214 1.246 25476 12741 1 19 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.773 -0.483 25476 12742 1 19 . 1 1 101 101 ARG H H 101 8.440 8.440 7.455 0.985 25476 12743 1 19 . 1 1 102 102 GLU N N 102 119.760 119.760 119.677 0.083 25476 12744 1 19 . 1 1 102 102 GLU HA H 102 3.920 3.920 3.967 -0.047 25476 12745 1 19 . 1 1 102 102 GLU C C 102 178.360 178.360 179.107 -0.747 25476 12746 1 19 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.958 -0.008 25476 12747 1 19 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.027 0.993 25476 12748 1 19 . 1 1 102 102 GLU H H 102 7.970 7.970 7.718 0.252 25476 12749 1 19 . 1 1 103 103 PHE N N 103 119.570 119.570 120.501 -0.931 25476 12750 1 19 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.149 -0.229 25476 12751 1 19 . 1 1 103 103 PHE C C 103 175.350 175.350 177.192 -1.842 25476 12752 1 19 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.761 -0.961 25476 12753 1 19 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.185 0.354 25476 12754 1 19 . 1 1 103 103 PHE H H 103 7.630 7.630 8.516 -0.886 25476 12755 1 19 . 1 1 104 104 HIS N N 104 119.160 119.160 118.044 1.116 25476 12756 1 19 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.236 -1.206 25476 12757 1 19 . 1 1 104 104 HIS C C 104 175.460 175.460 177.538 -2.078 25476 12758 1 19 . 1 1 104 104 HIS CA C 104 60.710 60.710 59.922 0.788 25476 12759 1 19 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.687 2.043 25476 12760 1 19 . 1 1 104 104 HIS H H 104 8.800 8.800 7.865 0.935 25476 12761 1 19 . 1 1 105 105 GLU N N 105 117.900 117.900 119.416 -1.516 25476 12762 1 19 . 1 1 105 105 GLU HA H 105 3.440 3.440 4.065 -0.625 25476 12763 1 19 . 1 1 105 105 GLU C C 105 177.990 177.990 178.549 -0.559 25476 12764 1 19 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.489 0.121 25476 12765 1 19 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.828 -0.528 25476 12766 1 19 . 1 1 105 105 GLU H H 105 7.890 7.890 7.809 0.081 25476 12767 1 19 . 1 1 106 106 LYS N N 106 117.260 117.260 119.508 -2.248 25476 12768 1 19 . 1 1 106 106 LYS HA H 106 3.970 3.970 4.007 -0.037 25476 12769 1 19 . 1 1 106 106 LYS C C 106 179.570 179.570 178.882 0.688 25476 12770 1 19 . 1 1 106 106 LYS CA C 106 58.710 58.710 59.124 -0.414 25476 12771 1 19 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.154 0.626 25476 12772 1 19 . 1 1 106 106 LYS H H 106 6.870 6.870 8.089 -1.219 25476 12773 1 19 . 1 1 107 107 LEU N N 107 123.180 123.180 121.348 1.832 25476 12774 1 19 . 1 1 107 107 LEU HA H 107 3.450 3.450 4.113 -0.663 25476 12775 1 19 . 1 1 107 107 LEU C C 107 177.170 177.170 178.588 -1.418 25476 12776 1 19 . 1 1 107 107 LEU CA C 107 57.340 57.340 56.751 0.589 25476 12777 1 19 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.739 0.501 25476 12778 1 19 . 1 1 107 107 LEU H H 107 8.020 8.020 7.806 0.214 25476 12779 1 19 . 1 1 108 108 ARG N N 108 120.070 120.070 119.748 0.322 25476 12780 1 19 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.819 -0.409 25476 12781 1 19 . 1 1 108 108 ARG C C 108 178.460 178.460 178.377 0.083 25476 12782 1 19 . 1 1 108 108 ARG CA C 108 59.640 59.640 59.512 0.128 25476 12783 1 19 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.262 -0.052 25476 12784 1 19 . 1 1 108 108 ARG H H 108 8.680 8.680 7.421 1.259 25476 12785 1 19 . 1 1 109 109 ASP N N 109 119.480 119.480 119.030 0.450 25476 12786 1 19 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.358 -0.048 25476 12787 1 19 . 1 1 109 109 ASP C C 109 178.900 178.900 178.587 0.313 25476 12788 1 19 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.069 0.071 25476 12789 1 19 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.542 -0.672 25476 12790 1 19 . 1 1 109 109 ASP H H 109 7.890 7.890 7.557 0.333 25476 12791 1 19 . 1 1 110 110 LEU N N 110 122.740 122.740 120.616 2.124 25476 12792 1 19 . 1 1 110 110 LEU HA H 110 4.100 4.100 4.033 0.067 25476 12793 1 19 . 1 1 110 110 LEU C C 110 179.830 179.830 179.146 0.684 25476 12794 1 19 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.851 -0.171 25476 12795 1 19 . 1 1 110 110 LEU CB C 110 41.290 41.290 42.014 -0.724 25476 12796 1 19 . 1 1 110 110 LEU H H 110 7.650 7.650 7.268 0.382 25476 12797 1 19 . 1 1 111 111 LEU N N 111 122.170 122.170 120.127 2.043 25476 12798 1 19 . 1 1 111 111 LEU HA H 111 3.830 3.830 4.042 -0.212 25476 12799 1 19 . 1 1 111 111 LEU C C 111 179.990 179.990 179.404 0.586 25476 12800 1 19 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.115 0.495 25476 12801 1 19 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.682 -2.302 25476 12802 1 19 . 1 1 111 111 LEU H H 111 8.320 8.320 8.211 0.109 25476 12803 1 19 . 1 1 112 112 ILE N N 112 122.490 122.490 117.953 4.537 25476 12804 1 19 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.737 0.233 25476 12805 1 19 . 1 1 112 112 ILE C C 112 180.930 180.930 177.771 3.159 25476 12806 1 19 . 1 1 112 112 ILE CA C 112 64.660 64.660 64.784 -0.124 25476 12807 1 19 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.800 -0.480 25476 12808 1 19 . 1 1 112 112 ILE H H 112 8.790 8.790 8.277 0.513 25476 12809 1 19 . 1 1 113 113 SER N N 113 119.860 119.860 114.774 5.086 25476 12810 1 19 . 1 1 113 113 SER HA H 113 4.400 4.400 4.288 0.112 25476 12811 1 19 . 1 1 113 113 SER C C 113 174.520 174.520 175.603 -1.083 25476 12812 1 19 . 1 1 113 113 SER CA C 113 61.390 61.390 60.586 0.804 25476 12813 1 19 . 1 1 113 113 SER CB C 113 62.630 62.630 63.334 -0.704 25476 12814 1 19 . 1 1 113 113 SER H H 113 7.720 7.720 7.773 -0.053 25476 12815 1 19 . 1 1 114 114 MET N N 114 121.890 121.890 118.271 3.619 25476 12816 1 19 . 1 1 114 114 MET HA H 114 4.530 4.530 4.491 0.039 25476 12817 1 19 . 1 1 114 114 MET C C 114 173.850 173.850 175.469 -1.619 25476 12818 1 19 . 1 1 114 114 MET CA C 114 55.330 55.330 55.439 -0.109 25476 12819 1 19 . 1 1 114 114 MET CB C 114 34.040 34.040 33.976 0.064 25476 12820 1 19 . 1 1 114 114 MET H H 114 7.480 7.480 7.334 0.146 25476 12821 1 19 . 1 1 115 115 GLU N N 115 114.160 114.160 116.418 -2.258 25476 12822 1 19 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.994 -0.094 25476 12823 1 19 . 1 1 115 115 GLU C C 115 174.880 174.880 175.549 -0.669 25476 12824 1 19 . 1 1 115 115 GLU CA C 115 57.270 57.270 57.083 0.187 25476 12825 1 19 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.168 -0.658 25476 12826 1 19 . 1 1 115 115 GLU H H 115 8.110 8.110 7.852 0.258 25476 12827 1 19 . 1 1 116 116 LEU N N 116 119.870 119.870 118.545 1.325 25476 12828 1 19 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.743 -0.083 25476 12829 1 19 . 1 1 116 116 LEU C C 116 174.910 174.910 175.982 -1.072 25476 12830 1 19 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.506 -0.406 25476 12831 1 19 . 1 1 116 116 LEU CB C 116 45.570 45.570 45.255 0.315 25476 12832 1 19 . 1 1 116 116 LEU H H 116 7.970 7.970 7.864 0.106 25476 12833 1 19 . 1 1 117 117 ALA N N 117 123.730 123.730 121.983 1.747 25476 12834 1 19 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.692 -0.242 25476 12835 1 19 . 1 1 117 117 ALA C C 117 174.870 174.870 175.588 -0.718 25476 12836 1 19 . 1 1 117 117 ALA CA C 117 50.870 50.870 50.870 0.000 25476 12837 1 19 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.637 0.063 25476 12838 1 19 . 1 1 117 117 ALA H H 117 7.530 7.530 8.538 -1.008 25476 12839 1 19 . 1 1 118 118 LEU N N 118 121.610 121.610 125.049 -3.439 25476 12840 1 19 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.361 0.119 25476 12841 1 19 . 1 1 118 118 LEU C C 118 175.560 175.560 175.851 -0.291 25476 12842 1 19 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.856 -1.016 25476 12843 1 19 . 1 1 118 118 LEU CB C 118 43.490 43.490 44.510 -1.020 25476 12844 1 19 . 1 1 118 118 LEU H H 118 8.250 8.250 8.653 -0.403 25476 12845 1 19 . 1 1 119 119 GLU N N 119 127.300 127.300 126.233 1.067 25476 12846 1 19 . 1 1 119 119 GLU HA H 119 5.120 5.120 5.053 0.067 25476 12847 1 19 . 1 1 119 119 GLU C C 119 171.510 171.510 174.048 -2.538 25476 12848 1 19 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.967 -0.996 25476 12849 1 19 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.703 0.167 25476 12850 1 19 . 1 1 119 119 GLU H H 119 8.730 8.730 8.234 0.496 25476 12851 1 19 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.675 -0.105 25476 12852 1 19 . 1 1 120 120 PRO C C 120 176.420 176.420 176.481 -0.061 25476 12853 1 19 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.590 -0.830 25476 12854 1 19 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.506 -0.116 25476 12855 1 19 . 1 1 121 121 SER N N 121 117.040 117.040 114.711 2.329 25476 12856 1 19 . 1 1 121 121 SER HA H 121 4.060 4.060 4.398 -0.338 25476 12857 1 19 . 1 1 121 121 SER C C 121 175.150 175.150 175.962 -0.812 25476 12858 1 19 . 1 1 121 121 SER CA C 121 59.230 59.230 58.545 0.684 25476 12859 1 19 . 1 1 121 121 SER CB C 121 62.970 62.970 63.727 -0.757 25476 12860 1 19 . 1 1 121 121 SER H H 121 8.690 8.690 8.445 0.245 25476 12861 1 19 . 1 1 122 122 ASP N N 122 124.140 124.140 124.512 -0.372 25476 12862 1 19 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.492 -0.122 25476 12863 1 19 . 1 1 122 122 ASP C C 122 176.240 176.240 176.284 -0.044 25476 12864 1 19 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.319 0.781 25476 12865 1 19 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.648 -0.458 25476 12866 1 19 . 1 1 122 122 ASP H H 122 8.830 8.830 8.884 -0.054 25476 12867 1 19 . 1 1 123 123 ASP N N 123 115.720 115.720 116.845 -1.125 25476 12868 1 19 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.761 -0.141 25476 12869 1 19 . 1 1 123 123 ASP C C 123 174.850 174.850 175.331 -0.481 25476 12870 1 19 . 1 1 123 123 ASP CA C 123 52.790 52.790 54.383 -1.593 25476 12871 1 19 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.990 -0.720 25476 12872 1 19 . 1 1 123 123 ASP H H 123 8.210 8.210 8.243 -0.033 25476 12873 1 19 . 1 1 124 124 PHE N N 124 122.440 122.440 121.552 0.888 25476 12874 1 19 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.554 0.476 25476 12875 1 19 . 1 1 124 124 PHE C C 124 174.040 174.040 174.515 -0.475 25476 12876 1 19 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.631 -1.591 25476 12877 1 19 . 1 1 124 124 PHE CB C 124 42.170 42.170 39.997 2.173 25476 12878 1 19 . 1 1 124 124 PHE H H 124 8.060 8.060 7.665 0.395 25476 12879 1 19 . 1 1 125 125 ASN N N 125 126.850 126.850 125.351 1.499 25476 12880 1 19 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.621 0.119 25476 12881 1 19 . 1 1 125 125 ASN C C 125 175.070 175.070 173.785 1.285 25476 12882 1 19 . 1 1 125 125 ASN CA C 125 53.430 53.430 51.729 1.701 25476 12883 1 19 . 1 1 125 125 ASN CB C 125 39.730 39.730 40.594 -0.864 25476 12884 1 19 . 1 1 125 125 ASN H H 125 7.700 7.700 8.407 -0.707 25476 12885 1 19 . 1 1 126 126 ASP N N 126 120.330 120.330 119.770 0.560 25476 12886 1 19 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.278 -0.148 25476 12887 1 19 . 1 1 126 126 ASP C C 126 176.280 176.280 175.798 0.482 25476 12888 1 19 . 1 1 126 126 ASP CA C 126 56.030 56.030 54.609 1.421 25476 12889 1 19 . 1 1 126 126 ASP CB C 126 39.100 39.100 41.180 -2.080 25476 12890 1 19 . 1 1 126 126 ASP H H 126 7.300 7.300 8.066 -0.766 25476 12891 1 19 . 1 1 127 127 GLU N N 127 127.840 127.840 119.136 8.704 25476 12892 1 19 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.204 0.156 25476 12893 1 19 . 1 1 127 127 GLU CA C 127 55.470 55.470 56.096 -0.625 25476 12894 1 19 . 1 1 127 127 GLU H H 127 8.320 8.320 8.471 -0.151 25476 12895 1 19 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.764 -0.094 25476 12896 1 19 . 1 1 128 128 PRO C C 128 176.010 176.010 176.252 -0.242 25476 12897 1 19 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.557 1.073 25476 12898 1 19 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.610 -0.670 25476 12899 1 19 . 1 1 129 129 VAL N N 129 122.940 122.940 121.288 1.652 25476 12900 1 19 . 1 1 129 129 VAL HA H 129 3.990 3.990 4.002 -0.012 25476 12901 1 19 . 1 1 129 129 VAL C C 129 173.650 173.650 175.976 -2.326 25476 12902 1 19 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.659 -1.679 25476 12903 1 19 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.717 -0.587 25476 12904 1 19 . 1 1 129 129 VAL H H 129 7.990 7.990 8.243 -0.253 25476 12905 1 19 . 1 1 130 130 LYS N N 130 124.620 124.620 129.596 -4.976 25476 12906 1 19 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.239 0.271 25476 12907 1 19 . 1 1 130 130 LYS C C 130 174.900 174.900 176.481 -1.581 25476 12908 1 19 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.016 -2.866 25476 12909 1 19 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.204 3.306 25476 12910 1 19 . 1 1 130 130 LYS H H 130 8.240 8.240 8.506 -0.266 25476 12911 1 19 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.386 -0.586 25476 12912 1 19 . 1 1 131 131 LEU C C 131 178.400 178.400 177.740 0.660 25476 12913 1 19 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.861 -0.811 25476 12914 1 19 . 1 1 131 131 LEU CB C 131 40.800 40.800 42.437 -1.637 25476 12915 1 19 . 1 1 132 132 SER N N 132 115.550 115.550 114.063 1.487 25476 12916 1 19 . 1 1 132 132 SER HA H 132 4.610 4.610 4.530 0.080 25476 12917 1 19 . 1 1 132 132 SER C C 132 172.970 172.970 173.737 -0.767 25476 12918 1 19 . 1 1 132 132 SER CA C 132 58.620 58.620 57.568 1.052 25476 12919 1 19 . 1 1 132 132 SER CB C 132 63.310 63.310 62.499 0.811 25476 12920 1 19 . 1 1 132 132 SER H H 132 9.070 9.070 8.217 0.853 25476 12921 1 20 . 1 1 2 2 THR N N 2 118.280 118.280 111.842 6.438 25476 12922 1 20 . 1 1 2 2 THR HA H 2 4.550 4.550 4.736 -0.186 25476 12923 1 20 . 1 1 2 2 THR C C 2 174.150 174.150 174.252 -0.102 25476 12924 1 20 . 1 1 2 2 THR CA C 2 61.600 61.600 60.622 0.978 25476 12925 1 20 . 1 1 2 2 THR CB C 2 69.970 69.970 71.428 -1.458 25476 12926 1 20 . 1 1 2 2 THR H H 2 8.470 8.470 7.830 0.640 25476 12927 1 20 . 1 1 3 3 LEU N N 3 125.130 125.130 121.794 3.336 25476 12928 1 20 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.725 -0.065 25476 12929 1 20 . 1 1 3 3 LEU C C 3 176.690 176.690 177.804 -1.114 25476 12930 1 20 . 1 1 3 3 LEU CA C 3 53.540 53.540 52.908 0.632 25476 12931 1 20 . 1 1 3 3 LEU CB C 3 40.050 40.050 41.237 -1.187 25476 12932 1 20 . 1 1 3 3 LEU H H 3 8.580 8.580 8.297 0.283 25476 12933 1 20 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.366 -0.006 25476 12934 1 20 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.676 0.794 25476 12935 1 20 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.751 0.139 25476 12936 1 20 . 1 1 5 5 SER HA H 5 4.580 4.580 4.358 0.222 25476 12937 1 20 . 1 1 5 5 SER C C 5 175.510 175.510 175.537 -0.027 25476 12938 1 20 . 1 1 5 5 SER CA C 5 59.410 59.410 58.770 0.640 25476 12939 1 20 . 1 1 5 5 SER CB C 5 63.110 63.110 63.267 -0.157 25476 12940 1 20 . 1 1 6 6 GLY N N 6 112.010 112.010 109.365 2.645 25476 12941 1 20 . 1 1 6 6 GLY C C 6 173.300 173.300 174.800 -1.500 25476 12942 1 20 . 1 1 6 6 GLY CA C 6 44.530 44.530 44.975 -0.445 25476 12943 1 20 . 1 1 6 6 GLY H H 6 8.620 8.620 7.664 0.956 25476 12944 1 20 . 1 1 7 7 HIS N N 7 119.440 119.440 121.483 -2.043 25476 12945 1 20 . 1 1 7 7 HIS HA H 7 4.680 4.680 5.009 -0.329 25476 12946 1 20 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.466 2.874 25476 12947 1 20 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.244 0.786 25476 12948 1 20 . 1 1 7 7 HIS H H 7 7.170 7.170 7.812 -0.642 25476 12949 1 20 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.589 0.201 25476 12950 1 20 . 1 1 8 8 PRO C C 8 178.140 178.140 176.951 1.189 25476 12951 1 20 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.189 -0.339 25476 12952 1 20 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.947 -0.967 25476 12953 1 20 . 1 1 9 9 LYS N N 9 127.570 127.570 126.456 1.114 25476 12954 1 20 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.261 -0.091 25476 12955 1 20 . 1 1 9 9 LYS C C 9 178.050 178.050 178.511 -0.461 25476 12956 1 20 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.228 0.602 25476 12957 1 20 . 1 1 9 9 LYS H H 9 9.000 9.000 8.429 0.571 25476 12958 1 20 . 1 1 10 10 SER N N 10 113.610 113.610 114.581 -0.971 25476 12959 1 20 . 1 1 10 10 SER HA H 10 4.120 4.120 4.131 -0.011 25476 12960 1 20 . 1 1 10 10 SER C C 10 176.750 176.750 176.472 0.278 25476 12961 1 20 . 1 1 10 10 SER CA C 10 61.050 61.050 62.042 -0.992 25476 12962 1 20 . 1 1 10 10 SER H H 10 9.170 9.170 8.221 0.949 25476 12963 1 20 . 1 1 11 11 ARG N N 11 122.220 122.220 122.660 -0.440 25476 12964 1 20 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.120 0.030 25476 12965 1 20 . 1 1 11 11 ARG C C 11 177.890 177.890 178.296 -0.406 25476 12966 1 20 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.791 -0.511 25476 12967 1 20 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.622 0.388 25476 12968 1 20 . 1 1 11 11 ARG H H 11 7.100 7.100 7.982 -0.882 25476 12969 1 20 . 1 1 12 12 LEU N N 12 121.360 121.360 120.993 0.367 25476 12970 1 20 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.694 -0.124 25476 12971 1 20 . 1 1 12 12 LEU C C 12 177.890 177.890 178.651 -0.761 25476 12972 1 20 . 1 1 12 12 LEU CA C 12 56.000 56.000 57.878 -1.878 25476 12973 1 20 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.022 -1.582 25476 12974 1 20 . 1 1 12 12 LEU H H 12 7.220 7.220 7.827 -0.607 25476 12975 1 20 . 1 1 13 13 ILE N N 13 118.920 118.920 119.588 -0.668 25476 12976 1 20 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.834 -0.064 25476 12977 1 20 . 1 1 13 13 ILE C C 13 179.060 179.060 178.315 0.745 25476 12978 1 20 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.545 0.585 25476 12979 1 20 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.870 -0.439 25476 12980 1 20 . 1 1 13 13 ILE H H 13 8.590 8.590 8.317 0.273 25476 12981 1 20 . 1 1 14 14 LYS N N 14 121.950 121.950 117.936 4.014 25476 12982 1 20 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.102 0.028 25476 12983 1 20 . 1 1 14 14 LYS C C 14 179.810 179.810 178.964 0.846 25476 12984 1 20 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.351 1.709 25476 12985 1 20 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.345 -0.265 25476 12986 1 20 . 1 1 14 14 LYS H H 14 7.730 7.730 7.647 0.083 25476 12987 1 20 . 1 1 15 15 LYS N N 15 119.750 119.750 119.377 0.373 25476 12988 1 20 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.962 0.158 25476 12989 1 20 . 1 1 15 15 LYS C C 15 179.700 179.700 179.469 0.231 25476 12990 1 20 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.175 -0.445 25476 12991 1 20 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.325 -0.375 25476 12992 1 20 . 1 1 15 15 LYS H H 15 7.800 7.800 7.875 -0.075 25476 12993 1 20 . 1 1 16 16 PHE N N 16 117.660 117.660 118.540 -0.880 25476 12994 1 20 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.266 0.494 25476 12995 1 20 . 1 1 16 16 PHE C C 16 180.960 180.960 177.987 2.973 25476 12996 1 20 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.046 -3.406 25476 12997 1 20 . 1 1 16 16 PHE CB C 16 38.800 38.800 37.989 0.811 25476 12998 1 20 . 1 1 16 16 PHE H H 16 9.130 9.130 8.479 0.651 25476 12999 1 20 . 1 1 17 17 THR N N 17 120.130 120.130 116.371 3.759 25476 13000 1 20 . 1 1 17 17 THR HA H 17 4.370 4.370 3.909 0.461 25476 13001 1 20 . 1 1 17 17 THR C C 17 175.550 175.550 176.042 -0.492 25476 13002 1 20 . 1 1 17 17 THR CA C 17 66.840 66.840 65.726 1.114 25476 13003 1 20 . 1 1 17 17 THR CB C 17 68.920 68.920 68.121 0.799 25476 13004 1 20 . 1 1 17 17 THR H H 17 8.940 8.940 7.707 1.233 25476 13005 1 20 . 1 1 18 18 ALA N N 18 122.170 122.170 122.455 -0.285 25476 13006 1 20 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.236 0.144 25476 13007 1 20 . 1 1 18 18 ALA C C 18 178.110 178.110 177.650 0.460 25476 13008 1 20 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.137 0.253 25476 13009 1 20 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.508 -0.208 25476 13010 1 20 . 1 1 18 18 ALA H H 18 7.310 7.310 7.599 -0.289 25476 13011 1 20 . 1 1 19 19 LEU N N 19 116.080 116.080 117.177 -1.097 25476 13012 1 20 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.305 0.065 25476 13013 1 20 . 1 1 19 19 LEU C C 19 176.620 176.620 175.965 0.655 25476 13014 1 20 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.137 2.493 25476 13015 1 20 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.216 0.204 25476 13016 1 20 . 1 1 19 19 LEU H H 19 7.580 7.580 7.610 -0.030 25476 13017 1 20 . 1 1 20 20 GLY N N 20 103.280 103.280 106.250 -2.970 25476 13018 1 20 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.611 -0.551 25476 13019 1 20 . 1 1 20 20 GLY H H 20 7.650 7.650 7.175 0.475 25476 13020 1 20 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.239 0.631 25476 13021 1 20 . 1 1 21 21 PRO C C 21 174.850 174.850 176.182 -1.332 25476 13022 1 20 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.256 0.884 25476 13023 1 20 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.347 -3.447 25476 13024 1 20 . 1 1 22 22 TYR N N 22 120.690 120.690 116.898 3.792 25476 13025 1 20 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.215 0.965 25476 13026 1 20 . 1 1 22 22 TYR C C 22 176.340 176.340 176.450 -0.110 25476 13027 1 20 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.093 -1.312 25476 13028 1 20 . 1 1 22 22 TYR CB C 22 41.500 41.500 37.735 3.765 25476 13029 1 20 . 1 1 22 22 TYR H H 22 7.680 7.680 8.039 -0.359 25476 13030 1 20 . 1 1 23 23 ILE N N 23 119.130 119.130 124.644 -5.514 25476 13031 1 20 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.022 0.098 25476 13032 1 20 . 1 1 23 23 ILE C C 23 174.210 174.210 176.286 -2.076 25476 13033 1 20 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.026 0.804 25476 13034 1 20 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.264 0.236 25476 13035 1 20 . 1 1 23 23 ILE H H 23 8.860 8.860 8.241 0.619 25476 13036 1 20 . 1 1 24 24 ARG N N 24 126.540 126.540 126.561 -0.021 25476 13037 1 20 . 1 1 24 24 ARG C C 24 177.290 177.290 176.534 0.756 25476 13038 1 20 . 1 1 24 24 ARG CA C 24 52.090 52.090 56.197 -4.107 25476 13039 1 20 . 1 1 24 24 ARG H H 24 8.100 8.100 8.648 -0.548 25476 13040 1 20 . 1 1 25 25 GLU N N 25 126.990 126.990 123.417 3.573 25476 13041 1 20 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.173 -0.073 25476 13042 1 20 . 1 1 25 25 GLU C C 25 176.780 176.780 177.012 -0.232 25476 13043 1 20 . 1 1 25 25 GLU CA C 25 60.860 60.860 57.753 3.107 25476 13044 1 20 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.076 -0.426 25476 13045 1 20 . 1 1 25 25 GLU H H 25 9.400 9.400 8.758 0.642 25476 13046 1 20 . 1 1 26 26 GLY N N 26 109.830 109.830 106.193 3.637 25476 13047 1 20 . 1 1 26 26 GLY C C 26 174.380 174.380 173.563 0.817 25476 13048 1 20 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.507 1.013 25476 13049 1 20 . 1 1 26 26 GLY H H 26 8.070 8.070 7.781 0.289 25476 13050 1 20 . 1 1 27 27 GLN N N 27 117.670 117.670 118.190 -0.520 25476 13051 1 20 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.583 -0.273 25476 13052 1 20 . 1 1 27 27 GLN C C 27 175.350 175.350 176.436 -1.086 25476 13053 1 20 . 1 1 27 27 GLN CA C 27 55.320 55.320 56.281 -0.961 25476 13054 1 20 . 1 1 27 27 GLN CB C 27 29.340 29.340 29.842 -0.502 25476 13055 1 20 . 1 1 27 27 GLN H H 27 7.690 7.690 8.723 -1.033 25476 13056 1 20 . 1 1 28 28 CYS N N 28 119.770 119.770 121.997 -2.227 25476 13057 1 20 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.543 -0.003 25476 13058 1 20 . 1 1 28 28 CYS C C 28 173.480 173.480 174.968 -1.488 25476 13059 1 20 . 1 1 28 28 CYS CA C 28 58.810 58.810 59.770 -0.960 25476 13060 1 20 . 1 1 28 28 CYS CB C 28 27.070 27.070 28.536 -1.466 25476 13061 1 20 . 1 1 28 28 CYS H H 28 7.510 7.510 8.068 -0.558 25476 13062 1 20 . 1 1 29 29 GLU N N 29 124.370 124.370 122.410 1.960 25476 13063 1 20 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.451 0.089 25476 13064 1 20 . 1 1 29 29 GLU C C 29 174.810 174.810 175.210 -0.400 25476 13065 1 20 . 1 1 29 29 GLU CA C 29 55.560 55.560 55.826 -0.266 25476 13066 1 20 . 1 1 29 29 GLU CB C 29 30.030 30.030 31.280 -1.250 25476 13067 1 20 . 1 1 29 29 GLU H H 29 7.840 7.840 8.604 -0.764 25476 13068 1 20 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.751 -0.171 25476 13069 1 20 . 1 1 31 31 ASN CA C 31 53.450 53.450 51.715 1.735 25476 13070 1 20 . 1 1 31 31 ASN CB C 31 39.200 39.200 40.751 -1.550 25476 13071 1 20 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.370 1.140 25476 13072 1 20 . 1 1 32 32 ARG CA C 32 55.050 55.050 55.156 -0.106 25476 13073 1 20 . 1 1 32 32 ARG CB C 32 33.480 33.480 31.032 2.448 25476 13074 1 20 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.935 0.305 25476 13075 1 20 . 1 1 34 34 PHE C C 34 172.210 172.210 173.237 -1.027 25476 13076 1 20 . 1 1 34 34 PHE CA C 34 57.690 57.690 56.114 1.576 25476 13077 1 20 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.604 2.496 25476 13078 1 20 . 1 1 35 35 PHE N N 35 125.800 125.800 119.764 6.036 25476 13079 1 20 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.806 0.364 25476 13080 1 20 . 1 1 35 35 PHE C C 35 173.110 173.110 174.586 -1.476 25476 13081 1 20 . 1 1 35 35 PHE CA C 35 54.860 54.860 55.204 -0.344 25476 13082 1 20 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.241 1.009 25476 13083 1 20 . 1 1 35 35 PHE H H 35 8.660 8.660 7.891 0.769 25476 13084 1 20 . 1 1 36 36 ASP N N 36 120.960 120.960 119.572 1.388 25476 13085 1 20 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.686 -0.106 25476 13086 1 20 . 1 1 36 36 ASP CA C 36 54.160 54.160 53.239 0.921 25476 13087 1 20 . 1 1 36 36 ASP CB C 36 41.030 41.030 40.883 0.147 25476 13088 1 20 . 1 1 36 36 ASP H H 36 9.370 9.370 8.627 0.743 25476 13089 1 20 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.751 -0.761 25476 13090 1 20 . 1 1 37 37 CYS C C 37 173.460 173.460 174.329 -0.869 25476 13091 1 20 . 1 1 37 37 CYS CA C 37 57.610 57.610 58.111 -0.501 25476 13092 1 20 . 1 1 37 37 CYS CB C 37 27.170 27.170 27.114 0.056 25476 13093 1 20 . 1 1 38 38 LEU N N 38 131.890 131.890 123.772 8.118 25476 13094 1 20 . 1 1 38 38 LEU HA H 38 4.210 4.210 5.253 -1.043 25476 13095 1 20 . 1 1 38 38 LEU C C 38 175.570 175.570 177.234 -1.664 25476 13096 1 20 . 1 1 38 38 LEU CA C 38 53.530 53.530 55.096 -1.566 25476 13097 1 20 . 1 1 38 38 LEU CB C 38 37.270 37.270 42.401 -5.131 25476 13098 1 20 . 1 1 38 38 LEU H H 38 8.430 8.430 8.428 0.002 25476 13099 1 20 . 1 1 39 39 ALA N N 39 127.100 127.100 128.756 -1.656 25476 13100 1 20 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.655 -0.315 25476 13101 1 20 . 1 1 39 39 ALA C C 39 178.500 178.500 176.939 1.561 25476 13102 1 20 . 1 1 39 39 ALA CA C 39 55.380 55.380 52.954 2.426 25476 13103 1 20 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.933 0.177 25476 13104 1 20 . 1 1 39 39 ALA H H 39 7.960 7.960 8.699 -0.739 25476 13105 1 20 . 1 1 40 40 VAL N N 40 116.260 116.260 117.891 -1.631 25476 13106 1 20 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.680 -0.060 25476 13107 1 20 . 1 1 40 40 VAL C C 40 173.990 173.990 174.589 -0.599 25476 13108 1 20 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.430 0.510 25476 13109 1 20 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.637 0.843 25476 13110 1 20 . 1 1 40 40 VAL H H 40 8.590 8.590 8.097 0.493 25476 13111 1 20 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.831 -0.951 25476 13112 1 20 . 1 1 41 41 CYS C C 41 174.640 174.640 175.870 -1.230 25476 13113 1 20 . 1 1 41 41 CYS CA C 41 59.280 59.280 57.501 1.779 25476 13114 1 20 . 1 1 41 41 CYS CB C 41 26.700 26.700 29.734 -3.034 25476 13115 1 20 . 1 1 42 42 VAL N N 42 131.320 131.320 116.926 14.394 25476 13116 1 20 . 1 1 42 42 VAL HA H 42 3.480 3.480 4.157 -0.677 25476 13117 1 20 . 1 1 42 42 VAL C C 42 176.270 176.270 176.183 0.087 25476 13118 1 20 . 1 1 42 42 VAL CA C 42 65.390 65.390 63.738 1.652 25476 13119 1 20 . 1 1 42 42 VAL CB C 42 31.840 31.840 32.344 -0.504 25476 13120 1 20 . 1 1 42 42 VAL H H 42 8.610 8.610 8.327 0.283 25476 13121 1 20 . 1 1 43 43 ASN N N 43 116.070 116.070 114.858 1.212 25476 13122 1 20 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.818 -0.028 25476 13123 1 20 . 1 1 43 43 ASN C C 43 175.160 175.160 173.089 2.071 25476 13124 1 20 . 1 1 43 43 ASN CA C 43 52.690 52.690 53.228 -0.538 25476 13125 1 20 . 1 1 43 43 ASN CB C 43 39.940 39.940 41.319 -1.379 25476 13126 1 20 . 1 1 43 43 ASN H H 43 7.280 7.280 7.705 -0.425 25476 13127 1 20 . 1 1 44 44 VAL N N 44 121.350 121.350 120.248 1.102 25476 13128 1 20 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.411 -0.291 25476 13129 1 20 . 1 1 44 44 VAL C C 44 175.460 175.460 176.556 -1.096 25476 13130 1 20 . 1 1 44 44 VAL CA C 44 61.930 61.930 61.122 0.808 25476 13131 1 20 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.590 -0.960 25476 13132 1 20 . 1 1 44 44 VAL H H 44 8.520 8.520 8.598 -0.078 25476 13133 1 20 . 1 1 45 45 LYS N N 45 123.190 123.190 120.907 2.283 25476 13134 1 20 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.204 0.006 25476 13135 1 20 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.895 0.186 25476 13136 1 20 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.847 -0.347 25476 13137 1 20 . 1 1 45 45 LYS H H 45 8.100 8.100 7.897 0.203 25476 13138 1 20 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.430 -0.060 25476 13139 1 20 . 1 1 46 46 PRO C C 46 174.380 174.380 175.761 -1.381 25476 13140 1 20 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.547 0.513 25476 13141 1 20 . 1 1 46 46 PRO CB C 46 31.660 31.660 31.945 -0.285 25476 13142 1 20 . 1 1 47 47 ALA N N 47 124.500 124.500 121.941 2.559 25476 13143 1 20 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.245 0.225 25476 13144 1 20 . 1 1 47 47 ALA C C 47 176.130 176.130 177.280 -1.150 25476 13145 1 20 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.829 -1.089 25476 13146 1 20 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.270 -0.970 25476 13147 1 20 . 1 1 47 47 ALA H H 47 8.300 8.300 8.318 -0.018 25476 13148 1 20 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.301 -0.491 25476 13149 1 20 . 1 1 48 48 PRO C C 48 178.270 178.270 178.083 0.187 25476 13150 1 20 . 1 1 48 48 PRO CA C 48 66.150 66.150 65.075 1.075 25476 13151 1 20 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.175 -0.185 25476 13152 1 20 . 1 1 49 49 GLU N N 49 116.300 116.300 117.009 -0.709 25476 13153 1 20 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.249 0.041 25476 13154 1 20 . 1 1 49 49 GLU C C 49 176.550 176.550 177.075 -0.525 25476 13155 1 20 . 1 1 49 49 GLU CA C 49 58.120 58.120 57.907 0.213 25476 13156 1 20 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.974 -0.684 25476 13157 1 20 . 1 1 49 49 GLU H H 49 9.390 9.390 8.755 0.635 25476 13158 1 20 . 1 1 50 50 LYS N N 50 120.030 120.030 118.699 1.331 25476 13159 1 20 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.373 0.087 25476 13160 1 20 . 1 1 50 50 LYS C C 50 175.070 175.070 175.346 -0.276 25476 13161 1 20 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.780 -1.110 25476 13162 1 20 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.923 0.247 25476 13163 1 20 . 1 1 50 50 LYS H H 50 8.350 8.350 7.883 0.467 25476 13164 1 20 . 1 1 51 51 ARG N N 51 119.720 119.720 119.687 0.033 25476 13165 1 20 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.492 -0.192 25476 13166 1 20 . 1 1 51 51 ARG C C 51 174.530 174.530 175.014 -0.484 25476 13167 1 20 . 1 1 51 51 ARG CA C 51 56.690 56.690 55.064 1.626 25476 13168 1 20 . 1 1 51 51 ARG CB C 51 32.000 32.000 32.044 -0.044 25476 13169 1 20 . 1 1 51 51 ARG H H 51 7.220 7.220 7.411 -0.191 25476 13170 1 20 . 1 1 52 52 GLU N N 52 119.700 119.700 119.152 0.548 25476 13171 1 20 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.291 0.399 25476 13172 1 20 . 1 1 52 52 GLU C C 52 175.260 175.260 175.220 0.040 25476 13173 1 20 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.571 0.160 25476 13174 1 20 . 1 1 52 52 GLU H H 52 8.690 8.690 8.337 0.353 25476 13175 1 20 . 1 1 53 53 PHE N N 53 116.950 116.950 115.551 1.399 25476 13176 1 20 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.810 0.350 25476 13177 1 20 . 1 1 53 53 PHE C C 53 174.970 174.970 173.802 1.168 25476 13178 1 20 . 1 1 53 53 PHE CA C 53 56.960 56.960 56.266 0.694 25476 13179 1 20 . 1 1 53 53 PHE CB C 53 44.210 44.210 41.211 2.999 25476 13180 1 20 . 1 1 53 53 PHE H H 53 8.590 8.590 7.133 1.457 25476 13181 1 20 . 1 1 54 54 TRP N N 54 123.100 123.100 120.254 2.846 25476 13182 1 20 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.744 1.156 25476 13183 1 20 . 1 1 54 54 TRP C C 54 177.820 177.820 176.417 1.403 25476 13184 1 20 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.700 -1.460 25476 13185 1 20 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.894 0.976 25476 13186 1 20 . 1 1 54 54 TRP H H 54 9.520 9.520 9.006 0.514 25476 13187 1 20 . 1 1 55 55 GLY N N 55 110.840 110.840 106.988 3.852 25476 13188 1 20 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.133 2.107 25476 13189 1 20 . 1 1 55 55 GLY H H 55 9.550 9.550 8.308 1.242 25476 13190 1 20 . 1 1 57 57 TRP HA H 57 5.210 5.210 5.081 0.129 25476 13191 1 20 . 1 1 57 57 TRP CA C 57 57.700 57.700 55.332 2.368 25476 13192 1 20 . 1 1 58 58 MET N N 58 122.630 122.630 121.298 1.332 25476 13193 1 20 . 1 1 58 58 MET HA H 58 4.370 4.370 4.666 -0.296 25476 13194 1 20 . 1 1 58 58 MET CA C 58 55.230 55.230 54.067 1.163 25476 13195 1 20 . 1 1 58 58 MET CB C 58 35.910 35.910 34.993 0.917 25476 13196 1 20 . 1 1 58 58 MET H H 58 9.680 9.680 8.435 1.245 25476 13197 1 20 . 1 1 59 59 GLU HA H 59 5.430 5.430 5.235 0.195 25476 13198 1 20 . 1 1 59 59 GLU C C 59 175.570 175.570 174.568 1.002 25476 13199 1 20 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.080 0.180 25476 13200 1 20 . 1 1 60 60 LEU N N 60 126.920 126.920 119.132 7.788 25476 13201 1 20 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.854 1.206 25476 13202 1 20 . 1 1 60 60 LEU C C 60 176.470 176.470 174.784 1.686 25476 13203 1 20 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.349 -0.739 25476 13204 1 20 . 1 1 60 60 LEU CB C 60 47.480 47.480 44.760 2.720 25476 13205 1 20 . 1 1 60 60 LEU H H 60 9.610 9.610 8.401 1.209 25476 13206 1 20 . 1 1 61 61 GLU N N 61 123.560 123.560 118.990 4.570 25476 13207 1 20 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.456 0.724 25476 13208 1 20 . 1 1 61 61 GLU C C 61 174.930 174.930 174.893 0.037 25476 13209 1 20 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.607 0.443 25476 13210 1 20 . 1 1 61 61 GLU CB C 61 32.200 32.200 32.971 -0.771 25476 13211 1 20 . 1 1 61 61 GLU H H 61 9.070 9.070 7.864 1.206 25476 13212 1 20 . 1 1 62 62 ALA N N 62 129.830 129.830 129.111 0.719 25476 13213 1 20 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.146 -0.026 25476 13214 1 20 . 1 1 62 62 ALA C C 62 175.760 175.760 177.184 -1.424 25476 13215 1 20 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.375 0.305 25476 13216 1 20 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.610 2.720 25476 13217 1 20 . 1 1 62 62 ALA H H 62 9.030 9.030 8.344 0.686 25476 13218 1 20 . 1 1 63 63 GLN N N 63 122.550 122.550 123.800 -1.250 25476 13219 1 20 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.243 0.507 25476 13220 1 20 . 1 1 63 63 GLN C C 63 175.470 175.470 177.462 -1.992 25476 13221 1 20 . 1 1 63 63 GLN CA C 63 53.940 53.940 55.406 -1.466 25476 13222 1 20 . 1 1 63 63 GLN CB C 63 29.650 29.650 29.540 0.110 25476 13223 1 20 . 1 1 63 63 GLN H H 63 8.170 8.170 7.964 0.206 25476 13224 1 20 . 1 1 64 64 GLU N N 64 120.760 120.760 120.420 0.340 25476 13225 1 20 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.088 -0.538 25476 13226 1 20 . 1 1 64 64 GLU C C 64 176.740 176.740 176.767 -0.027 25476 13227 1 20 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.333 2.007 25476 13228 1 20 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.941 -0.321 25476 13229 1 20 . 1 1 64 64 GLU H H 64 8.730 8.730 8.667 0.063 25476 13230 1 20 . 1 1 65 65 LYS N N 65 112.820 112.820 117.292 -4.472 25476 13231 1 20 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.479 0.151 25476 13232 1 20 . 1 1 65 65 LYS C C 65 175.960 175.960 175.075 0.885 25476 13233 1 20 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.332 -0.542 25476 13234 1 20 . 1 1 65 65 LYS CB C 65 33.300 33.300 31.841 1.459 25476 13235 1 20 . 1 1 65 65 LYS H H 65 8.750 8.750 8.202 0.548 25476 13236 1 20 . 1 1 66 66 ARG N N 66 115.100 115.100 115.770 -0.670 25476 13237 1 20 . 1 1 66 66 ARG HA H 66 5.300 5.300 5.089 0.211 25476 13238 1 20 . 1 1 66 66 ARG C C 66 172.980 172.980 174.007 -1.027 25476 13239 1 20 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.648 -2.118 25476 13240 1 20 . 1 1 66 66 ARG CB C 66 33.000 33.000 32.370 0.630 25476 13241 1 20 . 1 1 66 66 ARG H H 66 7.520 7.520 7.329 0.191 25476 13242 1 20 . 1 1 67 67 PHE N N 67 119.960 119.960 117.398 2.562 25476 13243 1 20 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.974 0.766 25476 13244 1 20 . 1 1 67 67 PHE C C 67 176.040 176.040 174.667 1.373 25476 13245 1 20 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.012 -0.892 25476 13246 1 20 . 1 1 67 67 PHE CB C 67 41.950 41.950 44.173 -2.223 25476 13247 1 20 . 1 1 67 67 PHE H H 67 9.220 9.220 9.108 0.112 25476 13248 1 20 . 1 1 68 68 THR N N 68 111.030 111.030 116.284 -5.254 25476 13249 1 20 . 1 1 68 68 THR HA H 68 6.310 6.310 4.825 1.485 25476 13250 1 20 . 1 1 68 68 THR C C 68 175.340 175.340 172.480 2.860 25476 13251 1 20 . 1 1 68 68 THR CA C 68 57.990 57.990 60.944 -2.954 25476 13252 1 20 . 1 1 68 68 THR CB C 68 70.260 70.260 70.816 -0.556 25476 13253 1 20 . 1 1 68 68 THR H H 68 9.200 9.200 8.049 1.151 25476 13254 1 20 . 1 1 69 69 TYR N N 69 115.700 115.700 124.360 -8.660 25476 13255 1 20 . 1 1 69 69 TYR HA H 69 6.090 6.090 5.064 1.026 25476 13256 1 20 . 1 1 69 69 TYR C C 69 173.310 173.310 174.199 -0.889 25476 13257 1 20 . 1 1 69 69 TYR CA C 69 55.500 55.500 57.290 -1.790 25476 13258 1 20 . 1 1 69 69 TYR CB C 69 44.600 44.600 42.156 2.445 25476 13259 1 20 . 1 1 69 69 TYR H H 69 8.190 8.190 8.739 -0.549 25476 13260 1 20 . 1 1 70 70 ARG N N 70 115.070 115.070 118.008 -2.938 25476 13261 1 20 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.741 0.769 25476 13262 1 20 . 1 1 70 70 ARG C C 70 175.220 175.220 174.789 0.431 25476 13263 1 20 . 1 1 70 70 ARG CA C 70 55.150 55.150 55.007 0.143 25476 13264 1 20 . 1 1 70 70 ARG CB C 70 32.780 32.780 34.568 -1.788 25476 13265 1 20 . 1 1 70 70 ARG H H 70 8.160 8.160 8.764 -0.604 25476 13266 1 20 . 1 1 71 71 TYR N N 71 118.750 118.750 119.870 -1.120 25476 13267 1 20 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.830 -0.710 25476 13268 1 20 . 1 1 71 71 TYR H H 71 9.220 9.220 8.103 1.117 25476 13269 1 20 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.593 -0.173 25476 13270 1 20 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.426 0.423 25476 13271 1 20 . 1 1 72 72 GLN CB C 72 30.990 30.990 32.509 -1.519 25476 13272 1 20 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.678 1.152 25476 13273 1 20 . 1 1 73 73 PHE C C 73 177.280 177.280 176.395 0.885 25476 13274 1 20 . 1 1 73 73 PHE CA C 73 53.680 53.680 58.017 -4.337 25476 13275 1 20 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.051 -0.251 25476 13276 1 20 . 1 1 74 74 GLY N N 74 108.520 108.520 107.865 0.655 25476 13277 1 20 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.670 1.810 25476 13278 1 20 . 1 1 74 74 GLY H H 74 9.350 9.350 8.250 1.100 25476 13279 1 20 . 1 1 75 75 LEU HA H 75 5.370 5.370 4.739 0.631 25476 13280 1 20 . 1 1 75 75 LEU C C 75 174.270 174.270 173.935 0.335 25476 13281 1 20 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.409 -0.619 25476 13282 1 20 . 1 1 75 75 LEU CB C 75 46.860 46.860 45.788 1.072 25476 13283 1 20 . 1 1 76 76 PHE N N 76 135.230 135.230 121.530 13.700 25476 13284 1 20 . 1 1 76 76 PHE HA H 76 4.340 4.340 4.769 -0.429 25476 13285 1 20 . 1 1 76 76 PHE C C 76 174.690 174.690 174.767 -0.077 25476 13286 1 20 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.918 -0.018 25476 13287 1 20 . 1 1 76 76 PHE H H 76 9.840 9.840 7.785 2.055 25476 13288 1 20 . 1 1 77 77 ASP N N 77 125.580 125.580 123.621 1.959 25476 13289 1 20 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.630 -0.300 25476 13290 1 20 . 1 1 77 77 ASP C C 77 178.310 178.310 176.558 1.752 25476 13291 1 20 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.536 0.214 25476 13292 1 20 . 1 1 77 77 ASP CB C 77 42.460 42.460 44.511 -2.051 25476 13293 1 20 . 1 1 77 77 ASP H H 77 7.940 7.940 8.653 -0.713 25476 13294 1 20 . 1 1 78 78 LYS N N 78 116.610 116.610 119.522 -2.912 25476 13295 1 20 . 1 1 78 78 LYS HA H 78 4.090 4.090 4.155 -0.065 25476 13296 1 20 . 1 1 78 78 LYS C C 78 176.910 176.910 177.412 -0.502 25476 13297 1 20 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.400 -0.820 25476 13298 1 20 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.289 -1.259 25476 13299 1 20 . 1 1 78 78 LYS H H 78 9.030 9.030 8.521 0.509 25476 13300 1 20 . 1 1 79 79 GLU N N 79 120.510 120.510 119.233 1.277 25476 13301 1 20 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.237 0.023 25476 13302 1 20 . 1 1 79 79 GLU C C 79 176.160 176.160 176.746 -0.586 25476 13303 1 20 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.099 -0.769 25476 13304 1 20 . 1 1 79 79 GLU CB C 79 29.420 29.420 28.775 0.645 25476 13305 1 20 . 1 1 79 79 GLU H H 79 7.850 7.850 8.234 -0.384 25476 13306 1 20 . 1 1 80 80 GLY N N 80 109.610 109.610 106.959 2.651 25476 13307 1 20 . 1 1 80 80 GLY C C 80 172.820 172.820 174.107 -1.287 25476 13308 1 20 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.436 -0.056 25476 13309 1 20 . 1 1 80 80 GLY H H 80 7.800 7.800 7.713 0.087 25476 13310 1 20 . 1 1 81 81 ASN N N 81 117.680 117.680 117.582 0.098 25476 13311 1 20 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.508 0.202 25476 13312 1 20 . 1 1 81 81 ASN C C 81 174.110 174.110 175.205 -1.095 25476 13313 1 20 . 1 1 81 81 ASN CA C 81 51.160 51.160 51.582 -0.422 25476 13314 1 20 . 1 1 81 81 ASN CB C 81 40.160 40.160 39.892 0.268 25476 13315 1 20 . 1 1 81 81 ASN H H 81 7.560 7.560 7.786 -0.226 25476 13316 1 20 . 1 1 82 82 TRP N N 82 122.870 122.870 123.782 -0.912 25476 13317 1 20 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.405 0.745 25476 13318 1 20 . 1 1 82 82 TRP C C 82 177.480 177.480 175.992 1.488 25476 13319 1 20 . 1 1 82 82 TRP CA C 82 57.260 57.260 57.214 0.046 25476 13320 1 20 . 1 1 82 82 TRP H H 82 8.480 8.480 7.930 0.550 25476 13321 1 20 . 1 1 83 83 THR N N 83 118.050 118.050 122.914 -4.864 25476 13322 1 20 . 1 1 83 83 THR HA H 83 4.820 4.820 4.665 0.155 25476 13323 1 20 . 1 1 83 83 THR C C 83 173.630 173.630 173.410 0.220 25476 13324 1 20 . 1 1 83 83 THR CA C 83 60.470 60.470 61.819 -1.349 25476 13325 1 20 . 1 1 83 83 THR CB C 83 72.050 72.050 70.209 1.841 25476 13326 1 20 . 1 1 83 83 THR H H 83 9.280 9.280 8.726 0.554 25476 13327 1 20 . 1 1 84 84 VAL N N 84 125.990 125.990 123.286 2.704 25476 13328 1 20 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.530 -0.000 25476 13329 1 20 . 1 1 84 84 VAL C C 84 175.440 175.440 175.038 0.402 25476 13330 1 20 . 1 1 84 84 VAL CA C 84 64.280 64.280 61.537 2.743 25476 13331 1 20 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.646 -0.016 25476 13332 1 20 . 1 1 84 84 VAL H H 84 9.100 9.100 8.360 0.740 25476 13333 1 20 . 1 1 85 85 VAL N N 85 124.640 124.640 124.342 0.298 25476 13334 1 20 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.793 0.177 25476 13335 1 20 . 1 1 85 85 VAL CA C 85 58.050 58.050 58.622 -0.572 25476 13336 1 20 . 1 1 85 85 VAL CB C 85 35.190 35.190 33.032 2.158 25476 13337 1 20 . 1 1 85 85 VAL H H 85 7.430 7.430 8.231 -0.801 25476 13338 1 20 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.498 -0.018 25476 13339 1 20 . 1 1 86 86 PRO C C 86 175.970 175.970 175.976 -0.006 25476 13340 1 20 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.723 0.197 25476 13341 1 20 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.265 -0.335 25476 13342 1 20 . 1 1 87 87 ILE N N 87 123.980 123.980 121.822 2.158 25476 13343 1 20 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.219 0.701 25476 13344 1 20 . 1 1 87 87 ILE C C 87 175.510 175.510 175.331 0.179 25476 13345 1 20 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.803 0.317 25476 13346 1 20 . 1 1 87 87 ILE CB C 87 37.550 37.550 36.736 0.814 25476 13347 1 20 . 1 1 87 87 ILE H H 87 8.500 8.500 8.012 0.488 25476 13348 1 20 . 1 1 88 88 ASN N N 88 119.050 119.050 125.273 -6.223 25476 13349 1 20 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.636 -0.276 25476 13350 1 20 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.902 -0.692 25476 13351 1 20 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.922 -2.182 25476 13352 1 20 . 1 1 88 88 ASN H H 88 8.390 8.390 8.055 0.335 25476 13353 1 20 . 1 1 90 90 THR HA H 90 3.800 3.800 3.905 -0.105 25476 13354 1 20 . 1 1 90 90 THR C C 90 175.860 175.860 175.664 0.196 25476 13355 1 20 . 1 1 90 90 THR CA C 90 66.300 66.300 66.018 0.282 25476 13356 1 20 . 1 1 90 90 THR CB C 90 68.380 68.380 68.751 -0.371 25476 13357 1 20 . 1 1 91 91 GLU N N 91 120.430 120.430 119.873 0.557 25476 13358 1 20 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.089 0.021 25476 13359 1 20 . 1 1 91 91 GLU C C 91 179.320 179.320 178.945 0.375 25476 13360 1 20 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.112 0.348 25476 13361 1 20 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.900 0.140 25476 13362 1 20 . 1 1 91 91 GLU H H 91 9.440 9.440 8.773 0.667 25476 13363 1 20 . 1 1 92 92 VAL N N 92 119.810 119.810 119.537 0.273 25476 13364 1 20 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.873 -0.253 25476 13365 1 20 . 1 1 92 92 VAL C C 92 177.270 177.270 177.853 -0.583 25476 13366 1 20 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.861 0.089 25476 13367 1 20 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.521 -0.041 25476 13368 1 20 . 1 1 92 92 VAL H H 92 7.010 7.010 7.907 -0.897 25476 13369 1 20 . 1 1 93 93 VAL N N 93 120.570 120.570 121.221 -0.651 25476 13370 1 20 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.710 -0.420 25476 13371 1 20 . 1 1 93 93 VAL C C 93 177.970 177.970 177.745 0.225 25476 13372 1 20 . 1 1 93 93 VAL CA C 93 67.350 67.350 65.893 1.457 25476 13373 1 20 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.532 -0.072 25476 13374 1 20 . 1 1 93 93 VAL H H 93 7.720 7.720 7.317 0.403 25476 13375 1 20 . 1 1 94 94 GLU N N 94 118.100 118.100 118.546 -0.446 25476 13376 1 20 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.151 -0.041 25476 13377 1 20 . 1 1 94 94 GLU C C 94 179.420 179.420 178.786 0.634 25476 13378 1 20 . 1 1 94 94 GLU CA C 94 59.650 59.650 58.979 0.671 25476 13379 1 20 . 1 1 94 94 GLU CB C 94 29.390 29.390 28.933 0.457 25476 13380 1 20 . 1 1 94 94 GLU H H 94 8.320 8.320 8.863 -0.543 25476 13381 1 20 . 1 1 95 95 ARG N N 95 120.330 120.330 120.571 -0.241 25476 13382 1 20 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.220 0.150 25476 13383 1 20 . 1 1 95 95 ARG C C 95 179.510 179.510 178.211 1.299 25476 13384 1 20 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.129 -0.589 25476 13385 1 20 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.752 -0.132 25476 13386 1 20 . 1 1 95 95 ARG H H 95 7.350 7.350 7.433 -0.083 25476 13387 1 20 . 1 1 96 96 LEU N N 96 124.600 124.600 119.607 4.993 25476 13388 1 20 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.291 -0.461 25476 13389 1 20 . 1 1 96 96 LEU C C 96 177.600 177.600 179.275 -1.675 25476 13390 1 20 . 1 1 96 96 LEU CA C 96 59.290 59.290 58.097 1.193 25476 13391 1 20 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.322 -1.722 25476 13392 1 20 . 1 1 96 96 LEU H H 96 8.600 8.600 7.845 0.755 25476 13393 1 20 . 1 1 97 97 GLU N N 97 118.190 118.190 120.240 -2.050 25476 13394 1 20 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.029 -0.289 25476 13395 1 20 . 1 1 97 97 GLU C C 97 177.630 177.630 178.819 -1.189 25476 13396 1 20 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.729 0.711 25476 13397 1 20 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.540 -1.320 25476 13398 1 20 . 1 1 97 97 GLU H H 97 8.540 8.540 8.095 0.445 25476 13399 1 20 . 1 1 98 98 TYR N N 98 119.160 119.160 120.680 -1.520 25476 13400 1 20 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.226 -0.156 25476 13401 1 20 . 1 1 98 98 TYR C C 98 179.010 179.010 177.653 1.357 25476 13402 1 20 . 1 1 98 98 TYR CA C 98 62.120 62.120 62.225 -0.105 25476 13403 1 20 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.562 0.228 25476 13404 1 20 . 1 1 98 98 TYR H H 98 8.380 8.380 7.976 0.404 25476 13405 1 20 . 1 1 99 99 THR N N 99 109.220 109.220 115.266 -6.046 25476 13406 1 20 . 1 1 99 99 THR HA H 99 4.310 4.310 4.161 0.149 25476 13407 1 20 . 1 1 99 99 THR C C 99 178.320 178.320 176.663 1.657 25476 13408 1 20 . 1 1 99 99 THR CA C 99 64.890 64.890 66.525 -1.635 25476 13409 1 20 . 1 1 99 99 THR CB C 99 69.810 69.810 69.030 0.780 25476 13410 1 20 . 1 1 99 99 THR H H 99 8.480 8.480 7.962 0.518 25476 13411 1 20 . 1 1 100 100 LEU N N 100 128.250 128.250 123.866 4.384 25476 13412 1 20 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.219 -0.679 25476 13413 1 20 . 1 1 100 100 LEU C C 100 177.870 177.870 177.885 -0.015 25476 13414 1 20 . 1 1 100 100 LEU CA C 100 58.200 58.200 58.812 -0.612 25476 13415 1 20 . 1 1 100 100 LEU CB C 100 41.460 41.460 41.412 0.048 25476 13416 1 20 . 1 1 100 100 LEU H H 100 8.200 8.200 8.518 -0.318 25476 13417 1 20 . 1 1 101 101 ARG N N 101 118.550 118.550 118.445 0.105 25476 13418 1 20 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.938 -0.328 25476 13419 1 20 . 1 1 101 101 ARG C C 101 178.930 178.930 178.829 0.101 25476 13420 1 20 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.542 0.917 25476 13421 1 20 . 1 1 101 101 ARG CB C 101 29.290 29.290 30.061 -0.771 25476 13422 1 20 . 1 1 101 101 ARG H H 101 8.440 8.440 8.358 0.082 25476 13423 1 20 . 1 1 102 102 GLU N N 102 119.760 119.760 118.705 1.055 25476 13424 1 20 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.138 -0.218 25476 13425 1 20 . 1 1 102 102 GLU C C 102 178.360 178.360 178.769 -0.409 25476 13426 1 20 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.280 0.670 25476 13427 1 20 . 1 1 102 102 GLU CB C 102 30.020 30.020 29.055 0.965 25476 13428 1 20 . 1 1 102 102 GLU H H 102 7.970 7.970 7.714 0.256 25476 13429 1 20 . 1 1 103 103 PHE N N 103 119.570 119.570 121.934 -2.364 25476 13430 1 20 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.159 -0.239 25476 13431 1 20 . 1 1 103 103 PHE C C 103 175.350 175.350 177.330 -1.980 25476 13432 1 20 . 1 1 103 103 PHE CA C 103 60.800 60.800 62.661 -1.861 25476 13433 1 20 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.092 0.448 25476 13434 1 20 . 1 1 103 103 PHE H H 103 7.630 7.630 8.581 -0.951 25476 13435 1 20 . 1 1 104 104 HIS N N 104 119.160 119.160 118.756 0.404 25476 13436 1 20 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.277 -1.247 25476 13437 1 20 . 1 1 104 104 HIS C C 104 175.460 175.460 177.276 -1.816 25476 13438 1 20 . 1 1 104 104 HIS CA C 104 60.710 60.710 59.586 1.124 25476 13439 1 20 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.546 2.184 25476 13440 1 20 . 1 1 104 104 HIS H H 104 8.800 8.800 8.091 0.709 25476 13441 1 20 . 1 1 105 105 GLU N N 105 117.900 117.900 118.556 -0.656 25476 13442 1 20 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.688 -0.248 25476 13443 1 20 . 1 1 105 105 GLU C C 105 177.990 177.990 178.526 -0.536 25476 13444 1 20 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.092 0.519 25476 13445 1 20 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.298 0.002 25476 13446 1 20 . 1 1 105 105 GLU H H 105 7.890 7.890 7.663 0.227 25476 13447 1 20 . 1 1 106 106 LYS N N 106 117.260 117.260 120.481 -3.221 25476 13448 1 20 . 1 1 106 106 LYS HA H 106 3.970 3.970 3.966 0.004 25476 13449 1 20 . 1 1 106 106 LYS C C 106 179.570 179.570 178.940 0.630 25476 13450 1 20 . 1 1 106 106 LYS CA C 106 58.710 58.710 59.097 -0.387 25476 13451 1 20 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.251 0.529 25476 13452 1 20 . 1 1 106 106 LYS H H 106 6.870 6.870 8.229 -1.359 25476 13453 1 20 . 1 1 107 107 LEU N N 107 123.180 123.180 120.806 2.374 25476 13454 1 20 . 1 1 107 107 LEU HA H 107 3.450 3.450 4.175 -0.725 25476 13455 1 20 . 1 1 107 107 LEU C C 107 177.170 177.170 178.415 -1.245 25476 13456 1 20 . 1 1 107 107 LEU CA C 107 57.340 57.340 56.487 0.853 25476 13457 1 20 . 1 1 107 107 LEU CB C 107 41.240 41.240 41.214 0.026 25476 13458 1 20 . 1 1 107 107 LEU H H 107 8.020 8.020 8.472 -0.452 25476 13459 1 20 . 1 1 108 108 ARG N N 108 120.070 120.070 119.639 0.431 25476 13460 1 20 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.835 -0.425 25476 13461 1 20 . 1 1 108 108 ARG C C 108 178.460 178.460 178.429 0.031 25476 13462 1 20 . 1 1 108 108 ARG CA C 108 59.640 59.640 60.397 -0.757 25476 13463 1 20 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.534 -0.324 25476 13464 1 20 . 1 1 108 108 ARG H H 108 8.680 8.680 7.549 1.131 25476 13465 1 20 . 1 1 109 109 ASP N N 109 119.480 119.480 119.490 -0.010 25476 13466 1 20 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.352 -0.042 25476 13467 1 20 . 1 1 109 109 ASP C C 109 178.900 178.900 178.318 0.582 25476 13468 1 20 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.354 -0.214 25476 13469 1 20 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.798 -0.928 25476 13470 1 20 . 1 1 109 109 ASP H H 109 7.890 7.890 7.481 0.409 25476 13471 1 20 . 1 1 110 110 LEU N N 110 122.740 122.740 121.168 1.572 25476 13472 1 20 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.983 0.117 25476 13473 1 20 . 1 1 110 110 LEU C C 110 179.830 179.830 178.773 1.057 25476 13474 1 20 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.764 -0.083 25476 13475 1 20 . 1 1 110 110 LEU CB C 110 41.290 41.290 42.096 -0.805 25476 13476 1 20 . 1 1 110 110 LEU H H 110 7.650 7.650 7.296 0.354 25476 13477 1 20 . 1 1 111 111 LEU N N 111 122.170 122.170 118.837 3.333 25476 13478 1 20 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.832 -0.002 25476 13479 1 20 . 1 1 111 111 LEU C C 111 179.990 179.990 179.484 0.506 25476 13480 1 20 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.097 0.513 25476 13481 1 20 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.646 -2.266 25476 13482 1 20 . 1 1 111 111 LEU H H 111 8.320 8.320 7.827 0.493 25476 13483 1 20 . 1 1 112 112 ILE N N 112 122.490 122.490 119.324 3.166 25476 13484 1 20 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.624 0.346 25476 13485 1 20 . 1 1 112 112 ILE C C 112 180.930 180.930 178.158 2.772 25476 13486 1 20 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.340 -0.679 25476 13487 1 20 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.909 -0.589 25476 13488 1 20 . 1 1 112 112 ILE H H 112 8.790 8.790 8.411 0.379 25476 13489 1 20 . 1 1 113 113 SER N N 113 119.860 119.860 114.445 5.415 25476 13490 1 20 . 1 1 113 113 SER HA H 113 4.400 4.400 4.245 0.155 25476 13491 1 20 . 1 1 113 113 SER C C 113 174.520 174.520 175.797 -1.277 25476 13492 1 20 . 1 1 113 113 SER CA C 113 61.390 61.390 60.811 0.579 25476 13493 1 20 . 1 1 113 113 SER CB C 113 62.630 62.630 63.385 -0.755 25476 13494 1 20 . 1 1 113 113 SER H H 113 7.720 7.720 7.771 -0.051 25476 13495 1 20 . 1 1 114 114 MET N N 114 121.890 121.890 118.310 3.580 25476 13496 1 20 . 1 1 114 114 MET HA H 114 4.530 4.530 4.436 0.094 25476 13497 1 20 . 1 1 114 114 MET C C 114 173.850 173.850 175.244 -1.394 25476 13498 1 20 . 1 1 114 114 MET CA C 114 55.330 55.330 55.686 -0.356 25476 13499 1 20 . 1 1 114 114 MET CB C 114 34.040 34.040 33.612 0.428 25476 13500 1 20 . 1 1 114 114 MET H H 114 7.480 7.480 7.275 0.205 25476 13501 1 20 . 1 1 115 115 GLU N N 115 114.160 114.160 115.419 -1.259 25476 13502 1 20 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.956 -0.056 25476 13503 1 20 . 1 1 115 115 GLU C C 115 174.880 174.880 175.159 -0.279 25476 13504 1 20 . 1 1 115 115 GLU CA C 115 57.270 57.270 56.977 0.293 25476 13505 1 20 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.092 -0.582 25476 13506 1 20 . 1 1 115 115 GLU H H 115 8.110 8.110 7.897 0.213 25476 13507 1 20 . 1 1 116 116 LEU N N 116 119.870 119.870 120.157 -0.287 25476 13508 1 20 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.496 0.164 25476 13509 1 20 . 1 1 116 116 LEU C C 116 174.910 174.910 176.223 -1.313 25476 13510 1 20 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.355 -0.255 25476 13511 1 20 . 1 1 116 116 LEU CB C 116 45.570 45.570 42.623 2.947 25476 13512 1 20 . 1 1 116 116 LEU H H 116 7.970 7.970 7.854 0.116 25476 13513 1 20 . 1 1 117 117 ALA N N 117 123.730 123.730 128.363 -4.633 25476 13514 1 20 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.381 0.069 25476 13515 1 20 . 1 1 117 117 ALA C C 117 174.870 174.870 175.753 -0.883 25476 13516 1 20 . 1 1 117 117 ALA CA C 117 50.870 50.870 52.666 -1.796 25476 13517 1 20 . 1 1 117 117 ALA CB C 117 20.700 20.700 19.872 0.828 25476 13518 1 20 . 1 1 117 117 ALA H H 117 7.530 7.530 8.663 -1.133 25476 13519 1 20 . 1 1 118 118 LEU N N 118 121.610 121.610 122.871 -1.261 25476 13520 1 20 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.689 -0.209 25476 13521 1 20 . 1 1 118 118 LEU C C 118 175.560 175.560 175.866 -0.306 25476 13522 1 20 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.241 -0.401 25476 13523 1 20 . 1 1 118 118 LEU CB C 118 43.490 43.490 45.698 -2.208 25476 13524 1 20 . 1 1 118 118 LEU H H 118 8.250 8.250 8.338 -0.088 25476 13525 1 20 . 1 1 119 119 GLU N N 119 127.300 127.300 123.322 3.978 25476 13526 1 20 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.876 0.244 25476 13527 1 20 . 1 1 119 119 GLU C C 119 171.510 171.510 174.144 -2.634 25476 13528 1 20 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.486 -0.516 25476 13529 1 20 . 1 1 119 119 GLU CB C 119 32.870 32.870 33.110 -0.240 25476 13530 1 20 . 1 1 119 119 GLU H H 119 8.730 8.730 8.921 -0.191 25476 13531 1 20 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.811 -0.241 25476 13532 1 20 . 1 1 120 120 PRO C C 120 176.420 176.420 176.581 -0.161 25476 13533 1 20 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.980 -1.220 25476 13534 1 20 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.443 -0.053 25476 13535 1 20 . 1 1 121 121 SER N N 121 117.040 117.040 114.724 2.316 25476 13536 1 20 . 1 1 121 121 SER HA H 121 4.060 4.060 4.334 -0.274 25476 13537 1 20 . 1 1 121 121 SER C C 121 175.150 175.150 176.349 -1.199 25476 13538 1 20 . 1 1 121 121 SER CA C 121 59.230 59.230 59.027 0.203 25476 13539 1 20 . 1 1 121 121 SER CB C 121 62.970 62.970 63.890 -0.920 25476 13540 1 20 . 1 1 121 121 SER H H 121 8.690 8.690 8.655 0.035 25476 13541 1 20 . 1 1 122 122 ASP N N 122 124.140 124.140 120.442 3.698 25476 13542 1 20 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.553 -0.183 25476 13543 1 20 . 1 1 122 122 ASP C C 122 176.240 176.240 176.922 -0.682 25476 13544 1 20 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.649 0.451 25476 13545 1 20 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.675 -0.485 25476 13546 1 20 . 1 1 122 122 ASP H H 122 8.830 8.830 8.772 0.058 25476 13547 1 20 . 1 1 123 123 ASP N N 123 115.720 115.720 116.679 -0.959 25476 13548 1 20 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.726 -0.106 25476 13549 1 20 . 1 1 123 123 ASP C C 123 174.850 174.850 174.658 0.192 25476 13550 1 20 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.332 -0.542 25476 13551 1 20 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.645 -0.376 25476 13552 1 20 . 1 1 123 123 ASP H H 123 8.210 8.210 8.171 0.039 25476 13553 1 20 . 1 1 124 124 PHE N N 124 122.440 122.440 119.975 2.465 25476 13554 1 20 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.701 0.329 25476 13555 1 20 . 1 1 124 124 PHE C C 124 174.040 174.040 173.235 0.805 25476 13556 1 20 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.182 -1.142 25476 13557 1 20 . 1 1 124 124 PHE CB C 124 42.170 42.170 41.985 0.185 25476 13558 1 20 . 1 1 124 124 PHE H H 124 8.060 8.060 7.504 0.556 25476 13559 1 20 . 1 1 125 125 ASN N N 125 126.850 126.850 119.923 6.927 25476 13560 1 20 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.685 0.055 25476 13561 1 20 . 1 1 125 125 ASN C C 125 175.070 175.070 173.291 1.779 25476 13562 1 20 . 1 1 125 125 ASN CA C 125 53.430 53.430 51.651 1.779 25476 13563 1 20 . 1 1 125 125 ASN CB C 125 39.730 39.730 40.754 -1.024 25476 13564 1 20 . 1 1 125 125 ASN H H 125 7.700 7.700 7.530 0.170 25476 13565 1 20 . 1 1 126 126 ASP N N 126 120.330 120.330 120.753 -0.423 25476 13566 1 20 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.460 -0.330 25476 13567 1 20 . 1 1 126 126 ASP C C 126 176.280 176.280 175.040 1.240 25476 13568 1 20 . 1 1 126 126 ASP CA C 126 56.030 56.030 55.238 0.792 25476 13569 1 20 . 1 1 126 126 ASP CB C 126 39.100 39.100 39.868 -0.768 25476 13570 1 20 . 1 1 126 126 ASP H H 126 7.300 7.300 8.337 -1.037 25476 13571 1 20 . 1 1 127 127 GLU N N 127 127.840 127.840 121.712 6.128 25476 13572 1 20 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.582 -0.222 25476 13573 1 20 . 1 1 127 127 GLU CA C 127 55.470 55.470 53.555 1.915 25476 13574 1 20 . 1 1 127 127 GLU H H 127 8.320 8.320 7.487 0.833 25476 13575 1 20 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.614 0.056 25476 13576 1 20 . 1 1 128 128 PRO C C 128 176.010 176.010 176.292 -0.282 25476 13577 1 20 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.608 1.022 25476 13578 1 20 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.473 -0.533 25476 13579 1 20 . 1 1 129 129 VAL N N 129 122.940 122.940 121.796 1.144 25476 13580 1 20 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.487 0.503 25476 13581 1 20 . 1 1 129 129 VAL C C 129 173.650 173.650 175.547 -1.897 25476 13582 1 20 . 1 1 129 129 VAL CA C 129 60.980 60.980 63.479 -2.499 25476 13583 1 20 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.186 -0.056 25476 13584 1 20 . 1 1 129 129 VAL H H 129 7.990 7.990 8.447 -0.457 25476 13585 1 20 . 1 1 130 130 LYS N N 130 124.620 124.620 129.967 -5.347 25476 13586 1 20 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.362 0.148 25476 13587 1 20 . 1 1 130 130 LYS C C 130 174.900 174.900 176.298 -1.398 25476 13588 1 20 . 1 1 130 130 LYS CA C 130 53.150 53.150 55.342 -2.192 25476 13589 1 20 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.710 2.800 25476 13590 1 20 . 1 1 130 130 LYS H H 130 8.240 8.240 8.302 -0.062 25476 13591 1 20 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.137 -0.337 25476 13592 1 20 . 1 1 131 131 LEU C C 131 178.400 178.400 178.276 0.124 25476 13593 1 20 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.152 -0.102 25476 13594 1 20 . 1 1 131 131 LEU CB C 131 40.800 40.800 41.621 -0.821 25476 13595 1 20 . 1 1 132 132 SER N N 132 115.550 115.550 115.332 0.218 25476 13596 1 20 . 1 1 132 132 SER HA H 132 4.610 4.610 4.409 0.201 25476 13597 1 20 . 1 1 132 132 SER C C 132 172.970 172.970 173.927 -0.957 25476 13598 1 20 . 1 1 132 132 SER CA C 132 58.620 58.620 57.605 1.015 25476 13599 1 20 . 1 1 132 132 SER CB C 132 63.310 63.310 62.037 1.273 25476 13600 1 20 . 1 1 132 132 SER H H 132 9.070 9.070 8.090 0.980 25476 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 106 3.256 -0.639 3.208 25476 2 1 1 "Average Difference" HA 131 0.494 -0.079 0.490 25476 3 1 1 "Average Difference" C 111 1.226 0.107 1.227 25476 4 1 1 "Average Difference" CA 127 1.368 -0.047 1.373 25476 5 1 1 "Average Difference" CB 111 1.394 0.053 1.399 25476 6 1 1 "Average Difference" HN 106 0.675 -0.204 0.647 25476 7 1 2 "Average Difference" N 106 3.258 -0.572 3.223 25476 8 1 2 "Average Difference" HA 131 0.500 -0.077 0.496 25476 9 1 2 "Average Difference" C 111 1.156 0.106 1.156 25476 10 1 2 "Average Difference" CA 127 1.316 -0.088 1.318 25476 11 1 2 "Average Difference" CB 111 1.445 0.035 1.451 25476 12 1 2 "Average Difference" HN 106 0.627 -0.205 0.596 25476 13 1 3 "Average Difference" N 106 3.177 -0.805 3.088 25476 14 1 3 "Average Difference" HA 131 0.490 -0.101 0.481 25476 15 1 3 "Average Difference" C 111 1.152 0.122 1.150 25476 16 1 3 "Average Difference" CA 127 1.263 0.013 1.268 25476 17 1 3 "Average Difference" CB 111 1.343 0.014 1.349 25476 18 1 3 "Average Difference" HN 106 0.654 -0.218 0.620 25476 19 1 4 "Average Difference" N 106 3.071 -0.520 3.041 25476 20 1 4 "Average Difference" HA 131 0.465 -0.094 0.457 25476 21 1 4 "Average Difference" C 111 1.136 0.156 1.131 25476 22 1 4 "Average Difference" CA 127 1.286 -0.002 1.292 25476 23 1 4 "Average Difference" CB 111 1.389 0.034 1.395 25476 24 1 4 "Average Difference" HN 106 0.638 -0.202 0.609 25476 25 1 5 "Average Difference" N 106 3.504 -0.672 3.455 25476 26 1 5 "Average Difference" HA 131 0.498 -0.087 0.493 25476 27 1 5 "Average Difference" C 111 1.167 0.118 1.166 25476 28 1 5 "Average Difference" CA 127 1.250 -0.037 1.254 25476 29 1 5 "Average Difference" CB 111 1.366 0.012 1.372 25476 30 1 5 "Average Difference" HN 106 0.654 -0.224 0.618 25476 31 1 6 "Average Difference" N 106 3.266 -0.620 3.222 25476 32 1 6 "Average Difference" HA 131 0.497 -0.091 0.490 25476 33 1 6 "Average Difference" C 111 1.134 0.047 1.138 25476 34 1 6 "Average Difference" CA 127 1.334 0.002 1.339 25476 35 1 6 "Average Difference" CB 111 1.318 0.111 1.319 25476 36 1 6 "Average Difference" HN 106 0.653 -0.213 0.621 25476 37 1 7 "Average Difference" N 106 3.463 -0.758 3.395 25476 38 1 7 "Average Difference" HA 131 0.474 -0.090 0.467 25476 39 1 7 "Average Difference" C 111 1.085 0.120 1.083 25476 40 1 7 "Average Difference" CA 127 1.283 -0.024 1.288 25476 41 1 7 "Average Difference" CB 111 1.295 0.021 1.301 25476 42 1 7 "Average Difference" HN 106 0.686 -0.240 0.646 25476 43 1 8 "Average Difference" N 106 2.979 -0.676 2.915 25476 44 1 8 "Average Difference" HA 131 0.511 -0.122 0.498 25476 45 1 8 "Average Difference" C 111 1.182 0.140 1.179 25476 46 1 8 "Average Difference" CA 127 1.347 -0.028 1.352 25476 47 1 8 "Average Difference" CB 111 1.307 0.031 1.313 25476 48 1 8 "Average Difference" HN 106 0.658 -0.225 0.621 25476 49 1 9 "Average Difference" N 106 3.141 -0.631 3.092 25476 50 1 9 "Average Difference" HA 131 0.500 -0.082 0.495 25476 51 1 9 "Average Difference" C 111 1.203 0.151 1.199 25476 52 1 9 "Average Difference" CA 127 1.384 0.001 1.390 25476 53 1 9 "Average Difference" CB 111 1.371 -0.024 1.377 25476 54 1 9 "Average Difference" HN 106 0.700 -0.253 0.656 25476 55 1 10 "Average Difference" N 106 3.187 -0.731 3.117 25476 56 1 10 "Average Difference" HA 131 0.481 -0.087 0.474 25476 57 1 10 "Average Difference" C 111 1.099 0.048 1.103 25476 58 1 10 "Average Difference" CA 127 1.286 -0.105 1.286 25476 59 1 10 "Average Difference" CB 111 1.402 0.115 1.404 25476 60 1 10 "Average Difference" HN 106 0.649 -0.208 0.618 25476 61 1 11 "Average Difference" N 106 3.214 -0.626 3.167 25476 62 1 11 "Average Difference" HA 131 0.495 -0.059 0.493 25476 63 1 11 "Average Difference" C 111 1.176 0.092 1.178 25476 64 1 11 "Average Difference" CA 127 1.284 -0.070 1.287 25476 65 1 11 "Average Difference" CB 111 1.406 0.100 1.409 25476 66 1 11 "Average Difference" HN 106 0.619 -0.175 0.597 25476 67 1 12 "Average Difference" N 106 3.096 -0.860 2.989 25476 68 1 12 "Average Difference" HA 131 0.498 -0.103 0.489 25476 69 1 12 "Average Difference" C 111 1.121 0.099 1.122 25476 70 1 12 "Average Difference" CA 127 1.262 0.013 1.267 25476 71 1 12 "Average Difference" CB 111 1.394 0.126 1.395 25476 72 1 12 "Average Difference" HN 106 0.643 -0.190 0.617 25476 73 1 13 "Average Difference" N 106 3.212 -0.535 3.182 25476 74 1 13 "Average Difference" HA 131 0.500 -0.112 0.489 25476 75 1 13 "Average Difference" C 111 1.178 0.118 1.178 25476 76 1 13 "Average Difference" CA 127 1.222 0.013 1.227 25476 77 1 13 "Average Difference" CB 111 1.328 0.048 1.334 25476 78 1 13 "Average Difference" HN 106 0.656 -0.268 0.601 25476 79 1 14 "Average Difference" N 106 3.207 -0.722 3.140 25476 80 1 14 "Average Difference" HA 131 0.486 -0.083 0.481 25476 81 1 14 "Average Difference" C 111 1.111 0.110 1.111 25476 82 1 14 "Average Difference" CA 127 1.239 0.013 1.243 25476 83 1 14 "Average Difference" CB 111 1.241 0.011 1.247 25476 84 1 14 "Average Difference" HN 106 0.657 -0.189 0.632 25476 85 1 15 "Average Difference" N 106 3.236 -0.690 3.177 25476 86 1 15 "Average Difference" HA 131 0.470 -0.075 0.466 25476 87 1 15 "Average Difference" C 111 1.176 0.126 1.175 25476 88 1 15 "Average Difference" CA 127 1.315 -0.043 1.320 25476 89 1 15 "Average Difference" CB 111 1.395 0.096 1.398 25476 90 1 15 "Average Difference" HN 106 0.625 -0.168 0.605 25476 91 1 16 "Average Difference" N 106 3.487 -0.913 3.381 25476 92 1 16 "Average Difference" HA 131 0.529 -0.086 0.524 25476 93 1 16 "Average Difference" C 111 1.223 0.098 1.225 25476 94 1 16 "Average Difference" CA 127 1.330 -0.100 1.332 25476 95 1 16 "Average Difference" CB 111 1.287 0.065 1.291 25476 96 1 16 "Average Difference" HN 106 0.650 -0.230 0.611 25476 97 1 17 "Average Difference" N 106 3.152 -0.669 3.095 25476 98 1 17 "Average Difference" HA 131 0.498 -0.086 0.492 25476 99 1 17 "Average Difference" C 111 1.184 0.103 1.185 25476 100 1 17 "Average Difference" CA 127 1.341 -0.080 1.344 25476 101 1 17 "Average Difference" CB 111 1.347 0.134 1.347 25476 102 1 17 "Average Difference" HN 106 0.681 -0.211 0.650 25476 103 1 18 "Average Difference" N 106 3.226 -0.457 3.209 25476 104 1 18 "Average Difference" HA 131 0.478 -0.089 0.472 25476 105 1 18 "Average Difference" C 111 1.155 0.066 1.158 25476 106 1 18 "Average Difference" CA 127 1.389 -0.017 1.394 25476 107 1 18 "Average Difference" CB 111 1.444 0.017 1.450 25476 108 1 18 "Average Difference" HN 106 0.647 -0.227 0.609 25476 109 1 19 "Average Difference" N 106 3.024 -0.398 3.012 25476 110 1 19 "Average Difference" HA 131 0.510 -0.082 0.506 25476 111 1 19 "Average Difference" C 111 1.149 0.089 1.151 25476 112 1 19 "Average Difference" CA 127 1.308 -0.062 1.312 25476 113 1 19 "Average Difference" CB 111 1.303 0.098 1.305 25476 114 1 19 "Average Difference" HN 106 0.662 -0.196 0.635 25476 115 1 20 "Average Difference" N 106 3.655 -0.860 3.569 25476 116 1 20 "Average Difference" HA 131 0.470 -0.059 0.468 25476 117 1 20 "Average Difference" C 111 1.130 0.107 1.131 25476 118 1 20 "Average Difference" CA 127 1.312 -0.036 1.317 25476 119 1 20 "Average Difference" CB 111 1.380 0.087 1.384 25476 120 1 20 "Average Difference" HN 106 0.667 -0.201 0.639 25476 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 25476 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 THR N N 2 118.280 118.280 113.680 4.600 25476 2 1 . 1 1 2 2 THR HA H 2 4.550 4.550 4.631 -0.081 25476 3 1 . 1 1 2 2 THR C C 2 174.150 174.150 174.651 -0.501 25476 4 1 . 1 1 2 2 THR CA C 2 61.600 61.600 61.145 0.455 25476 5 1 . 1 1 2 2 THR CB C 2 69.970 69.970 70.430 -0.460 25476 6 1 . 1 1 2 2 THR H H 2 8.470 8.470 7.915 0.555 25476 7 1 . 1 1 3 3 LEU N N 3 125.130 125.130 121.382 3.747 25476 8 1 . 1 1 3 3 LEU HA H 3 4.660 4.660 4.587 0.073 25476 9 1 . 1 1 3 3 LEU C C 3 176.690 176.690 177.827 -1.137 25476 10 1 . 1 1 3 3 LEU CA C 3 53.540 53.540 53.403 0.137 25476 11 1 . 1 1 3 3 LEU CB C 3 40.050 40.050 41.061 -1.011 25476 12 1 . 1 1 3 3 LEU H H 3 8.580 8.580 8.218 0.362 25476 13 1 . 1 1 4 4 PRO HA H 4 4.360 4.360 4.353 0.007 25476 14 1 . 1 1 4 4 PRO CA C 4 65.470 65.470 64.653 0.817 25476 15 1 . 1 1 4 4 PRO CB C 4 31.890 31.890 31.754 0.136 25476 16 1 . 1 1 5 5 SER HA H 5 4.580 4.580 4.373 0.207 25476 17 1 . 1 1 5 5 SER C C 5 175.510 175.510 175.469 0.041 25476 18 1 . 1 1 5 5 SER CA C 5 59.410 59.410 58.848 0.562 25476 19 1 . 1 1 5 5 SER CB C 5 63.110 63.110 63.232 -0.122 25476 20 1 . 1 1 6 6 GLY N N 6 112.010 112.010 108.794 3.216 25476 21 1 . 1 1 6 6 GLY C C 6 173.300 173.300 174.293 -0.993 25476 22 1 . 1 1 6 6 GLY CA C 6 44.530 44.530 45.023 -0.493 25476 23 1 . 1 1 6 6 GLY H H 6 8.620 8.620 7.618 1.002 25476 24 1 . 1 1 7 7 HIS N N 7 119.440 119.440 121.269 -1.829 25476 25 1 . 1 1 7 7 HIS HA H 7 4.680 4.680 4.956 -0.276 25476 26 1 . 1 1 7 7 HIS CA C 7 56.340 56.340 53.683 2.657 25476 27 1 . 1 1 7 7 HIS CB C 7 31.030 31.030 30.420 0.610 25476 28 1 . 1 1 7 7 HIS H H 7 7.170 7.170 7.920 -0.749 25476 29 1 . 1 1 8 8 PRO HA H 8 4.790 4.790 4.542 0.248 25476 30 1 . 1 1 8 8 PRO C C 8 178.140 178.140 177.137 1.003 25476 31 1 . 1 1 8 8 PRO CA C 8 62.850 62.850 63.109 -0.259 25476 32 1 . 1 1 8 8 PRO CB C 8 31.980 31.980 32.943 -0.963 25476 33 1 . 1 1 9 9 LYS N N 9 127.570 127.570 126.359 1.211 25476 34 1 . 1 1 9 9 LYS HA H 9 4.170 4.170 4.218 -0.048 25476 35 1 . 1 1 9 9 LYS C C 9 178.050 178.050 178.618 -0.568 25476 36 1 . 1 1 9 9 LYS CA C 9 60.830 60.830 60.316 0.514 25476 37 1 . 1 1 9 9 LYS H H 9 9.000 9.000 8.730 0.270 25476 38 1 . 1 1 10 10 SER N N 10 113.610 113.610 115.006 -1.396 25476 39 1 . 1 1 10 10 SER HA H 10 4.120 4.120 4.252 -0.132 25476 40 1 . 1 1 10 10 SER C C 10 176.750 176.750 176.624 0.126 25476 41 1 . 1 1 10 10 SER CA C 10 61.050 61.050 61.691 -0.641 25476 42 1 . 1 1 10 10 SER H H 10 9.170 9.170 8.476 0.694 25476 43 1 . 1 1 11 11 ARG N N 11 122.220 122.220 121.455 0.765 25476 44 1 . 1 1 11 11 ARG HA H 11 4.150 4.150 4.150 0.000 25476 45 1 . 1 1 11 11 ARG C C 11 177.890 177.890 178.416 -0.526 25476 46 1 . 1 1 11 11 ARG CA C 11 58.280 58.280 58.702 -0.421 25476 47 1 . 1 1 11 11 ARG CB C 11 30.010 30.010 29.702 0.308 25476 48 1 . 1 1 11 11 ARG H H 11 7.100 7.100 8.215 -1.115 25476 49 1 . 1 1 12 12 LEU N N 12 121.360 121.360 121.047 0.313 25476 50 1 . 1 1 12 12 LEU HA H 12 3.570 3.570 3.765 -0.195 25476 51 1 . 1 1 12 12 LEU C C 12 177.890 177.890 178.596 -0.706 25476 52 1 . 1 1 12 12 LEU CA C 12 56.000 56.000 57.990 -1.990 25476 53 1 . 1 1 12 12 LEU CB C 12 39.440 39.440 41.433 -1.993 25476 54 1 . 1 1 12 12 LEU H H 12 7.220 7.220 7.761 -0.541 25476 55 1 . 1 1 13 13 ILE N N 13 118.920 118.920 119.634 -0.714 25476 56 1 . 1 1 13 13 ILE HA H 13 3.770 3.770 3.798 -0.028 25476 57 1 . 1 1 13 13 ILE C C 13 179.060 179.060 178.629 0.431 25476 58 1 . 1 1 13 13 ILE CA C 13 65.130 65.130 64.728 0.402 25476 59 1 . 1 1 13 13 ILE CB C 13 36.430 36.430 36.775 -0.345 25476 60 1 . 1 1 13 13 ILE H H 13 8.590 8.590 8.525 0.065 25476 61 1 . 1 1 14 14 LYS N N 14 121.950 121.950 118.948 3.002 25476 62 1 . 1 1 14 14 LYS HA H 14 4.130 4.130 4.108 0.022 25476 63 1 . 1 1 14 14 LYS C C 14 179.810 179.810 178.978 0.832 25476 64 1 . 1 1 14 14 LYS CA C 14 60.060 60.060 58.667 1.393 25476 65 1 . 1 1 14 14 LYS CB C 14 32.080 32.080 32.084 -0.004 25476 66 1 . 1 1 14 14 LYS H H 14 7.730 7.730 7.824 -0.094 25476 67 1 . 1 1 15 15 LYS N N 15 119.750 119.750 119.085 0.665 25476 68 1 . 1 1 15 15 LYS HA H 15 4.120 4.120 3.992 0.128 25476 69 1 . 1 1 15 15 LYS C C 15 179.700 179.700 179.426 0.274 25476 70 1 . 1 1 15 15 LYS CA C 15 58.730 58.730 59.122 -0.392 25476 71 1 . 1 1 15 15 LYS CB C 15 31.950 31.950 32.354 -0.404 25476 72 1 . 1 1 15 15 LYS H H 15 7.800 7.800 7.676 0.124 25476 73 1 . 1 1 16 16 PHE N N 16 117.660 117.660 118.614 -0.955 25476 74 1 . 1 1 16 16 PHE HA H 16 4.760 4.760 4.271 0.489 25476 75 1 . 1 1 16 16 PHE C C 16 180.960 180.960 178.111 2.849 25476 76 1 . 1 1 16 16 PHE CA C 16 56.640 56.640 60.086 -3.446 25476 77 1 . 1 1 16 16 PHE CB C 16 38.800 38.800 38.134 0.666 25476 78 1 . 1 1 16 16 PHE H H 16 9.130 9.130 8.564 0.566 25476 79 1 . 1 1 17 17 THR N N 17 120.130 120.130 115.958 4.172 25476 80 1 . 1 1 17 17 THR HA H 17 4.370 4.370 4.063 0.307 25476 81 1 . 1 1 17 17 THR C C 17 175.550 175.550 176.070 -0.520 25476 82 1 . 1 1 17 17 THR CA C 17 66.840 66.840 65.798 1.042 25476 83 1 . 1 1 17 17 THR CB C 17 68.920 68.920 68.344 0.576 25476 84 1 . 1 1 17 17 THR H H 17 8.940 8.940 7.722 1.218 25476 85 1 . 1 1 18 18 ALA N N 18 122.170 122.170 122.910 -0.740 25476 86 1 . 1 1 18 18 ALA HA H 18 4.380 4.380 4.240 0.140 25476 87 1 . 1 1 18 18 ALA C C 18 178.110 178.110 177.699 0.411 25476 88 1 . 1 1 18 18 ALA CA C 18 53.390 53.390 53.486 -0.096 25476 89 1 . 1 1 18 18 ALA CB C 18 18.300 18.300 18.498 -0.198 25476 90 1 . 1 1 18 18 ALA H H 18 7.310 7.310 7.767 -0.457 25476 91 1 . 1 1 19 19 LEU N N 19 116.080 116.080 116.536 -0.455 25476 92 1 . 1 1 19 19 LEU HA H 19 4.370 4.370 4.420 -0.050 25476 93 1 . 1 1 19 19 LEU C C 19 176.620 176.620 176.156 0.464 25476 94 1 . 1 1 19 19 LEU CA C 19 56.630 56.630 54.084 2.546 25476 95 1 . 1 1 19 19 LEU CB C 19 42.420 42.420 42.069 0.351 25476 96 1 . 1 1 19 19 LEU H H 19 7.580 7.580 7.657 -0.077 25476 97 1 . 1 1 20 20 GLY N N 20 103.280 103.280 106.545 -3.265 25476 98 1 . 1 1 20 20 GLY CA C 20 44.060 44.060 44.861 -0.801 25476 99 1 . 1 1 20 20 GLY H H 20 7.650 7.650 7.290 0.360 25476 100 1 . 1 1 21 21 PRO HA H 21 4.870 4.870 4.379 0.491 25476 101 1 . 1 1 21 21 PRO C C 21 174.850 174.850 176.342 -1.492 25476 102 1 . 1 1 21 21 PRO CA C 21 63.140 63.140 62.379 0.761 25476 103 1 . 1 1 21 21 PRO CB C 21 28.900 28.900 32.356 -3.456 25476 104 1 . 1 1 22 22 TYR N N 22 120.690 120.690 117.379 3.311 25476 105 1 . 1 1 22 22 TYR HA H 22 5.180 5.180 4.330 0.850 25476 106 1 . 1 1 22 22 TYR C C 22 176.340 176.340 176.571 -0.231 25476 107 1 . 1 1 22 22 TYR CA C 22 57.780 57.780 59.035 -1.255 25476 108 1 . 1 1 22 22 TYR CB C 22 41.500 41.500 38.127 3.373 25476 109 1 . 1 1 22 22 TYR H H 22 7.680 7.680 8.203 -0.523 25476 110 1 . 1 1 23 23 ILE N N 23 119.130 119.130 123.376 -4.246 25476 111 1 . 1 1 23 23 ILE HA H 23 4.120 4.120 4.090 0.030 25476 112 1 . 1 1 23 23 ILE C C 23 174.210 174.210 176.424 -2.214 25476 113 1 . 1 1 23 23 ILE CA C 23 61.830 61.830 61.092 0.738 25476 114 1 . 1 1 23 23 ILE CB C 23 38.500 38.500 38.438 0.062 25476 115 1 . 1 1 23 23 ILE H H 23 8.860 8.860 8.496 0.364 25476 116 1 . 1 1 24 24 ARG N N 24 126.540 126.540 127.794 -1.254 25476 117 1 . 1 1 24 24 ARG C C 24 177.290 177.290 176.247 1.043 25476 118 1 . 1 1 24 24 ARG CA C 24 52.090 52.090 55.915 -3.825 25476 119 1 . 1 1 24 24 ARG H H 24 8.100 8.100 8.770 -0.670 25476 120 1 . 1 1 25 25 GLU N N 25 126.990 126.990 124.890 2.100 25476 121 1 . 1 1 25 25 GLU HA H 25 4.100 4.100 4.356 -0.256 25476 122 1 . 1 1 25 25 GLU C C 25 176.780 176.780 176.635 0.145 25476 123 1 . 1 1 25 25 GLU CA C 25 60.860 60.860 57.007 3.853 25476 124 1 . 1 1 25 25 GLU CB C 25 29.650 29.650 30.343 -0.693 25476 125 1 . 1 1 25 25 GLU H H 25 9.400 9.400 8.293 1.107 25476 126 1 . 1 1 26 26 GLY N N 26 109.830 109.830 108.444 1.386 25476 127 1 . 1 1 26 26 GLY C C 26 174.380 174.380 173.687 0.693 25476 128 1 . 1 1 26 26 GLY CA C 26 45.520 45.520 44.845 0.675 25476 129 1 . 1 1 26 26 GLY H H 26 8.070 8.070 8.166 -0.096 25476 130 1 . 1 1 27 27 GLN N N 27 117.670 117.670 119.629 -1.959 25476 131 1 . 1 1 27 27 GLN HA H 27 4.310 4.310 4.445 -0.135 25476 132 1 . 1 1 27 27 GLN C C 27 175.350 175.350 175.825 -0.475 25476 133 1 . 1 1 27 27 GLN CA C 27 55.320 55.320 55.926 -0.606 25476 134 1 . 1 1 27 27 GLN CB C 27 29.340 29.340 29.249 0.091 25476 135 1 . 1 1 27 27 GLN H H 27 7.690 7.690 8.471 -0.781 25476 136 1 . 1 1 28 28 CYS N N 28 119.770 119.770 118.949 0.821 25476 137 1 . 1 1 28 28 CYS HA H 28 4.540 4.540 4.432 0.108 25476 138 1 . 1 1 28 28 CYS C C 28 173.480 173.480 174.882 -1.402 25476 139 1 . 1 1 28 28 CYS CA C 28 58.810 58.810 59.044 -0.234 25476 140 1 . 1 1 28 28 CYS CB C 28 27.070 27.070 28.475 -1.405 25476 141 1 . 1 1 28 28 CYS H H 28 7.510 7.510 8.169 -0.659 25476 142 1 . 1 1 29 29 GLU N N 29 124.370 124.370 120.896 3.474 25476 143 1 . 1 1 29 29 GLU HA H 29 4.540 4.540 4.248 0.292 25476 144 1 . 1 1 29 29 GLU C C 29 174.810 174.810 175.383 -0.573 25476 145 1 . 1 1 29 29 GLU CA C 29 55.560 55.560 56.542 -0.982 25476 146 1 . 1 1 29 29 GLU CB C 29 30.030 30.030 29.765 0.265 25476 147 1 . 1 1 29 29 GLU H H 29 7.840 7.840 8.282 -0.442 25476 148 1 . 1 1 31 31 ASN HA H 31 4.580 4.580 4.686 -0.106 25476 149 1 . 1 1 31 31 ASN CA C 31 53.450 53.450 52.881 0.569 25476 150 1 . 1 1 31 31 ASN CB C 31 39.200 39.200 39.459 -0.259 25476 151 1 . 1 1 32 32 ARG HA H 32 5.510 5.510 4.541 0.969 25476 152 1 . 1 1 32 32 ARG CA C 32 55.050 55.050 54.714 0.337 25476 153 1 . 1 1 32 32 ARG CB C 32 33.480 33.480 32.366 1.114 25476 154 1 . 1 1 34 34 PHE HA H 34 5.240 5.240 4.798 0.442 25476 155 1 . 1 1 34 34 PHE C C 34 172.210 172.210 173.979 -1.769 25476 156 1 . 1 1 34 34 PHE CA C 34 57.690 57.690 56.968 0.722 25476 157 1 . 1 1 34 34 PHE CB C 34 44.100 44.100 41.749 2.351 25476 158 1 . 1 1 35 35 PHE N N 35 125.800 125.800 121.895 3.905 25476 159 1 . 1 1 35 35 PHE HA H 35 5.170 5.170 4.706 0.464 25476 160 1 . 1 1 35 35 PHE C C 35 173.110 173.110 173.905 -0.795 25476 161 1 . 1 1 35 35 PHE CA C 35 54.860 54.860 56.212 -1.352 25476 162 1 . 1 1 35 35 PHE CB C 35 43.250 43.250 42.267 0.983 25476 163 1 . 1 1 35 35 PHE H H 35 8.660 8.660 8.091 0.569 25476 164 1 . 1 1 36 36 ASP N N 36 120.960 120.960 122.615 -1.655 25476 165 1 . 1 1 36 36 ASP HA H 36 4.580 4.580 4.478 0.102 25476 166 1 . 1 1 36 36 ASP CA C 36 54.160 54.160 52.880 1.280 25476 167 1 . 1 1 36 36 ASP CB C 36 41.030 41.030 41.010 0.020 25476 168 1 . 1 1 36 36 ASP H H 36 9.370 9.370 8.479 0.891 25476 169 1 . 1 1 37 37 CYS HA H 37 3.990 3.990 4.537 -0.547 25476 170 1 . 1 1 37 37 CYS C C 37 173.460 173.460 173.707 -0.247 25476 171 1 . 1 1 37 37 CYS CA C 37 57.610 57.610 57.674 -0.064 25476 172 1 . 1 1 37 37 CYS CB C 37 27.170 27.170 28.748 -1.578 25476 173 1 . 1 1 38 38 LEU N N 38 131.890 131.890 126.998 4.892 25476 174 1 . 1 1 38 38 LEU HA H 38 4.210 4.210 4.810 -0.600 25476 175 1 . 1 1 38 38 LEU C C 38 175.570 175.570 176.612 -1.042 25476 176 1 . 1 1 38 38 LEU CA C 38 53.530 53.530 54.472 -0.942 25476 177 1 . 1 1 38 38 LEU CB C 38 37.270 37.270 41.912 -4.642 25476 178 1 . 1 1 38 38 LEU H H 38 8.430 8.430 8.634 -0.204 25476 179 1 . 1 1 39 39 ALA N N 39 127.100 127.100 129.655 -2.555 25476 180 1 . 1 1 39 39 ALA HA H 39 4.340 4.340 4.549 -0.209 25476 181 1 . 1 1 39 39 ALA C C 39 178.500 178.500 176.817 1.683 25476 182 1 . 1 1 39 39 ALA CA C 39 55.380 55.380 53.181 2.199 25476 183 1 . 1 1 39 39 ALA CB C 39 21.110 21.110 20.542 0.568 25476 184 1 . 1 1 39 39 ALA H H 39 7.960 7.960 8.748 -0.788 25476 185 1 . 1 1 40 40 VAL N N 40 116.260 116.260 115.934 0.326 25476 186 1 . 1 1 40 40 VAL HA H 40 4.620 4.620 4.540 0.080 25476 187 1 . 1 1 40 40 VAL C C 40 173.990 173.990 174.429 -0.439 25476 188 1 . 1 1 40 40 VAL CA C 40 60.940 60.940 60.150 0.791 25476 189 1 . 1 1 40 40 VAL CB C 40 36.480 36.480 35.390 1.090 25476 190 1 . 1 1 40 40 VAL H H 40 8.590 8.590 7.901 0.689 25476 191 1 . 1 1 41 41 CYS HA H 41 3.880 3.880 4.842 -0.962 25476 192 1 . 1 1 41 41 CYS C C 41 174.640 174.640 175.851 -1.211 25476 193 1 . 1 1 41 41 CYS CA C 41 59.280 59.280 58.215 1.065 25476 194 1 . 1 1 41 41 CYS CB C 41 26.700 26.700 28.775 -2.075 25476 195 1 . 1 1 42 42 VAL N N 42 131.320 131.320 123.898 7.422 25476 196 1 . 1 1 42 42 VAL HA H 42 3.480 3.480 3.996 -0.516 25476 197 1 . 1 1 42 42 VAL C C 42 176.270 176.270 175.899 0.371 25476 198 1 . 1 1 42 42 VAL CA C 42 65.390 65.390 64.050 1.340 25476 199 1 . 1 1 42 42 VAL CB C 42 31.840 31.840 31.787 0.053 25476 200 1 . 1 1 42 42 VAL H H 42 8.610 8.610 8.410 0.200 25476 201 1 . 1 1 43 43 ASN N N 43 116.070 116.070 115.904 0.166 25476 202 1 . 1 1 43 43 ASN HA H 43 4.790 4.790 4.795 -0.005 25476 203 1 . 1 1 43 43 ASN C C 43 175.160 175.160 173.753 1.407 25476 204 1 . 1 1 43 43 ASN CA C 43 52.690 52.690 53.164 -0.474 25476 205 1 . 1 1 43 43 ASN CB C 43 39.940 39.940 40.131 -0.191 25476 206 1 . 1 1 43 43 ASN H H 43 7.280 7.280 7.727 -0.447 25476 207 1 . 1 1 44 44 VAL N N 44 121.350 121.350 119.502 1.848 25476 208 1 . 1 1 44 44 VAL HA H 44 4.120 4.120 4.300 -0.180 25476 209 1 . 1 1 44 44 VAL C C 44 175.460 175.460 175.842 -0.382 25476 210 1 . 1 1 44 44 VAL CA C 44 61.930 61.930 61.796 0.134 25476 211 1 . 1 1 44 44 VAL CB C 44 31.630 31.630 32.733 -1.104 25476 212 1 . 1 1 44 44 VAL H H 44 8.520 8.520 8.419 0.101 25476 213 1 . 1 1 45 45 LYS N N 45 123.190 123.190 120.653 2.537 25476 214 1 . 1 1 45 45 LYS HA H 45 4.210 4.210 4.251 -0.041 25476 215 1 . 1 1 45 45 LYS CA C 45 59.080 59.080 58.061 1.019 25476 216 1 . 1 1 45 45 LYS CB C 45 30.500 30.500 30.686 -0.186 25476 217 1 . 1 1 45 45 LYS H H 45 8.100 8.100 8.240 -0.140 25476 218 1 . 1 1 46 46 PRO HA H 46 4.370 4.370 4.427 -0.057 25476 219 1 . 1 1 46 46 PRO C C 46 174.380 174.380 175.836 -1.456 25476 220 1 . 1 1 46 46 PRO CA C 46 63.060 63.060 62.422 0.638 25476 221 1 . 1 1 46 46 PRO CB C 46 31.660 31.660 32.026 -0.366 25476 222 1 . 1 1 47 47 ALA N N 47 124.500 124.500 121.649 2.851 25476 223 1 . 1 1 47 47 ALA HA H 47 4.470 4.470 4.292 0.178 25476 224 1 . 1 1 47 47 ALA C C 47 176.130 176.130 177.773 -1.643 25476 225 1 . 1 1 47 47 ALA CA C 47 50.740 50.740 51.459 -0.719 25476 226 1 . 1 1 47 47 ALA CB C 47 17.300 17.300 18.349 -1.049 25476 227 1 . 1 1 47 47 ALA H H 47 8.300 8.300 8.353 -0.053 25476 228 1 . 1 1 48 48 PRO HA H 48 3.810 3.810 4.289 -0.479 25476 229 1 . 1 1 48 48 PRO C C 48 178.270 178.270 178.052 0.218 25476 230 1 . 1 1 48 48 PRO CA C 48 66.150 66.150 64.827 1.324 25476 231 1 . 1 1 48 48 PRO CB C 48 31.990 31.990 32.029 -0.039 25476 232 1 . 1 1 49 49 GLU N N 49 116.300 116.300 117.729 -1.429 25476 233 1 . 1 1 49 49 GLU HA H 49 4.290 4.290 4.116 0.174 25476 234 1 . 1 1 49 49 GLU C C 49 176.550 176.550 177.076 -0.526 25476 235 1 . 1 1 49 49 GLU CA C 49 58.120 58.120 58.440 -0.320 25476 236 1 . 1 1 49 49 GLU CB C 49 28.290 28.290 28.641 -0.351 25476 237 1 . 1 1 49 49 GLU H H 49 9.390 9.390 8.836 0.554 25476 238 1 . 1 1 50 50 LYS N N 50 120.030 120.030 117.280 2.750 25476 239 1 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.346 0.114 25476 240 1 . 1 1 50 50 LYS C C 50 175.070 175.070 176.217 -1.147 25476 241 1 . 1 1 50 50 LYS CA C 50 54.670 54.670 55.413 -0.743 25476 242 1 . 1 1 50 50 LYS CB C 50 33.170 33.170 32.764 0.406 25476 243 1 . 1 1 50 50 LYS H H 50 8.350 8.350 7.408 0.942 25476 244 1 . 1 1 51 51 ARG N N 51 119.720 119.720 120.991 -1.271 25476 245 1 . 1 1 51 51 ARG HA H 51 4.300 4.300 4.169 0.131 25476 246 1 . 1 1 51 51 ARG C C 51 174.530 174.530 174.851 -0.321 25476 247 1 . 1 1 51 51 ARG CA C 51 56.690 56.690 56.184 0.506 25476 248 1 . 1 1 51 51 ARG CB C 51 32.000 32.000 31.300 0.700 25476 249 1 . 1 1 51 51 ARG H H 51 7.220 7.220 7.351 -0.131 25476 250 1 . 1 1 52 52 GLU N N 52 119.700 119.700 120.903 -1.203 25476 251 1 . 1 1 52 52 GLU HA H 52 4.690 4.690 4.173 0.517 25476 252 1 . 1 1 52 52 GLU C C 52 175.260 175.260 174.842 0.418 25476 253 1 . 1 1 52 52 GLU CA C 52 54.730 54.730 54.866 -0.136 25476 254 1 . 1 1 52 52 GLU H H 52 8.690 8.690 8.133 0.557 25476 255 1 . 1 1 53 53 PHE N N 53 116.950 116.950 118.486 -1.536 25476 256 1 . 1 1 53 53 PHE HA H 53 5.160 5.160 4.846 0.314 25476 257 1 . 1 1 53 53 PHE C C 53 174.970 174.970 174.699 0.271 25476 258 1 . 1 1 53 53 PHE CA C 53 56.960 56.960 55.870 1.090 25476 259 1 . 1 1 53 53 PHE CB C 53 44.210 44.210 42.224 1.986 25476 260 1 . 1 1 53 53 PHE H H 53 8.590 8.590 7.828 0.762 25476 261 1 . 1 1 54 54 TRP N N 54 123.100 123.100 120.256 2.844 25476 262 1 . 1 1 54 54 TRP HA H 54 5.900 5.900 4.787 1.113 25476 263 1 . 1 1 54 54 TRP C C 54 177.820 177.820 176.112 1.708 25476 264 1 . 1 1 54 54 TRP CA C 54 56.240 56.240 57.365 -1.125 25476 265 1 . 1 1 54 54 TRP CB C 54 31.870 31.870 30.990 0.881 25476 266 1 . 1 1 54 54 TRP H H 54 9.520 9.520 8.968 0.552 25476 267 1 . 1 1 55 55 GLY N N 55 110.840 110.840 108.673 2.167 25476 268 1 . 1 1 55 55 GLY CA C 55 47.240 47.240 45.006 2.234 25476 269 1 . 1 1 55 55 GLY H H 55 9.550 9.550 8.391 1.159 25476 270 1 . 1 1 57 57 TRP HA H 57 5.210 5.210 4.721 0.489 25476 271 1 . 1 1 57 57 TRP CA C 57 57.700 57.700 55.714 1.986 25476 272 1 . 1 1 58 58 MET N N 58 122.630 122.630 122.986 -0.356 25476 273 1 . 1 1 58 58 MET HA H 58 4.370 4.370 4.982 -0.612 25476 274 1 . 1 1 58 58 MET CA C 58 55.230 55.230 54.518 0.712 25476 275 1 . 1 1 58 58 MET CB C 58 35.910 35.910 34.650 1.260 25476 276 1 . 1 1 58 58 MET H H 58 9.680 9.680 8.410 1.270 25476 277 1 . 1 1 59 59 GLU HA H 59 5.430 5.430 4.848 0.582 25476 278 1 . 1 1 59 59 GLU C C 59 175.570 175.570 175.078 0.492 25476 279 1 . 1 1 59 59 GLU CA C 59 54.260 54.260 54.780 -0.520 25476 280 1 . 1 1 60 60 LEU N N 60 126.920 126.920 120.128 6.792 25476 281 1 . 1 1 60 60 LEU HA H 60 6.060 6.060 4.966 1.094 25476 282 1 . 1 1 60 60 LEU C C 60 176.470 176.470 175.162 1.308 25476 283 1 . 1 1 60 60 LEU CA C 60 52.610 52.610 53.385 -0.774 25476 284 1 . 1 1 60 60 LEU CB C 60 47.480 47.480 45.237 2.243 25476 285 1 . 1 1 60 60 LEU H H 60 9.610 9.610 8.279 1.331 25476 286 1 . 1 1 61 61 GLU N N 61 123.560 123.560 120.442 3.118 25476 287 1 . 1 1 61 61 GLU HA H 61 5.180 5.180 4.578 0.602 25476 288 1 . 1 1 61 61 GLU C C 61 174.930 174.930 175.407 -0.477 25476 289 1 . 1 1 61 61 GLU CA C 61 55.050 55.050 54.838 0.212 25476 290 1 . 1 1 61 61 GLU CB C 61 32.200 32.200 32.557 -0.357 25476 291 1 . 1 1 61 61 GLU H H 61 9.070 9.070 8.325 0.745 25476 292 1 . 1 1 62 62 ALA N N 62 129.830 129.830 129.284 0.546 25476 293 1 . 1 1 62 62 ALA HA H 62 3.120 3.120 3.138 -0.018 25476 294 1 . 1 1 62 62 ALA C C 62 175.760 175.760 176.856 -1.096 25476 295 1 . 1 1 62 62 ALA CA C 62 52.680 52.680 52.527 0.153 25476 296 1 . 1 1 62 62 ALA CB C 62 21.330 21.330 18.930 2.400 25476 297 1 . 1 1 62 62 ALA H H 62 9.030 9.030 8.516 0.514 25476 298 1 . 1 1 63 63 GLN N N 63 122.550 122.550 123.059 -0.509 25476 299 1 . 1 1 63 63 GLN HA H 63 4.750 4.750 4.255 0.495 25476 300 1 . 1 1 63 63 GLN C C 63 175.470 175.470 177.230 -1.760 25476 301 1 . 1 1 63 63 GLN CA C 63 53.940 53.940 54.831 -0.891 25476 302 1 . 1 1 63 63 GLN CB C 63 29.650 29.650 30.141 -0.491 25476 303 1 . 1 1 63 63 GLN H H 63 8.170 8.170 7.896 0.274 25476 304 1 . 1 1 64 64 GLU N N 64 120.760 120.760 119.671 1.089 25476 305 1 . 1 1 64 64 GLU HA H 64 3.550 3.550 4.034 -0.484 25476 306 1 . 1 1 64 64 GLU C C 64 176.740 176.740 176.549 0.191 25476 307 1 . 1 1 64 64 GLU CA C 64 61.340 61.340 59.265 2.075 25476 308 1 . 1 1 64 64 GLU CB C 64 29.620 29.620 29.950 -0.330 25476 309 1 . 1 1 64 64 GLU H H 64 8.730 8.730 8.554 0.176 25476 310 1 . 1 1 65 65 LYS N N 65 112.820 112.820 114.233 -1.413 25476 311 1 . 1 1 65 65 LYS HA H 65 4.630 4.630 4.412 0.217 25476 312 1 . 1 1 65 65 LYS C C 65 175.960 175.960 174.902 1.058 25476 313 1 . 1 1 65 65 LYS CA C 65 54.790 54.790 55.603 -0.812 25476 314 1 . 1 1 65 65 LYS CB C 65 33.300 33.300 32.284 1.016 25476 315 1 . 1 1 65 65 LYS H H 65 8.750 8.750 8.012 0.738 25476 316 1 . 1 1 66 66 ARG N N 66 115.100 115.100 117.688 -2.588 25476 317 1 . 1 1 66 66 ARG HA H 66 5.300 5.300 4.699 0.601 25476 318 1 . 1 1 66 66 ARG C C 66 172.980 172.980 173.586 -0.606 25476 319 1 . 1 1 66 66 ARG CA C 66 53.530 53.530 55.541 -2.011 25476 320 1 . 1 1 66 66 ARG CB C 66 33.000 33.000 33.645 -0.645 25476 321 1 . 1 1 66 66 ARG H H 66 7.520 7.520 7.509 0.011 25476 322 1 . 1 1 67 67 PHE N N 67 119.960 119.960 117.672 2.288 25476 323 1 . 1 1 67 67 PHE HA H 67 5.740 5.740 4.907 0.833 25476 324 1 . 1 1 67 67 PHE C C 67 176.040 176.040 174.405 1.635 25476 325 1 . 1 1 67 67 PHE CA C 67 56.120 56.120 57.430 -1.310 25476 326 1 . 1 1 67 67 PHE CB C 67 41.950 41.950 43.988 -2.038 25476 327 1 . 1 1 67 67 PHE H H 67 9.220 9.220 8.756 0.464 25476 328 1 . 1 1 68 68 THR N N 68 111.030 111.030 116.857 -5.827 25476 329 1 . 1 1 68 68 THR HA H 68 6.310 6.310 4.866 1.444 25476 330 1 . 1 1 68 68 THR C C 68 175.340 175.340 172.694 2.646 25476 331 1 . 1 1 68 68 THR CA C 68 57.990 57.990 60.044 -2.054 25476 332 1 . 1 1 68 68 THR CB C 68 70.260 70.260 70.880 -0.620 25476 333 1 . 1 1 68 68 THR H H 68 9.200 9.200 8.307 0.893 25476 334 1 . 1 1 69 69 TYR N N 69 115.700 115.700 122.070 -6.370 25476 335 1 . 1 1 69 69 TYR HA H 69 6.090 6.090 4.926 1.164 25476 336 1 . 1 1 69 69 TYR C C 69 173.310 173.310 173.218 0.092 25476 337 1 . 1 1 69 69 TYR CA C 69 55.500 55.500 56.656 -1.156 25476 338 1 . 1 1 69 69 TYR CB C 69 44.600 44.600 41.175 3.425 25476 339 1 . 1 1 69 69 TYR H H 69 8.190 8.190 8.581 -0.391 25476 340 1 . 1 1 70 70 ARG N N 70 115.070 115.070 119.503 -4.433 25476 341 1 . 1 1 70 70 ARG HA H 70 5.510 5.510 4.343 1.167 25476 342 1 . 1 1 70 70 ARG C C 70 175.220 175.220 174.316 0.904 25476 343 1 . 1 1 70 70 ARG CA C 70 55.150 55.150 54.548 0.602 25476 344 1 . 1 1 70 70 ARG CB C 70 32.780 32.780 33.970 -1.190 25476 345 1 . 1 1 70 70 ARG H H 70 8.160 8.160 8.393 -0.233 25476 346 1 . 1 1 71 71 TYR N N 71 118.750 118.750 119.780 -1.030 25476 347 1 . 1 1 71 71 TYR CA C 71 56.120 56.120 56.810 -0.690 25476 348 1 . 1 1 71 71 TYR H H 71 9.220 9.220 8.035 1.185 25476 349 1 . 1 1 72 72 GLN HA H 72 4.420 4.420 4.662 -0.242 25476 350 1 . 1 1 72 72 GLN CA C 72 54.850 54.850 54.565 0.285 25476 351 1 . 1 1 72 72 GLN CB C 72 30.990 30.990 32.666 -1.676 25476 352 1 . 1 1 73 73 PHE HA H 73 5.830 5.830 4.641 1.189 25476 353 1 . 1 1 73 73 PHE C C 73 177.280 177.280 175.882 1.398 25476 354 1 . 1 1 73 73 PHE CA C 73 53.680 53.680 57.606 -3.926 25476 355 1 . 1 1 73 73 PHE CB C 73 39.800 39.800 40.834 -1.034 25476 356 1 . 1 1 74 74 GLY N N 74 108.520 108.520 109.272 -0.752 25476 357 1 . 1 1 74 74 GLY CA C 74 47.480 47.480 45.146 2.334 25476 358 1 . 1 1 74 74 GLY H H 74 9.350 9.350 7.968 1.382 25476 359 1 . 1 1 75 75 LEU HA H 75 5.370 5.370 5.038 0.332 25476 360 1 . 1 1 75 75 LEU C C 75 174.270 174.270 174.773 -0.503 25476 361 1 . 1 1 75 75 LEU CA C 75 53.790 53.790 54.420 -0.630 25476 362 1 . 1 1 75 75 LEU CB C 75 46.860 46.860 46.064 0.796 25476 363 1 . 1 1 76 76 PHE N N 76 135.230 135.230 126.184 9.046 25476 364 1 . 1 1 76 76 PHE HA H 76 4.340 4.340 5.039 -0.699 25476 365 1 . 1 1 76 76 PHE C C 76 174.690 174.690 173.902 0.788 25476 366 1 . 1 1 76 76 PHE CA C 76 56.900 56.900 56.113 0.787 25476 367 1 . 1 1 76 76 PHE H H 76 9.840 9.840 8.516 1.324 25476 368 1 . 1 1 77 77 ASP N N 77 125.580 125.580 126.793 -1.213 25476 369 1 . 1 1 77 77 ASP HA H 77 4.330 4.330 4.512 -0.182 25476 370 1 . 1 1 77 77 ASP C C 77 178.310 178.310 176.540 1.771 25476 371 1 . 1 1 77 77 ASP CA C 77 52.750 52.750 52.742 0.008 25476 372 1 . 1 1 77 77 ASP CB C 77 42.460 42.460 43.573 -1.113 25476 373 1 . 1 1 77 77 ASP H H 77 7.940 7.940 8.205 -0.265 25476 374 1 . 1 1 78 78 LYS N N 78 116.610 116.610 118.536 -1.926 25476 375 1 . 1 1 78 78 LYS HA H 78 4.090 4.090 3.907 0.183 25476 376 1 . 1 1 78 78 LYS C C 78 176.910 176.910 177.159 -0.249 25476 377 1 . 1 1 78 78 LYS CA C 78 57.580 57.580 58.484 -0.904 25476 378 1 . 1 1 78 78 LYS CB C 78 31.030 31.030 32.167 -1.137 25476 379 1 . 1 1 78 78 LYS H H 78 9.030 9.030 8.397 0.633 25476 380 1 . 1 1 79 79 GLU N N 79 120.510 120.510 117.798 2.712 25476 381 1 . 1 1 79 79 GLU HA H 79 4.260 4.260 4.237 0.024 25476 382 1 . 1 1 79 79 GLU C C 79 176.160 176.160 176.687 -0.527 25476 383 1 . 1 1 79 79 GLU CA C 79 55.330 55.330 56.018 -0.688 25476 384 1 . 1 1 79 79 GLU CB C 79 29.420 29.420 29.307 0.113 25476 385 1 . 1 1 79 79 GLU H H 79 7.850 7.850 7.924 -0.074 25476 386 1 . 1 1 80 80 GLY N N 80 109.610 109.610 107.952 1.658 25476 387 1 . 1 1 80 80 GLY C C 80 172.820 172.820 173.774 -0.954 25476 388 1 . 1 1 80 80 GLY CA C 80 45.380 45.380 45.331 0.049 25476 389 1 . 1 1 80 80 GLY H H 80 7.800 7.800 7.686 0.114 25476 390 1 . 1 1 81 81 ASN N N 81 117.680 117.680 118.054 -0.374 25476 391 1 . 1 1 81 81 ASN HA H 81 4.710 4.710 4.520 0.190 25476 392 1 . 1 1 81 81 ASN C C 81 174.110 174.110 175.106 -0.996 25476 393 1 . 1 1 81 81 ASN CA C 81 51.160 51.160 52.087 -0.927 25476 394 1 . 1 1 81 81 ASN CB C 81 40.160 40.160 39.239 0.921 25476 395 1 . 1 1 81 81 ASN H H 81 7.560 7.560 7.942 -0.382 25476 396 1 . 1 1 82 82 TRP N N 82 122.870 122.870 123.073 -0.203 25476 397 1 . 1 1 82 82 TRP HA H 82 5.150 5.150 4.489 0.661 25476 398 1 . 1 1 82 82 TRP C C 82 177.480 177.480 175.820 1.660 25476 399 1 . 1 1 82 82 TRP CA C 82 57.260 57.260 56.850 0.410 25476 400 1 . 1 1 82 82 TRP H H 82 8.480 8.480 7.980 0.500 25476 401 1 . 1 1 83 83 THR N N 83 118.050 118.050 121.158 -3.108 25476 402 1 . 1 1 83 83 THR HA H 83 4.820 4.820 4.592 0.228 25476 403 1 . 1 1 83 83 THR C C 83 173.630 173.630 173.558 0.073 25476 404 1 . 1 1 83 83 THR CA C 83 60.470 60.470 61.715 -1.245 25476 405 1 . 1 1 83 83 THR CB C 83 72.050 72.050 71.219 0.831 25476 406 1 . 1 1 83 83 THR H H 83 9.280 9.280 8.593 0.687 25476 407 1 . 1 1 84 84 VAL N N 84 125.990 125.990 123.090 2.900 25476 408 1 . 1 1 84 84 VAL HA H 84 4.530 4.530 4.440 0.090 25476 409 1 . 1 1 84 84 VAL C C 84 175.440 175.440 175.138 0.302 25476 410 1 . 1 1 84 84 VAL CA C 84 64.280 64.280 62.407 1.873 25476 411 1 . 1 1 84 84 VAL CB C 84 31.630 31.630 31.806 -0.176 25476 412 1 . 1 1 84 84 VAL H H 84 9.100 9.100 8.457 0.644 25476 413 1 . 1 1 85 85 VAL N N 85 124.640 124.640 125.317 -0.677 25476 414 1 . 1 1 85 85 VAL HA H 85 4.970 4.970 4.720 0.250 25476 415 1 . 1 1 85 85 VAL CA C 85 58.050 58.050 58.940 -0.890 25476 416 1 . 1 1 85 85 VAL CB C 85 35.190 35.190 34.023 1.167 25476 417 1 . 1 1 85 85 VAL H H 85 7.430 7.430 8.299 -0.869 25476 418 1 . 1 1 86 86 PRO HA H 86 4.480 4.480 4.570 -0.090 25476 419 1 . 1 1 86 86 PRO C C 86 175.970 175.970 175.945 0.025 25476 420 1 . 1 1 86 86 PRO CA C 86 62.920 62.920 62.700 0.220 25476 421 1 . 1 1 86 86 PRO CB C 86 31.930 31.930 32.196 -0.266 25476 422 1 . 1 1 87 87 ILE N N 87 123.980 123.980 121.850 2.130 25476 423 1 . 1 1 87 87 ILE HA H 87 3.920 3.920 3.432 0.488 25476 424 1 . 1 1 87 87 ILE C C 87 175.510 175.510 175.700 -0.190 25476 425 1 . 1 1 87 87 ILE CA C 87 60.120 60.120 59.858 0.262 25476 426 1 . 1 1 87 87 ILE CB C 87 37.550 37.550 37.505 0.045 25476 427 1 . 1 1 87 87 ILE H H 87 8.500 8.500 8.056 0.444 25476 428 1 . 1 1 88 88 ASN N N 88 119.050 119.050 124.165 -5.115 25476 429 1 . 1 1 88 88 ASN HA H 88 4.360 4.360 4.655 -0.295 25476 430 1 . 1 1 88 88 ASN CA C 88 52.210 52.210 52.965 -0.755 25476 431 1 . 1 1 88 88 ASN CB C 88 37.740 37.740 39.473 -1.733 25476 432 1 . 1 1 88 88 ASN H H 88 8.390 8.390 8.161 0.229 25476 433 1 . 1 1 90 90 THR HA H 90 3.800 3.800 3.900 -0.100 25476 434 1 . 1 1 90 90 THR C C 90 175.860 175.860 175.846 0.014 25476 435 1 . 1 1 90 90 THR CA C 90 66.300 66.300 66.075 0.225 25476 436 1 . 1 1 90 90 THR CB C 90 68.380 68.380 68.690 -0.310 25476 437 1 . 1 1 91 91 GLU N N 91 120.430 120.430 119.588 0.842 25476 438 1 . 1 1 91 91 GLU HA H 91 4.110 4.110 4.061 0.049 25476 439 1 . 1 1 91 91 GLU C C 91 179.320 179.320 178.731 0.589 25476 440 1 . 1 1 91 91 GLU CA C 91 59.460 59.460 59.068 0.392 25476 441 1 . 1 1 91 91 GLU CB C 91 29.040 29.040 28.892 0.148 25476 442 1 . 1 1 91 91 GLU H H 91 9.440 9.440 8.684 0.755 25476 443 1 . 1 1 92 92 VAL N N 92 119.810 119.810 119.816 -0.006 25476 444 1 . 1 1 92 92 VAL HA H 92 3.620 3.620 3.857 -0.237 25476 445 1 . 1 1 92 92 VAL C C 92 177.270 177.270 177.930 -0.660 25476 446 1 . 1 1 92 92 VAL CA C 92 65.950 65.950 65.506 0.444 25476 447 1 . 1 1 92 92 VAL CB C 92 31.480 31.480 31.664 -0.184 25476 448 1 . 1 1 92 92 VAL H H 92 7.010 7.010 7.766 -0.757 25476 449 1 . 1 1 93 93 VAL N N 93 120.570 120.570 120.847 -0.277 25476 450 1 . 1 1 93 93 VAL HA H 93 3.290 3.290 3.544 -0.254 25476 451 1 . 1 1 93 93 VAL C C 93 177.970 177.970 177.655 0.315 25476 452 1 . 1 1 93 93 VAL CA C 93 67.350 67.350 66.446 0.904 25476 453 1 . 1 1 93 93 VAL CB C 93 31.460 31.460 31.560 -0.100 25476 454 1 . 1 1 93 93 VAL H H 93 7.720 7.720 7.468 0.252 25476 455 1 . 1 1 94 94 GLU N N 94 118.100 118.100 118.495 -0.395 25476 456 1 . 1 1 94 94 GLU HA H 94 4.110 4.110 4.136 -0.026 25476 457 1 . 1 1 94 94 GLU C C 94 179.420 179.420 178.951 0.469 25476 458 1 . 1 1 94 94 GLU CA C 94 59.650 59.650 59.402 0.248 25476 459 1 . 1 1 94 94 GLU CB C 94 29.390 29.390 29.214 0.176 25476 460 1 . 1 1 94 94 GLU H H 94 8.320 8.320 8.266 0.054 25476 461 1 . 1 1 95 95 ARG N N 95 120.330 120.330 120.568 -0.238 25476 462 1 . 1 1 95 95 ARG HA H 95 4.370 4.370 4.239 0.131 25476 463 1 . 1 1 95 95 ARG C C 95 179.510 179.510 178.716 0.794 25476 464 1 . 1 1 95 95 ARG CA C 95 57.540 57.540 58.371 -0.831 25476 465 1 . 1 1 95 95 ARG CB C 95 29.620 29.620 29.670 -0.049 25476 466 1 . 1 1 95 95 ARG H H 95 7.350 7.350 7.751 -0.401 25476 467 1 . 1 1 96 96 LEU N N 96 124.600 124.600 120.165 4.435 25476 468 1 . 1 1 96 96 LEU HA H 96 3.830 3.830 4.414 -0.584 25476 469 1 . 1 1 96 96 LEU C C 96 177.600 177.600 179.473 -1.873 25476 470 1 . 1 1 96 96 LEU CA C 96 59.290 59.290 57.800 1.490 25476 471 1 . 1 1 96 96 LEU CB C 96 39.600 39.600 41.371 -1.771 25476 472 1 . 1 1 96 96 LEU H H 96 8.600 8.600 7.853 0.746 25476 473 1 . 1 1 97 97 GLU N N 97 118.190 118.190 119.701 -1.511 25476 474 1 . 1 1 97 97 GLU HA H 97 3.740 3.740 4.015 -0.275 25476 475 1 . 1 1 97 97 GLU C C 97 177.630 177.630 179.008 -1.378 25476 476 1 . 1 1 97 97 GLU CA C 97 60.440 60.440 59.633 0.807 25476 477 1 . 1 1 97 97 GLU CB C 97 28.220 28.220 29.464 -1.244 25476 478 1 . 1 1 97 97 GLU H H 97 8.540 8.540 8.191 0.349 25476 479 1 . 1 1 98 98 TYR N N 98 119.160 119.160 120.137 -0.977 25476 480 1 . 1 1 98 98 TYR HA H 98 4.070 4.070 4.263 -0.193 25476 481 1 . 1 1 98 98 TYR C C 98 179.010 179.010 177.361 1.649 25476 482 1 . 1 1 98 98 TYR CA C 98 62.120 62.120 61.587 0.533 25476 483 1 . 1 1 98 98 TYR CB C 98 38.790 38.790 38.753 0.038 25476 484 1 . 1 1 98 98 TYR H H 98 8.380 8.380 7.879 0.501 25476 485 1 . 1 1 99 99 THR N N 99 109.220 109.220 115.027 -5.807 25476 486 1 . 1 1 99 99 THR HA H 99 4.310 4.310 4.019 0.291 25476 487 1 . 1 1 99 99 THR C C 99 178.320 178.320 176.789 1.531 25476 488 1 . 1 1 99 99 THR CA C 99 64.890 64.890 66.269 -1.379 25476 489 1 . 1 1 99 99 THR CB C 99 69.810 69.810 68.871 0.939 25476 490 1 . 1 1 99 99 THR H H 99 8.480 8.480 8.126 0.354 25476 491 1 . 1 1 100 100 LEU N N 100 128.250 128.250 121.275 6.975 25476 492 1 . 1 1 100 100 LEU HA H 100 3.540 3.540 4.099 -0.559 25476 493 1 . 1 1 100 100 LEU C C 100 177.870 177.870 178.337 -0.467 25476 494 1 . 1 1 100 100 LEU CA C 100 58.200 58.200 58.064 0.136 25476 495 1 . 1 1 100 100 LEU CB C 100 41.460 41.460 40.981 0.479 25476 496 1 . 1 1 100 100 LEU H H 100 8.200 8.200 8.021 0.179 25476 497 1 . 1 1 101 101 ARG N N 101 118.550 118.550 119.181 -0.631 25476 498 1 . 1 1 101 101 ARG HA H 101 3.610 3.610 3.981 -0.371 25476 499 1 . 1 1 101 101 ARG C C 101 178.930 178.930 178.700 0.230 25476 500 1 . 1 1 101 101 ARG CA C 101 60.460 60.460 59.119 1.341 25476 501 1 . 1 1 101 101 ARG CB C 101 29.290 29.290 29.800 -0.510 25476 502 1 . 1 1 101 101 ARG H H 101 8.440 8.440 7.718 0.722 25476 503 1 . 1 1 102 102 GLU N N 102 119.760 119.760 119.081 0.679 25476 504 1 . 1 1 102 102 GLU HA H 102 3.920 3.920 4.026 -0.106 25476 505 1 . 1 1 102 102 GLU C C 102 178.360 178.360 178.807 -0.447 25476 506 1 . 1 1 102 102 GLU CA C 102 58.950 58.950 58.668 0.282 25476 507 1 . 1 1 102 102 GLU CB C 102 30.020 30.020 28.967 1.053 25476 508 1 . 1 1 102 102 GLU H H 102 7.970 7.970 7.902 0.069 25476 509 1 . 1 1 103 103 PHE N N 103 119.570 119.570 120.810 -1.240 25476 510 1 . 1 1 103 103 PHE HA H 103 3.920 3.920 4.136 -0.216 25476 511 1 . 1 1 103 103 PHE C C 103 175.350 175.350 177.043 -1.693 25476 512 1 . 1 1 103 103 PHE CA C 103 60.800 60.800 61.529 -0.729 25476 513 1 . 1 1 103 103 PHE CB C 103 39.540 39.540 39.330 0.210 25476 514 1 . 1 1 103 103 PHE H H 103 7.630 7.630 8.236 -0.606 25476 515 1 . 1 1 104 104 HIS N N 104 119.160 119.160 118.822 0.338 25476 516 1 . 1 1 104 104 HIS HA H 104 3.030 3.030 4.210 -1.180 25476 517 1 . 1 1 104 104 HIS C C 104 175.460 175.460 177.326 -1.866 25476 518 1 . 1 1 104 104 HIS CA C 104 60.710 60.710 59.765 0.945 25476 519 1 . 1 1 104 104 HIS CB C 104 31.730 31.730 29.804 1.926 25476 520 1 . 1 1 104 104 HIS H H 104 8.800 8.800 7.902 0.898 25476 521 1 . 1 1 105 105 GLU N N 105 117.900 117.900 118.986 -1.086 25476 522 1 . 1 1 105 105 GLU HA H 105 3.440 3.440 3.849 -0.409 25476 523 1 . 1 1 105 105 GLU C C 105 177.990 177.990 178.616 -0.626 25476 524 1 . 1 1 105 105 GLU CA C 105 59.610 59.610 59.386 0.224 25476 525 1 . 1 1 105 105 GLU CB C 105 29.300 29.300 29.585 -0.285 25476 526 1 . 1 1 105 105 GLU H H 105 7.890 7.890 7.720 0.170 25476 527 1 . 1 1 106 106 LYS N N 106 117.260 117.260 118.872 -1.612 25476 528 1 . 1 1 106 106 LYS HA H 106 3.970 3.970 3.994 -0.024 25476 529 1 . 1 1 106 106 LYS C C 106 179.570 179.570 178.782 0.788 25476 530 1 . 1 1 106 106 LYS CA C 106 58.710 58.710 58.905 -0.195 25476 531 1 . 1 1 106 106 LYS CB C 106 32.780 32.780 32.122 0.658 25476 532 1 . 1 1 106 106 LYS H H 106 6.870 6.870 7.621 -0.751 25476 533 1 . 1 1 107 107 LEU N N 107 123.180 123.180 121.313 1.867 25476 534 1 . 1 1 107 107 LEU HA H 107 3.450 3.450 3.959 -0.509 25476 535 1 . 1 1 107 107 LEU C C 107 177.170 177.170 178.502 -1.332 25476 536 1 . 1 1 107 107 LEU CA C 107 57.340 57.340 56.960 0.380 25476 537 1 . 1 1 107 107 LEU CB C 107 41.240 41.240 40.975 0.265 25476 538 1 . 1 1 107 107 LEU H H 107 8.020 8.020 7.781 0.239 25476 539 1 . 1 1 108 108 ARG N N 108 120.070 120.070 119.399 0.671 25476 540 1 . 1 1 108 108 ARG HA H 108 3.410 3.410 3.748 -0.338 25476 541 1 . 1 1 108 108 ARG C C 108 178.460 178.460 178.237 0.223 25476 542 1 . 1 1 108 108 ARG CA C 108 59.640 59.640 59.950 -0.310 25476 543 1 . 1 1 108 108 ARG CB C 108 29.210 29.210 29.515 -0.305 25476 544 1 . 1 1 108 108 ARG H H 108 8.680 8.680 7.633 1.047 25476 545 1 . 1 1 109 109 ASP N N 109 119.480 119.480 119.160 0.320 25476 546 1 . 1 1 109 109 ASP HA H 109 4.310 4.310 4.329 -0.019 25476 547 1 . 1 1 109 109 ASP C C 109 178.900 178.900 178.460 0.441 25476 548 1 . 1 1 109 109 ASP CA C 109 57.140 57.140 57.159 -0.019 25476 549 1 . 1 1 109 109 ASP CB C 109 39.870 39.870 40.537 -0.667 25476 550 1 . 1 1 109 109 ASP H H 109 7.890 7.890 7.561 0.329 25476 551 1 . 1 1 110 110 LEU N N 110 122.740 122.740 120.878 1.862 25476 552 1 . 1 1 110 110 LEU HA H 110 4.100 4.100 3.962 0.138 25476 553 1 . 1 1 110 110 LEU C C 110 179.830 179.830 178.565 1.265 25476 554 1 . 1 1 110 110 LEU CA C 110 57.680 57.680 57.857 -0.177 25476 555 1 . 1 1 110 110 LEU CB C 110 41.290 41.290 41.947 -0.657 25476 556 1 . 1 1 110 110 LEU H H 110 7.650 7.650 7.289 0.360 25476 557 1 . 1 1 111 111 LEU N N 111 122.170 122.170 118.961 3.209 25476 558 1 . 1 1 111 111 LEU HA H 111 3.830 3.830 3.815 0.015 25476 559 1 . 1 1 111 111 LEU C C 111 179.990 179.990 179.220 0.770 25476 560 1 . 1 1 111 111 LEU CA C 111 58.610 58.610 58.061 0.549 25476 561 1 . 1 1 111 111 LEU CB C 111 39.380 39.380 41.461 -2.081 25476 562 1 . 1 1 111 111 LEU H H 111 8.320 8.320 7.847 0.473 25476 563 1 . 1 1 112 112 ILE N N 112 122.490 122.490 118.491 3.999 25476 564 1 . 1 1 112 112 ILE HA H 112 3.970 3.970 3.657 0.313 25476 565 1 . 1 1 112 112 ILE C C 112 180.930 180.930 178.000 2.930 25476 566 1 . 1 1 112 112 ILE CA C 112 64.660 64.660 65.127 -0.467 25476 567 1 . 1 1 112 112 ILE CB C 112 37.320 37.320 37.729 -0.409 25476 568 1 . 1 1 112 112 ILE H H 112 8.790 8.790 8.195 0.595 25476 569 1 . 1 1 113 113 SER N N 113 119.860 119.860 114.810 5.050 25476 570 1 . 1 1 113 113 SER HA H 113 4.400 4.400 4.249 0.151 25476 571 1 . 1 1 113 113 SER C C 113 174.520 174.520 175.684 -1.164 25476 572 1 . 1 1 113 113 SER CA C 113 61.390 61.390 60.757 0.633 25476 573 1 . 1 1 113 113 SER CB C 113 62.630 62.630 63.306 -0.676 25476 574 1 . 1 1 113 113 SER H H 113 7.720 7.720 7.700 0.020 25476 575 1 . 1 1 114 114 MET N N 114 121.890 121.890 117.341 4.549 25476 576 1 . 1 1 114 114 MET HA H 114 4.530 4.530 4.556 -0.026 25476 577 1 . 1 1 114 114 MET C C 114 173.850 173.850 175.282 -1.432 25476 578 1 . 1 1 114 114 MET CA C 114 55.330 55.330 55.510 -0.180 25476 579 1 . 1 1 114 114 MET CB C 114 34.040 34.040 33.633 0.407 25476 580 1 . 1 1 114 114 MET H H 114 7.480 7.480 7.253 0.227 25476 581 1 . 1 1 115 115 GLU N N 115 114.160 114.160 116.071 -1.911 25476 582 1 . 1 1 115 115 GLU HA H 115 3.900 3.900 3.955 -0.055 25476 583 1 . 1 1 115 115 GLU C C 115 174.880 174.880 175.249 -0.369 25476 584 1 . 1 1 115 115 GLU CA C 115 57.270 57.270 56.990 0.280 25476 585 1 . 1 1 115 115 GLU CB C 115 26.510 26.510 27.204 -0.694 25476 586 1 . 1 1 115 115 GLU H H 115 8.110 8.110 7.773 0.337 25476 587 1 . 1 1 116 116 LEU N N 116 119.870 119.870 119.947 -0.077 25476 588 1 . 1 1 116 116 LEU HA H 116 4.660 4.660 4.554 0.106 25476 589 1 . 1 1 116 116 LEU C C 116 174.910 174.910 176.240 -1.330 25476 590 1 . 1 1 116 116 LEU CA C 116 53.100 53.100 53.328 -0.228 25476 591 1 . 1 1 116 116 LEU CB C 116 45.570 45.570 43.093 2.477 25476 592 1 . 1 1 116 116 LEU H H 116 7.970 7.970 7.924 0.046 25476 593 1 . 1 1 117 117 ALA N N 117 123.730 123.730 126.716 -2.986 25476 594 1 . 1 1 117 117 ALA HA H 117 4.450 4.450 4.458 -0.008 25476 595 1 . 1 1 117 117 ALA C C 117 174.870 174.870 175.786 -0.916 25476 596 1 . 1 1 117 117 ALA CA C 117 50.870 50.870 51.667 -0.797 25476 597 1 . 1 1 117 117 ALA CB C 117 20.700 20.700 20.284 0.416 25476 598 1 . 1 1 117 117 ALA H H 117 7.530 7.530 8.476 -0.946 25476 599 1 . 1 1 118 118 LEU N N 118 121.610 121.610 121.974 -0.364 25476 600 1 . 1 1 118 118 LEU HA H 118 5.480 5.480 5.354 0.126 25476 601 1 . 1 1 118 118 LEU C C 118 175.560 175.560 176.217 -0.657 25476 602 1 . 1 1 118 118 LEU CA C 118 53.840 53.840 54.332 -0.492 25476 603 1 . 1 1 118 118 LEU CB C 118 43.490 43.490 44.656 -1.166 25476 604 1 . 1 1 118 118 LEU H H 118 8.250 8.250 8.419 -0.169 25476 605 1 . 1 1 119 119 GLU N N 119 127.300 127.300 124.079 3.221 25476 606 1 . 1 1 119 119 GLU HA H 119 5.120 5.120 4.927 0.193 25476 607 1 . 1 1 119 119 GLU C C 119 171.510 171.510 174.137 -2.627 25476 608 1 . 1 1 119 119 GLU CA C 119 52.970 52.970 53.663 -0.692 25476 609 1 . 1 1 119 119 GLU CB C 119 32.870 32.870 32.307 0.563 25476 610 1 . 1 1 119 119 GLU H H 119 8.730 8.730 8.635 0.095 25476 611 1 . 1 1 120 120 PRO HA H 120 4.570 4.570 4.501 0.069 25476 612 1 . 1 1 120 120 PRO C C 120 176.420 176.420 176.526 -0.106 25476 613 1 . 1 1 120 120 PRO CA C 120 61.760 61.760 62.501 -0.741 25476 614 1 . 1 1 120 120 PRO CB C 120 32.390 32.390 32.459 -0.069 25476 615 1 . 1 1 121 121 SER N N 121 117.040 117.040 114.610 2.430 25476 616 1 . 1 1 121 121 SER HA H 121 4.060 4.060 4.464 -0.404 25476 617 1 . 1 1 121 121 SER C C 121 175.150 175.150 175.728 -0.578 25476 618 1 . 1 1 121 121 SER CA C 121 59.230 59.230 57.751 1.479 25476 619 1 . 1 1 121 121 SER CB C 121 62.970 62.970 64.430 -1.460 25476 620 1 . 1 1 121 121 SER H H 121 8.690 8.690 8.244 0.446 25476 621 1 . 1 1 122 122 ASP N N 122 124.140 124.140 123.722 0.418 25476 622 1 . 1 1 122 122 ASP HA H 122 4.370 4.370 4.505 -0.135 25476 623 1 . 1 1 122 122 ASP C C 122 176.240 176.240 176.216 0.024 25476 624 1 . 1 1 122 122 ASP CA C 122 57.100 57.100 56.209 0.891 25476 625 1 . 1 1 122 122 ASP CB C 122 40.190 40.190 40.845 -0.655 25476 626 1 . 1 1 122 122 ASP H H 122 8.830 8.830 8.845 -0.015 25476 627 1 . 1 1 123 123 ASP N N 123 115.720 115.720 117.689 -1.969 25476 628 1 . 1 1 123 123 ASP HA H 123 4.620 4.620 4.686 -0.066 25476 629 1 . 1 1 123 123 ASP C C 123 174.850 174.850 175.216 -0.366 25476 630 1 . 1 1 123 123 ASP CA C 123 52.790 52.790 53.911 -1.121 25476 631 1 . 1 1 123 123 ASP CB C 123 40.270 40.270 40.458 -0.189 25476 632 1 . 1 1 123 123 ASP H H 123 8.210 8.210 8.154 0.056 25476 633 1 . 1 1 124 124 PHE N N 124 122.440 122.440 120.885 1.555 25476 634 1 . 1 1 124 124 PHE HA H 124 5.030 5.030 4.655 0.375 25476 635 1 . 1 1 124 124 PHE C C 124 174.040 174.040 174.618 -0.578 25476 636 1 . 1 1 124 124 PHE CA C 124 56.040 56.040 57.655 -1.615 25476 637 1 . 1 1 124 124 PHE CB C 124 42.170 42.170 40.184 1.986 25476 638 1 . 1 1 124 124 PHE H H 124 8.060 8.060 7.636 0.424 25476 639 1 . 1 1 125 125 ASN N N 125 126.850 126.850 123.922 2.928 25476 640 1 . 1 1 125 125 ASN HA H 125 4.740 4.740 4.651 0.089 25476 641 1 . 1 1 125 125 ASN C C 125 175.070 175.070 174.029 1.041 25476 642 1 . 1 1 125 125 ASN CA C 125 53.430 53.430 52.941 0.489 25476 643 1 . 1 1 125 125 ASN CB C 125 39.730 39.730 39.585 0.145 25476 644 1 . 1 1 125 125 ASN H H 125 7.700 7.700 8.334 -0.634 25476 645 1 . 1 1 126 126 ASP N N 126 120.330 120.330 119.085 1.245 25476 646 1 . 1 1 126 126 ASP HA H 126 4.130 4.130 4.509 -0.379 25476 647 1 . 1 1 126 126 ASP C C 126 176.280 176.280 174.854 1.426 25476 648 1 . 1 1 126 126 ASP CA C 126 56.030 56.030 54.393 1.637 25476 649 1 . 1 1 126 126 ASP CB C 126 39.100 39.100 41.073 -1.973 25476 650 1 . 1 1 126 126 ASP H H 126 7.300 7.300 8.119 -0.819 25476 651 1 . 1 1 127 127 GLU N N 127 127.840 127.840 120.273 7.567 25476 652 1 . 1 1 127 127 GLU HA H 127 4.360 4.360 4.436 -0.076 25476 653 1 . 1 1 127 127 GLU CA C 127 55.470 55.470 54.958 0.513 25476 654 1 . 1 1 127 127 GLU H H 127 8.320 8.320 8.136 0.184 25476 655 1 . 1 1 128 128 PRO HA H 128 4.670 4.670 4.523 0.147 25476 656 1 . 1 1 128 128 PRO C C 128 176.010 176.010 176.432 -0.422 25476 657 1 . 1 1 128 128 PRO CA C 128 63.630 63.630 62.626 1.004 25476 658 1 . 1 1 128 128 PRO CB C 128 31.940 31.940 32.507 -0.567 25476 659 1 . 1 1 129 129 VAL N N 129 122.940 122.940 118.613 4.327 25476 660 1 . 1 1 129 129 VAL HA H 129 3.990 3.990 3.959 0.031 25476 661 1 . 1 1 129 129 VAL C C 129 173.650 173.650 175.835 -2.185 25476 662 1 . 1 1 129 129 VAL CA C 129 60.980 60.980 62.362 -1.382 25476 663 1 . 1 1 129 129 VAL CB C 129 32.130 32.130 32.403 -0.273 25476 664 1 . 1 1 129 129 VAL H H 129 7.990 7.990 8.116 -0.126 25476 665 1 . 1 1 130 130 LYS N N 130 124.620 124.620 127.096 -2.476 25476 666 1 . 1 1 130 130 LYS HA H 130 4.510 4.510 4.252 0.258 25476 667 1 . 1 1 130 130 LYS C C 130 174.900 174.900 176.536 -1.636 25476 668 1 . 1 1 130 130 LYS CA C 130 53.150 53.150 56.139 -2.989 25476 669 1 . 1 1 130 130 LYS CB C 130 34.510 34.510 31.648 2.862 25476 670 1 . 1 1 130 130 LYS H H 130 8.240 8.240 8.446 -0.206 25476 671 1 . 1 1 131 131 LEU HA H 131 3.800 3.800 4.292 -0.492 25476 672 1 . 1 1 131 131 LEU C C 131 178.400 178.400 178.012 0.388 25476 673 1 . 1 1 131 131 LEU CA C 131 56.050 56.050 56.550 -0.500 25476 674 1 . 1 1 131 131 LEU CB C 131 40.800 40.800 42.142 -1.342 25476 675 1 . 1 1 132 132 SER N N 132 115.550 115.550 114.121 1.429 25476 676 1 . 1 1 132 132 SER HA H 132 4.610 4.610 4.489 0.121 25476 677 1 . 1 1 132 132 SER C C 132 172.970 172.970 173.990 -1.020 25476 678 1 . 1 1 132 132 SER CA C 132 58.620 58.620 57.537 1.083 25476 679 1 . 1 1 132 132 SER CB C 132 63.310 63.310 62.099 1.211 25476 680 1 . 1 1 132 132 SER H H 132 9.070 9.070 8.102 0.968 25476 stop_ save_