data_18551 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18551 _Entry.PDB_ID 2LV2 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 18551 _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 11 11 MET HA H 11 4.440 4.440 4.479 -0.039 18551 2 1 1 . 1 1 11 11 MET C C 11 176.600 176.600 176.535 0.065 18551 3 1 1 . 1 1 11 11 MET CA C 11 55.600 55.600 56.071 -0.471 18551 4 1 1 . 1 1 11 11 MET CB C 11 32.700 32.700 32.481 0.219 18551 5 1 1 . 1 1 12 12 GLY N N 12 110.000 110.000 111.870 -1.870 18551 6 1 1 . 1 1 12 12 GLY C C 12 173.900 173.900 172.805 1.095 18551 7 1 1 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.872 0.428 18551 8 1 1 . 1 1 13 13 ASP N N 13 120.500 120.500 121.076 -0.576 18551 9 1 1 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.447 0.193 18551 10 1 1 . 1 1 13 13 ASP C C 13 176.900 176.900 175.177 1.723 18551 11 1 1 . 1 1 13 13 ASP CA C 13 54.500 54.500 54.719 -0.219 18551 12 1 1 . 1 1 13 13 ASP CB C 13 41.400 41.400 40.502 0.898 18551 13 1 1 . 1 1 14 14 GLY N N 14 109.300 109.300 108.791 0.509 18551 14 1 1 . 1 1 14 14 GLY C C 14 174.500 174.500 173.220 1.280 18551 15 1 1 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.920 0.580 18551 16 1 1 . 1 1 15 15 GLU N N 15 120.600 120.600 122.554 -1.954 18551 17 1 1 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.811 -0.531 18551 18 1 1 . 1 1 15 15 GLU C C 15 177.200 177.200 175.637 1.563 18551 19 1 1 . 1 1 15 15 GLU CA C 15 56.800 56.800 56.368 0.432 18551 20 1 1 . 1 1 15 15 GLU CB C 15 30.100 30.100 30.898 -0.798 18551 21 1 1 . 1 1 16 16 GLY N N 16 109.900 109.900 110.284 -0.384 18551 22 1 1 . 1 1 16 16 GLY C C 16 174.100 174.100 172.881 1.219 18551 23 1 1 . 1 1 16 16 GLY CA C 16 45.500 45.500 45.014 0.486 18551 24 1 1 . 1 1 17 17 ALA N N 17 123.500 123.500 121.741 1.759 18551 25 1 1 . 1 1 17 17 ALA HA H 17 4.300 4.300 5.469 -1.169 18551 26 1 1 . 1 1 17 17 ALA C C 17 178.300 178.300 177.611 0.689 18551 27 1 1 . 1 1 17 17 ALA CA C 17 52.800 52.800 52.590 0.210 18551 28 1 1 . 1 1 17 17 ALA CB C 17 19.300 19.300 20.666 -1.366 18551 29 1 1 . 1 1 18 18 GLY N N 18 108.000 108.000 109.091 -1.091 18551 30 1 1 . 1 1 18 18 GLY C C 18 174.400 174.400 174.012 0.388 18551 31 1 1 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.011 0.389 18551 32 1 1 . 1 1 19 19 VAL N N 19 119.100 119.100 119.205 -0.105 18551 33 1 1 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.464 -0.374 18551 34 1 1 . 1 1 19 19 VAL C C 19 176.400 176.400 175.184 1.216 18551 35 1 1 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.691 0.810 18551 36 1 1 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.594 -0.094 18551 37 1 1 . 1 1 20 20 LEU N N 20 125.100 125.100 117.648 7.452 18551 38 1 1 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.705 -0.375 18551 39 1 1 . 1 1 20 20 LEU C C 20 177.900 177.900 176.664 1.236 18551 40 1 1 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.578 0.822 18551 41 1 1 . 1 1 20 20 LEU CB C 20 42.200 42.200 43.311 -1.111 18551 42 1 1 . 1 1 21 21 GLY N N 21 109.300 109.300 111.350 -2.050 18551 43 1 1 . 1 1 21 21 GLY C C 21 174.200 174.200 174.494 -0.294 18551 44 1 1 . 1 1 21 21 GLY CA C 21 45.400 45.400 45.492 -0.092 18551 45 1 1 . 1 1 22 22 LEU N N 22 121.600 121.600 118.605 2.995 18551 46 1 1 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.824 -0.454 18551 47 1 1 . 1 1 22 22 LEU C C 22 177.600 177.600 176.552 1.048 18551 48 1 1 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.211 0.989 18551 49 1 1 . 1 1 22 22 LEU CB C 22 42.500 42.500 44.435 -1.935 18551 50 1 1 . 1 1 23 23 SER N N 23 116.500 116.500 119.262 -2.762 18551 51 1 1 . 1 1 23 23 SER HA H 23 4.440 4.440 4.198 0.242 18551 52 1 1 . 1 1 23 23 SER C C 23 174.300 174.300 174.676 -0.376 18551 53 1 1 . 1 1 23 23 SER CA C 23 58.300 58.300 60.026 -1.726 18551 54 1 1 . 1 1 23 23 SER CB C 23 63.800 63.800 63.074 0.726 18551 55 1 1 . 1 1 24 24 ALA N N 24 126.000 126.000 123.867 2.133 18551 56 1 1 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.072 0.278 18551 57 1 1 . 1 1 24 24 ALA C C 24 177.700 177.700 177.324 0.376 18551 58 1 1 . 1 1 24 24 ALA CA C 24 52.700 52.700 52.416 0.284 18551 59 1 1 . 1 1 24 24 ALA CB C 24 19.400 19.400 18.396 1.004 18551 60 1 1 . 1 1 25 25 SER N N 25 114.700 114.700 113.825 0.875 18551 61 1 1 . 1 1 25 25 SER HA H 25 4.430 4.430 4.223 0.207 18551 62 1 1 . 1 1 25 25 SER C C 25 174.200 174.200 172.725 1.475 18551 63 1 1 . 1 1 25 25 SER CA C 25 58.200 58.200 58.175 0.025 18551 64 1 1 . 1 1 25 25 SER CB C 25 63.900 63.900 63.514 0.386 18551 65 1 1 . 1 1 26 26 ALA N N 26 125.900 125.900 123.037 2.863 18551 66 1 1 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.433 -0.093 18551 67 1 1 . 1 1 26 26 ALA C C 26 177.400 177.400 175.412 1.988 18551 68 1 1 . 1 1 26 26 ALA CA C 26 52.500 52.500 51.666 0.834 18551 69 1 1 . 1 1 26 26 ALA CB C 26 19.400 19.400 20.752 -1.352 18551 70 1 1 . 1 1 27 27 GLU N N 27 120.100 120.100 121.394 -1.294 18551 71 1 1 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.171 0.069 18551 72 1 1 . 1 1 27 27 GLU C C 27 175.400 175.400 175.617 -0.217 18551 73 1 1 . 1 1 27 27 GLU CA C 27 56.200 56.200 57.561 -1.361 18551 74 1 1 . 1 1 27 27 GLU CB C 27 30.700 30.700 28.116 2.583 18551 75 1 1 . 1 1 28 28 CYS N N 28 119.400 119.400 120.824 -1.424 18551 76 1 1 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.504 0.086 18551 77 1 1 . 1 1 28 28 CYS C C 28 173.000 173.000 174.322 -1.322 18551 78 1 1 . 1 1 28 28 CYS CA C 28 57.900 57.900 59.083 -1.183 18551 79 1 1 . 1 1 28 28 CYS CB C 28 28.700 28.700 30.261 -1.561 18551 80 1 1 . 1 1 29 29 HIS N N 29 124.500 124.500 118.875 5.625 18551 81 1 1 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.898 -0.258 18551 82 1 1 . 1 1 29 29 HIS C C 29 174.700 174.700 173.135 1.565 18551 83 1 1 . 1 1 29 29 HIS CA C 29 55.300 55.300 55.258 0.042 18551 84 1 1 . 1 1 29 29 HIS CB C 29 32.400 32.400 31.729 0.671 18551 85 1 1 . 1 1 30 30 LEU N N 30 123.900 123.900 123.314 0.586 18551 86 1 1 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.135 -0.065 18551 87 1 1 . 1 1 30 30 LEU C C 30 178.500 178.500 177.092 1.408 18551 88 1 1 . 1 1 30 30 LEU CA C 30 53.800 53.800 52.911 0.889 18551 89 1 1 . 1 1 30 30 LEU CB C 30 43.700 43.700 44.898 -1.198 18551 90 1 1 . 1 1 31 31 CYS N N 31 126.700 126.700 126.455 0.245 18551 91 1 1 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.727 0.083 18551 92 1 1 . 1 1 31 31 CYS C C 31 53.800 53.800 175.221 -121.421 18551 93 1 1 . 1 1 31 31 CYS CA C 31 57.100 57.100 56.832 0.268 18551 94 1 1 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.576 3.724 18551 95 1 1 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.263 0.197 18551 96 1 1 . 1 1 32 32 PRO C C 32 176.000 176.000 176.384 -0.384 18551 97 1 1 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.598 -1.598 18551 98 1 1 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.772 0.428 18551 99 1 1 . 1 1 33 33 VAL N N 33 122.000 122.000 113.969 8.031 18551 100 1 1 . 1 1 33 33 VAL HA H 33 3.810 3.810 4.019 -0.209 18551 101 1 1 . 1 1 33 33 VAL C C 33 176.700 176.700 175.714 0.986 18551 102 1 1 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.619 2.181 18551 103 1 1 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.478 0.222 18551 104 1 1 . 1 1 34 34 CYS N N 34 117.100 117.100 118.813 -1.713 18551 105 1 1 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.730 0.440 18551 106 1 1 . 1 1 34 34 CYS C C 34 176.800 176.800 174.963 1.837 18551 107 1 1 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.780 1.720 18551 108 1 1 . 1 1 34 34 CYS CB C 34 32.700 32.700 28.786 3.914 18551 109 1 1 . 1 1 35 35 GLY N N 35 112.500 112.500 110.832 1.668 18551 110 1 1 . 1 1 35 35 GLY C C 35 173.200 173.200 173.617 -0.417 18551 111 1 1 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.173 0.227 18551 112 1 1 . 1 1 36 36 GLU N N 36 122.500 122.500 124.538 -2.038 18551 113 1 1 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.136 -0.146 18551 114 1 1 . 1 1 36 36 GLU C C 36 173.800 173.800 174.495 -0.695 18551 115 1 1 . 1 1 36 36 GLU CA C 36 57.900 57.900 54.769 3.131 18551 116 1 1 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.464 -0.964 18551 117 1 1 . 1 1 37 37 SER N N 37 116.300 116.300 120.845 -4.545 18551 118 1 1 . 1 1 37 37 SER HA H 37 4.820 4.820 4.353 0.467 18551 119 1 1 . 1 1 37 37 SER C C 37 173.300 173.300 173.921 -0.621 18551 120 1 1 . 1 1 37 37 SER CA C 37 57.200 57.200 58.935 -1.735 18551 121 1 1 . 1 1 37 37 SER CB C 37 65.300 65.300 62.839 2.461 18551 122 1 1 . 1 1 38 38 PHE N N 38 120.000 120.000 125.474 -5.474 18551 123 1 1 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.825 -0.175 18551 124 1 1 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.034 0.366 18551 125 1 1 . 1 1 38 38 PHE CB C 38 44.000 44.000 40.956 3.044 18551 126 1 1 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.334 0.256 18551 127 1 1 . 1 1 39 39 ALA C C 39 176.700 176.700 177.386 -0.686 18551 128 1 1 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.685 -0.985 18551 129 1 1 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.408 -0.008 18551 130 1 1 . 1 1 40 40 SER N N 40 107.500 107.500 114.275 -6.775 18551 131 1 1 . 1 1 40 40 SER HA H 40 4.560 4.560 4.499 0.061 18551 132 1 1 . 1 1 40 40 SER C C 40 173.400 173.400 175.483 -2.083 18551 133 1 1 . 1 1 40 40 SER CA C 40 56.100 56.100 57.990 -1.890 18551 134 1 1 . 1 1 40 40 SER CB C 40 66.400 66.400 64.163 2.237 18551 135 1 1 . 1 1 41 41 LYS N N 41 124.400 124.400 126.985 -2.585 18551 136 1 1 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.686 -0.246 18551 137 1 1 . 1 1 41 41 LYS C C 41 178.600 178.600 178.410 0.190 18551 138 1 1 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.504 -0.304 18551 139 1 1 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.173 -0.073 18551 140 1 1 . 1 1 42 42 GLY N N 42 105.900 105.900 106.974 -1.074 18551 141 1 1 . 1 1 42 42 GLY C C 42 176.700 176.700 175.978 0.722 18551 142 1 1 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.503 0.397 18551 143 1 1 . 1 1 43 43 ALA N N 43 123.500 123.500 123.459 0.041 18551 144 1 1 . 1 1 43 43 ALA HA H 43 4.050 4.050 4.011 0.039 18551 145 1 1 . 1 1 43 43 ALA C C 43 179.700 179.700 178.880 0.820 18551 146 1 1 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.335 0.365 18551 147 1 1 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.227 0.572 18551 148 1 1 . 1 1 44 44 GLN N N 44 121.800 121.800 118.388 3.412 18551 149 1 1 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.468 -0.868 18551 150 1 1 . 1 1 44 44 GLN C C 44 177.500 177.500 177.999 -0.499 18551 151 1 1 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.711 0.689 18551 152 1 1 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.509 -0.909 18551 153 1 1 . 1 1 45 45 GLU N N 45 120.200 120.200 119.003 1.197 18551 154 1 1 . 1 1 45 45 GLU HA H 45 3.770 3.770 3.949 -0.179 18551 155 1 1 . 1 1 45 45 GLU C C 45 179.000 179.000 178.772 0.228 18551 156 1 1 . 1 1 45 45 GLU CA C 45 59.900 59.900 59.150 0.750 18551 157 1 1 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.484 -0.084 18551 158 1 1 . 1 1 46 46 ARG N N 46 119.900 119.900 118.391 1.509 18551 159 1 1 . 1 1 46 46 ARG HA H 46 3.900 3.900 3.982 -0.082 18551 160 1 1 . 1 1 46 46 ARG C C 46 177.800 177.800 178.335 -0.535 18551 161 1 1 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.050 0.550 18551 162 1 1 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.667 0.433 18551 163 1 1 . 1 1 47 47 HIS N N 47 118.200 118.200 119.562 -1.362 18551 164 1 1 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.430 -0.290 18551 165 1 1 . 1 1 47 47 HIS C C 47 176.300 176.300 177.270 -0.970 18551 166 1 1 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.677 -0.077 18551 167 1 1 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.320 -2.420 18551 168 1 1 . 1 1 48 48 LEU N N 48 120.000 120.000 117.980 2.020 18551 169 1 1 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.321 -0.511 18551 170 1 1 . 1 1 48 48 LEU C C 48 178.500 178.500 178.161 0.339 18551 171 1 1 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.568 1.633 18551 172 1 1 . 1 1 48 48 LEU CB C 48 42.700 42.700 42.338 0.362 18551 173 1 1 . 1 1 49 49 ARG N N 49 115.400 115.400 116.563 -1.163 18551 174 1 1 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.023 -0.123 18551 175 1 1 . 1 1 49 49 ARG C C 49 177.600 177.600 177.778 -0.178 18551 176 1 1 . 1 1 49 49 ARG CA C 49 58.700 58.700 57.979 0.721 18551 177 1 1 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.021 0.479 18551 178 1 1 . 1 1 50 50 LEU N N 50 117.200 117.200 117.630 -0.430 18551 179 1 1 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.120 0.080 18551 180 1 1 . 1 1 50 50 LEU C C 50 179.000 179.000 178.024 0.976 18551 181 1 1 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.583 0.217 18551 182 1 1 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.246 0.454 18551 183 1 1 . 1 1 51 51 LEU N N 51 117.800 117.800 116.530 1.270 18551 184 1 1 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.210 0.060 18551 185 1 1 . 1 1 51 51 LEU C C 51 178.100 178.100 178.476 -0.376 18551 186 1 1 . 1 1 51 51 LEU CA C 51 55.000 55.000 56.165 -1.165 18551 187 1 1 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.538 -1.338 18551 188 1 1 . 1 1 52 52 HIS N N 52 115.300 115.300 118.010 -2.710 18551 189 1 1 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.611 0.749 18551 190 1 1 . 1 1 52 52 HIS C C 52 175.000 175.000 174.208 0.792 18551 191 1 1 . 1 1 52 52 HIS CA C 52 52.800 52.800 55.076 -2.276 18551 192 1 1 . 1 1 52 52 HIS CB C 52 28.900 28.900 28.280 0.620 18551 193 1 1 . 1 1 53 53 ALA N N 53 122.100 122.100 122.259 -0.159 18551 194 1 1 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.186 -0.116 18551 195 1 1 . 1 1 53 53 ALA C C 53 178.300 178.300 177.214 1.086 18551 196 1 1 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.081 2.519 18551 197 1 1 . 1 1 53 53 ALA CB C 53 18.600 18.600 19.114 -0.514 18551 198 1 1 . 1 1 54 54 ALA N N 54 118.200 118.200 120.172 -1.972 18551 199 1 1 . 1 1 54 54 ALA HA H 54 4.290 4.290 3.940 0.350 18551 200 1 1 . 1 1 54 54 ALA C C 54 177.700 177.700 179.148 -1.448 18551 201 1 1 . 1 1 54 54 ALA CA C 54 52.800 52.800 54.279 -1.479 18551 202 1 1 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.660 0.340 18551 203 1 1 . 1 1 55 55 GLN N N 55 118.200 118.200 114.855 3.345 18551 204 1 1 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.287 0.093 18551 205 1 1 . 1 1 55 55 GLN C C 55 173.700 173.700 176.033 -2.333 18551 206 1 1 . 1 1 55 55 GLN CA C 55 55.500 55.500 56.020 -0.520 18551 207 1 1 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.677 0.623 18551 208 1 1 . 1 1 56 56 VAL N N 56 115.300 115.300 113.875 1.425 18551 209 1 1 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.315 0.095 18551 210 1 1 . 1 1 56 56 VAL C C 56 174.500 174.500 174.546 -0.046 18551 211 1 1 . 1 1 56 56 VAL CA C 56 60.900 60.900 59.909 0.991 18551 212 1 1 . 1 1 56 56 VAL CB C 56 33.900 33.900 32.447 1.452 18551 213 1 1 . 1 1 57 57 PHE N N 57 122.700 122.700 122.647 0.053 18551 214 1 1 . 1 1 57 57 PHE HA H 57 4.830 4.830 4.989 -0.159 18551 215 1 1 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.062 0.138 18551 216 1 1 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.106 -0.106 18551 217 1 1 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.571 0.149 18551 218 1 1 . 1 1 58 58 PRO C C 58 175.700 175.700 176.070 -0.370 18551 219 1 1 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.290 -0.190 18551 220 1 1 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.414 0.886 18551 221 1 1 . 1 1 59 59 CYS N N 59 125.200 125.200 126.302 -1.102 18551 222 1 1 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.584 -0.164 18551 223 1 1 . 1 1 59 59 CYS C C 59 176.300 176.300 176.521 -0.221 18551 224 1 1 . 1 1 59 59 CYS CA C 59 60.800 60.800 58.370 2.430 18551 225 1 1 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.535 1.965 18551 226 1 1 . 1 1 60 60 LYS N N 60 126.400 126.400 129.496 -3.096 18551 227 1 1 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.983 0.177 18551 228 1 1 . 1 1 60 60 LYS C C 60 176.800 176.800 176.543 0.257 18551 229 1 1 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.831 -1.731 18551 230 1 1 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.613 0.787 18551 231 1 1 . 1 1 61 61 TYR N N 61 121.900 121.900 117.317 4.583 18551 232 1 1 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.405 0.105 18551 233 1 1 . 1 1 61 61 TYR C C 61 174.300 174.300 176.021 -1.721 18551 234 1 1 . 1 1 61 61 TYR CA C 61 57.700 57.700 59.114 -1.414 18551 235 1 1 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.563 -0.563 18551 236 1 1 . 1 1 62 62 CYS N N 62 122.800 122.800 115.834 6.966 18551 237 1 1 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.939 0.131 18551 238 1 1 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.503 2.697 18551 239 1 1 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.112 0.488 18551 240 1 1 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.262 0.308 18551 241 1 1 . 1 1 63 63 PRO C C 63 176.500 176.500 176.909 -0.409 18551 242 1 1 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.497 0.603 18551 243 1 1 . 1 1 63 63 PRO CB C 63 31.900 31.900 31.896 0.004 18551 244 1 1 . 1 1 64 64 ALA N N 64 125.400 125.400 124.350 1.050 18551 245 1 1 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.060 -0.030 18551 246 1 1 . 1 1 64 64 ALA C C 64 176.100 176.100 176.042 0.058 18551 247 1 1 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.660 2.240 18551 248 1 1 . 1 1 64 64 ALA CB C 64 20.200 20.200 18.049 2.151 18551 249 1 1 . 1 1 65 65 THR N N 65 113.200 113.200 120.067 -6.867 18551 250 1 1 . 1 1 65 65 THR HA H 65 4.440 4.440 4.286 0.154 18551 251 1 1 . 1 1 65 65 THR C C 65 171.400 171.400 173.483 -2.083 18551 252 1 1 . 1 1 65 65 THR CA C 65 61.400 61.400 61.838 -0.438 18551 253 1 1 . 1 1 65 65 THR CB C 65 71.600 71.600 69.390 2.210 18551 254 1 1 . 1 1 66 66 PHE N N 66 120.900 120.900 125.821 -4.921 18551 255 1 1 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.781 -0.361 18551 256 1 1 . 1 1 66 66 PHE CA C 66 57.200 57.200 57.353 -0.153 18551 257 1 1 . 1 1 66 66 PHE CB C 66 42.700 42.700 40.982 1.718 18551 258 1 1 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.835 0.445 18551 259 1 1 . 1 1 67 67 TYR C C 67 174.800 174.800 175.272 -0.472 18551 260 1 1 . 1 1 67 67 TYR CA C 67 57.800 57.800 58.507 -0.707 18551 261 1 1 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.937 -0.437 18551 262 1 1 . 1 1 68 68 SER N N 68 112.800 112.800 113.685 -0.885 18551 263 1 1 . 1 1 68 68 SER HA H 68 4.440 4.440 4.747 -0.307 18551 264 1 1 . 1 1 68 68 SER C C 68 172.200 172.200 174.127 -1.927 18551 265 1 1 . 1 1 68 68 SER CA C 68 57.000 57.000 57.082 -0.082 18551 266 1 1 . 1 1 68 68 SER CB C 68 66.400 66.400 65.340 1.060 18551 267 1 1 . 1 1 69 69 SER N N 69 117.800 117.800 118.502 -0.702 18551 268 1 1 . 1 1 69 69 SER HA H 69 3.630 3.630 3.364 0.266 18551 269 1 1 . 1 1 69 69 SER CA C 69 61.900 61.900 61.316 0.584 18551 270 1 1 . 1 1 69 69 SER CB C 69 60.900 60.900 61.305 -0.405 18551 271 1 1 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.256 0.004 18551 272 1 1 . 1 1 70 70 PRO C C 70 179.000 179.000 178.787 0.213 18551 273 1 1 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.363 0.337 18551 274 1 1 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.226 -0.226 18551 275 1 1 . 1 1 71 71 GLY N N 71 105.000 105.000 105.904 -0.904 18551 276 1 1 . 1 1 71 71 GLY C C 71 175.700 175.700 175.768 -0.068 18551 277 1 1 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.414 0.286 18551 278 1 1 . 1 1 72 72 LEU N N 72 123.600 123.600 121.077 2.523 18551 279 1 1 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.893 -0.403 18551 280 1 1 . 1 1 72 72 LEU C C 72 177.900 177.900 178.721 -0.821 18551 281 1 1 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.623 0.177 18551 282 1 1 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.596 -1.296 18551 283 1 1 . 1 1 73 73 THR N N 73 117.100 117.100 112.624 4.476 18551 284 1 1 . 1 1 73 73 THR HA H 73 3.710 3.710 4.073 -0.363 18551 285 1 1 . 1 1 73 73 THR C C 73 176.100 176.100 176.691 -0.591 18551 286 1 1 . 1 1 73 73 THR CA C 73 67.300 67.300 64.956 2.344 18551 287 1 1 . 1 1 73 73 THR CB C 73 68.700 68.700 68.333 0.367 18551 288 1 1 . 1 1 74 74 ARG N N 74 120.200 120.200 120.322 -0.122 18551 289 1 1 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.988 -0.008 18551 290 1 1 . 1 1 74 74 ARG C C 74 178.500 178.500 178.743 -0.243 18551 291 1 1 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.406 0.194 18551 292 1 1 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.744 0.356 18551 293 1 1 . 1 1 75 75 HIS N N 75 118.700 118.700 119.979 -1.279 18551 294 1 1 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.467 -0.197 18551 295 1 1 . 1 1 75 75 HIS C C 75 176.900 176.900 177.214 -0.314 18551 296 1 1 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.909 -0.309 18551 297 1 1 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.684 -1.784 18551 298 1 1 . 1 1 76 76 ILE N N 76 121.600 121.600 118.102 3.498 18551 299 1 1 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.964 -0.544 18551 300 1 1 . 1 1 76 76 ILE C C 76 177.800 177.800 177.836 -0.036 18551 301 1 1 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.040 1.261 18551 302 1 1 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.814 0.186 18551 303 1 1 . 1 1 77 77 ASN N N 77 115.900 115.900 117.346 -1.446 18551 304 1 1 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.639 -0.369 18551 305 1 1 . 1 1 77 77 ASN C C 77 176.400 176.400 176.573 -0.173 18551 306 1 1 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.960 -0.160 18551 307 1 1 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.449 -0.049 18551 308 1 1 . 1 1 78 78 LYS N N 78 116.200 116.200 118.743 -2.543 18551 309 1 1 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.294 -0.124 18551 310 1 1 . 1 1 78 78 LYS C C 78 178.400 178.400 177.257 1.143 18551 311 1 1 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.300 -0.201 18551 312 1 1 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.601 0.399 18551 313 1 1 . 1 1 79 79 CYS N N 79 113.900 113.900 118.320 -4.420 18551 314 1 1 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.397 -0.307 18551 315 1 1 . 1 1 79 79 CYS C C 79 174.200 174.200 174.472 -0.272 18551 316 1 1 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.683 2.017 18551 317 1 1 . 1 1 79 79 CYS CB C 79 28.000 28.000 28.148 -0.148 18551 318 1 1 . 1 1 80 80 HIS N N 80 117.000 117.000 117.710 -0.710 18551 319 1 1 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.825 0.455 18551 320 1 1 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.999 -2.299 18551 321 1 1 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.497 -2.797 18551 322 1 1 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.945 -0.625 18551 323 1 1 . 1 1 81 81 PRO C C 81 178.100 178.100 176.994 1.106 18551 324 1 1 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.746 0.954 18551 325 1 1 . 1 1 81 81 PRO CB C 81 31.500 31.500 31.867 -0.367 18551 326 1 1 . 1 1 82 82 SER N N 82 114.100 114.100 112.714 1.386 18551 327 1 1 . 1 1 82 82 SER HA H 82 4.340 4.340 4.361 -0.021 18551 328 1 1 . 1 1 82 82 SER C C 82 174.900 174.900 174.711 0.189 18551 329 1 1 . 1 1 82 82 SER CA C 82 59.000 59.000 58.448 0.552 18551 330 1 1 . 1 1 82 82 SER CB C 82 63.300 63.300 63.572 -0.272 18551 331 1 1 . 1 1 83 83 GLU N N 83 120.600 120.600 123.004 -2.404 18551 332 1 1 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.117 0.113 18551 333 1 1 . 1 1 83 83 GLU C C 83 176.300 176.300 175.294 1.006 18551 334 1 1 . 1 1 83 83 GLU CA C 83 56.100 56.100 55.395 0.705 18551 335 1 1 . 1 1 83 83 GLU CB C 83 29.400 29.400 27.907 1.493 18551 336 1 1 . 1 1 84 84 ASN N N 84 119.100 119.100 119.763 -0.663 18551 337 1 1 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.920 -0.210 18551 338 1 1 . 1 1 84 84 ASN C C 84 174.100 174.100 174.831 -0.731 18551 339 1 1 . 1 1 84 84 ASN CA C 84 53.200 53.200 52.900 0.300 18551 340 1 1 . 1 1 84 84 ASN CB C 84 39.000 39.000 39.562 -0.562 18551 341 1 2 . 1 1 11 11 MET HA H 11 4.440 4.440 4.357 0.083 18551 342 1 2 . 1 1 11 11 MET C C 11 176.600 176.600 177.256 -0.656 18551 343 1 2 . 1 1 11 11 MET CA C 11 55.600 55.600 55.586 0.014 18551 344 1 2 . 1 1 11 11 MET CB C 11 32.700 32.700 32.453 0.248 18551 345 1 2 . 1 1 12 12 GLY N N 12 110.000 110.000 114.089 -4.089 18551 346 1 2 . 1 1 12 12 GLY C C 12 173.900 173.900 173.442 0.458 18551 347 1 2 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.416 0.884 18551 348 1 2 . 1 1 13 13 ASP N N 13 120.500 120.500 122.283 -1.783 18551 349 1 2 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.752 -0.112 18551 350 1 2 . 1 1 13 13 ASP C C 13 176.900 176.900 176.068 0.832 18551 351 1 2 . 1 1 13 13 ASP CA C 13 54.500 54.500 54.962 -0.462 18551 352 1 2 . 1 1 13 13 ASP CB C 13 41.400 41.400 41.598 -0.198 18551 353 1 2 . 1 1 14 14 GLY N N 14 109.300 109.300 110.745 -1.445 18551 354 1 2 . 1 1 14 14 GLY C C 14 174.500 174.500 173.032 1.468 18551 355 1 2 . 1 1 14 14 GLY CA C 14 45.500 45.500 45.177 0.323 18551 356 1 2 . 1 1 15 15 GLU N N 15 120.600 120.600 117.517 3.083 18551 357 1 2 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.936 -0.656 18551 358 1 2 . 1 1 15 15 GLU C C 15 177.200 177.200 175.119 2.081 18551 359 1 2 . 1 1 15 15 GLU CA C 15 56.800 56.800 55.422 1.378 18551 360 1 2 . 1 1 15 15 GLU CB C 15 30.100 30.100 31.784 -1.684 18551 361 1 2 . 1 1 16 16 GLY N N 16 109.900 109.900 108.723 1.177 18551 362 1 2 . 1 1 16 16 GLY C C 16 174.100 174.100 172.943 1.157 18551 363 1 2 . 1 1 16 16 GLY CA C 16 45.500 45.500 45.715 -0.215 18551 364 1 2 . 1 1 17 17 ALA N N 17 123.500 123.500 125.800 -2.300 18551 365 1 2 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.615 -0.315 18551 366 1 2 . 1 1 17 17 ALA C C 17 178.300 178.300 178.178 0.122 18551 367 1 2 . 1 1 17 17 ALA CA C 17 52.800 52.800 51.915 0.885 18551 368 1 2 . 1 1 17 17 ALA CB C 17 19.300 19.300 20.031 -0.731 18551 369 1 2 . 1 1 18 18 GLY N N 18 108.000 108.000 112.443 -4.443 18551 370 1 2 . 1 1 18 18 GLY C C 18 174.400 174.400 174.389 0.011 18551 371 1 2 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.611 0.789 18551 372 1 2 . 1 1 19 19 VAL N N 19 119.100 119.100 122.696 -3.596 18551 373 1 2 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.108 -0.018 18551 374 1 2 . 1 1 19 19 VAL C C 19 176.400 176.400 175.639 0.761 18551 375 1 2 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.803 0.697 18551 376 1 2 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.462 0.038 18551 377 1 2 . 1 1 20 20 LEU N N 20 125.100 125.100 125.950 -0.850 18551 378 1 2 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.544 -0.214 18551 379 1 2 . 1 1 20 20 LEU C C 20 177.900 177.900 176.697 1.203 18551 380 1 2 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.632 0.768 18551 381 1 2 . 1 1 20 20 LEU CB C 20 42.200 42.200 41.243 0.957 18551 382 1 2 . 1 1 21 21 GLY N N 21 109.300 109.300 111.143 -1.843 18551 383 1 2 . 1 1 21 21 GLY C C 21 174.200 174.200 174.509 -0.309 18551 384 1 2 . 1 1 21 21 GLY CA C 21 45.400 45.400 45.537 -0.137 18551 385 1 2 . 1 1 22 22 LEU N N 22 121.600 121.600 118.566 3.034 18551 386 1 2 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.506 -0.136 18551 387 1 2 . 1 1 22 22 LEU C C 22 177.600 177.600 176.853 0.747 18551 388 1 2 . 1 1 22 22 LEU CA C 22 55.200 55.200 55.174 0.026 18551 389 1 2 . 1 1 22 22 LEU CB C 22 42.500 42.500 41.746 0.754 18551 390 1 2 . 1 1 23 23 SER N N 23 116.500 116.500 116.689 -0.189 18551 391 1 2 . 1 1 23 23 SER HA H 23 4.440 4.440 4.658 -0.218 18551 392 1 2 . 1 1 23 23 SER C C 23 174.300 174.300 173.689 0.611 18551 393 1 2 . 1 1 23 23 SER CA C 23 58.300 58.300 57.278 1.022 18551 394 1 2 . 1 1 23 23 SER CB C 23 63.800 63.800 62.930 0.870 18551 395 1 2 . 1 1 24 24 ALA N N 24 126.000 126.000 126.806 -0.806 18551 396 1 2 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.557 -0.207 18551 397 1 2 . 1 1 24 24 ALA C C 24 177.700 177.700 176.301 1.399 18551 398 1 2 . 1 1 24 24 ALA CA C 24 52.700 52.700 52.514 0.186 18551 399 1 2 . 1 1 24 24 ALA CB C 24 19.400 19.400 20.063 -0.663 18551 400 1 2 . 1 1 25 25 SER N N 25 114.700 114.700 116.973 -2.273 18551 401 1 2 . 1 1 25 25 SER HA H 25 4.430 4.430 4.490 -0.060 18551 402 1 2 . 1 1 25 25 SER C C 25 174.200 174.200 174.376 -0.176 18551 403 1 2 . 1 1 25 25 SER CA C 25 58.200 58.200 57.933 0.267 18551 404 1 2 . 1 1 25 25 SER CB C 25 63.900 63.900 63.369 0.531 18551 405 1 2 . 1 1 26 26 ALA N N 26 125.900 125.900 123.546 2.354 18551 406 1 2 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.093 0.247 18551 407 1 2 . 1 1 26 26 ALA C C 26 177.400 177.400 176.399 1.001 18551 408 1 2 . 1 1 26 26 ALA CA C 26 52.500 52.500 52.542 -0.042 18551 409 1 2 . 1 1 26 26 ALA CB C 26 19.400 19.400 18.937 0.463 18551 410 1 2 . 1 1 27 27 GLU N N 27 120.100 120.100 117.969 2.131 18551 411 1 2 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.347 -0.107 18551 412 1 2 . 1 1 27 27 GLU C C 27 175.400 175.400 175.351 0.049 18551 413 1 2 . 1 1 27 27 GLU CA C 27 56.200 56.200 57.254 -1.054 18551 414 1 2 . 1 1 27 27 GLU CB C 27 30.700 30.700 30.090 0.610 18551 415 1 2 . 1 1 28 28 CYS N N 28 119.400 119.400 117.963 1.437 18551 416 1 2 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.614 -0.024 18551 417 1 2 . 1 1 28 28 CYS C C 28 173.000 173.000 173.586 -0.586 18551 418 1 2 . 1 1 28 28 CYS CA C 28 57.900 57.900 58.922 -1.022 18551 419 1 2 . 1 1 28 28 CYS CB C 28 28.700 28.700 30.397 -1.697 18551 420 1 2 . 1 1 29 29 HIS N N 29 124.500 124.500 118.408 6.092 18551 421 1 2 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.862 -0.222 18551 422 1 2 . 1 1 29 29 HIS C C 29 174.700 174.700 173.301 1.399 18551 423 1 2 . 1 1 29 29 HIS CA C 29 55.300 55.300 55.906 -0.606 18551 424 1 2 . 1 1 29 29 HIS CB C 29 32.400 32.400 32.851 -0.451 18551 425 1 2 . 1 1 30 30 LEU N N 30 123.900 123.900 124.012 -0.112 18551 426 1 2 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.283 -0.213 18551 427 1 2 . 1 1 30 30 LEU C C 30 178.500 178.500 176.958 1.542 18551 428 1 2 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.022 0.778 18551 429 1 2 . 1 1 30 30 LEU CB C 30 43.700 43.700 44.805 -1.105 18551 430 1 2 . 1 1 31 31 CYS N N 31 126.700 126.700 124.560 2.140 18551 431 1 2 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.869 -0.059 18551 432 1 2 . 1 1 31 31 CYS C C 31 53.800 53.800 175.045 -121.245 18551 433 1 2 . 1 1 31 31 CYS CA C 31 57.100 57.100 55.770 1.330 18551 434 1 2 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.463 3.837 18551 435 1 2 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.183 0.277 18551 436 1 2 . 1 1 32 32 PRO C C 32 176.000 176.000 176.817 -0.817 18551 437 1 2 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.019 -1.019 18551 438 1 2 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.471 0.729 18551 439 1 2 . 1 1 33 33 VAL N N 33 122.000 122.000 113.054 8.946 18551 440 1 2 . 1 1 33 33 VAL HA H 33 3.810 3.810 3.963 -0.153 18551 441 1 2 . 1 1 33 33 VAL C C 33 176.700 176.700 175.601 1.099 18551 442 1 2 . 1 1 33 33 VAL CA C 33 64.800 64.800 63.479 1.321 18551 443 1 2 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.138 0.562 18551 444 1 2 . 1 1 34 34 CYS N N 34 117.100 117.100 114.747 2.353 18551 445 1 2 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.685 0.485 18551 446 1 2 . 1 1 34 34 CYS C C 34 176.800 176.800 174.306 2.494 18551 447 1 2 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.409 2.091 18551 448 1 2 . 1 1 34 34 CYS CB C 34 32.700 32.700 30.012 2.688 18551 449 1 2 . 1 1 35 35 GLY N N 35 112.500 112.500 109.122 3.378 18551 450 1 2 . 1 1 35 35 GLY C C 35 173.200 173.200 173.822 -0.622 18551 451 1 2 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.756 -0.356 18551 452 1 2 . 1 1 36 36 GLU N N 36 122.500 122.500 122.836 -0.336 18551 453 1 2 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.089 -0.099 18551 454 1 2 . 1 1 36 36 GLU C C 36 173.800 173.800 174.157 -0.357 18551 455 1 2 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.668 2.232 18551 456 1 2 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.367 -0.867 18551 457 1 2 . 1 1 37 37 SER N N 37 116.300 116.300 118.852 -2.552 18551 458 1 2 . 1 1 37 37 SER HA H 37 4.820 4.820 5.406 -0.586 18551 459 1 2 . 1 1 37 37 SER C C 37 173.300 173.300 173.455 -0.155 18551 460 1 2 . 1 1 37 37 SER CA C 37 57.200 57.200 56.507 0.693 18551 461 1 2 . 1 1 37 37 SER CB C 37 65.300 65.300 64.739 0.561 18551 462 1 2 . 1 1 38 38 PHE N N 38 120.000 120.000 122.349 -2.349 18551 463 1 2 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.779 -0.129 18551 464 1 2 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.072 0.328 18551 465 1 2 . 1 1 38 38 PHE CB C 38 44.000 44.000 43.323 0.677 18551 466 1 2 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.364 0.226 18551 467 1 2 . 1 1 39 39 ALA C C 39 176.700 176.700 177.656 -0.956 18551 468 1 2 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.781 -1.081 18551 469 1 2 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.057 0.343 18551 470 1 2 . 1 1 40 40 SER N N 40 107.500 107.500 114.607 -7.107 18551 471 1 2 . 1 1 40 40 SER HA H 40 4.560 4.560 4.339 0.221 18551 472 1 2 . 1 1 40 40 SER C C 40 173.400 173.400 174.787 -1.387 18551 473 1 2 . 1 1 40 40 SER CA C 40 56.100 56.100 57.502 -1.402 18551 474 1 2 . 1 1 40 40 SER CB C 40 66.400 66.400 62.989 3.411 18551 475 1 2 . 1 1 41 41 LYS N N 41 124.400 124.400 127.419 -3.019 18551 476 1 2 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.519 -0.079 18551 477 1 2 . 1 1 41 41 LYS C C 41 178.600 178.600 178.059 0.541 18551 478 1 2 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.914 -0.714 18551 479 1 2 . 1 1 41 41 LYS CB C 41 32.100 32.100 31.959 0.141 18551 480 1 2 . 1 1 42 42 GLY N N 42 105.900 105.900 106.615 -0.715 18551 481 1 2 . 1 1 42 42 GLY C C 42 176.700 176.700 175.468 1.232 18551 482 1 2 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.529 0.371 18551 483 1 2 . 1 1 43 43 ALA N N 43 123.500 123.500 123.449 0.051 18551 484 1 2 . 1 1 43 43 ALA HA H 43 4.050 4.050 3.857 0.193 18551 485 1 2 . 1 1 43 43 ALA C C 43 179.700 179.700 178.996 0.704 18551 486 1 2 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.023 0.677 18551 487 1 2 . 1 1 43 43 ALA CB C 43 18.800 18.800 17.589 1.211 18551 488 1 2 . 1 1 44 44 GLN N N 44 121.800 121.800 118.576 3.224 18551 489 1 2 . 1 1 44 44 GLN HA H 44 2.600 2.600 4.171 -1.571 18551 490 1 2 . 1 1 44 44 GLN C C 44 177.500 177.500 178.018 -0.518 18551 491 1 2 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.855 0.545 18551 492 1 2 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.754 -1.154 18551 493 1 2 . 1 1 45 45 GLU N N 45 120.200 120.200 119.168 1.032 18551 494 1 2 . 1 1 45 45 GLU HA H 45 3.770 3.770 3.977 -0.207 18551 495 1 2 . 1 1 45 45 GLU C C 45 179.000 179.000 178.947 0.053 18551 496 1 2 . 1 1 45 45 GLU CA C 45 59.900 59.900 59.279 0.622 18551 497 1 2 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.126 0.274 18551 498 1 2 . 1 1 46 46 ARG N N 46 119.900 119.900 117.443 2.457 18551 499 1 2 . 1 1 46 46 ARG HA H 46 3.900 3.900 4.012 -0.112 18551 500 1 2 . 1 1 46 46 ARG C C 46 177.800 177.800 178.466 -0.666 18551 501 1 2 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.383 0.217 18551 502 1 2 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.621 0.479 18551 503 1 2 . 1 1 47 47 HIS N N 47 118.200 118.200 117.891 0.309 18551 504 1 2 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.464 -0.324 18551 505 1 2 . 1 1 47 47 HIS C C 47 176.300 176.300 176.969 -0.669 18551 506 1 2 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.602 -0.002 18551 507 1 2 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.347 -2.447 18551 508 1 2 . 1 1 48 48 LEU N N 48 120.000 120.000 119.518 0.482 18551 509 1 2 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.459 -0.649 18551 510 1 2 . 1 1 48 48 LEU C C 48 178.500 178.500 179.135 -0.635 18551 511 1 2 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.249 1.951 18551 512 1 2 . 1 1 48 48 LEU CB C 48 42.700 42.700 42.305 0.395 18551 513 1 2 . 1 1 49 49 ARG N N 49 115.400 115.400 118.377 -2.977 18551 514 1 2 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.037 -0.137 18551 515 1 2 . 1 1 49 49 ARG C C 49 177.600 177.600 177.575 0.025 18551 516 1 2 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.800 -0.100 18551 517 1 2 . 1 1 49 49 ARG CB C 49 30.500 30.500 29.922 0.579 18551 518 1 2 . 1 1 50 50 LEU N N 50 117.200 117.200 117.642 -0.442 18551 519 1 2 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.203 -0.003 18551 520 1 2 . 1 1 50 50 LEU C C 50 179.000 179.000 178.460 0.540 18551 521 1 2 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.318 0.482 18551 522 1 2 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.515 0.185 18551 523 1 2 . 1 1 51 51 LEU N N 51 117.800 117.800 116.594 1.206 18551 524 1 2 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.076 0.194 18551 525 1 2 . 1 1 51 51 LEU C C 51 178.100 178.100 178.019 0.081 18551 526 1 2 . 1 1 51 51 LEU CA C 51 55.000 55.000 56.605 -1.605 18551 527 1 2 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.353 -1.153 18551 528 1 2 . 1 1 52 52 HIS N N 52 115.300 115.300 116.729 -1.429 18551 529 1 2 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.771 0.589 18551 530 1 2 . 1 1 52 52 HIS C C 52 175.000 175.000 174.185 0.815 18551 531 1 2 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.561 -1.761 18551 532 1 2 . 1 1 52 52 HIS CB C 52 28.900 28.900 29.125 -0.225 18551 533 1 2 . 1 1 53 53 ALA N N 53 122.100 122.100 122.902 -0.802 18551 534 1 2 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.236 -0.166 18551 535 1 2 . 1 1 53 53 ALA C C 53 178.300 178.300 177.170 1.130 18551 536 1 2 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.289 2.311 18551 537 1 2 . 1 1 53 53 ALA CB C 53 18.600 18.600 19.022 -0.422 18551 538 1 2 . 1 1 54 54 ALA N N 54 118.200 118.200 119.379 -1.179 18551 539 1 2 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.112 0.177 18551 540 1 2 . 1 1 54 54 ALA C C 54 177.700 177.700 178.858 -1.158 18551 541 1 2 . 1 1 54 54 ALA CA C 54 52.800 52.800 54.340 -1.540 18551 542 1 2 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.587 0.413 18551 543 1 2 . 1 1 55 55 GLN N N 55 118.200 118.200 113.921 4.279 18551 544 1 2 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.257 0.123 18551 545 1 2 . 1 1 55 55 GLN C C 55 173.700 173.700 175.719 -2.019 18551 546 1 2 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.211 0.289 18551 547 1 2 . 1 1 55 55 GLN CB C 55 30.300 30.300 30.626 -0.326 18551 548 1 2 . 1 1 56 56 VAL N N 56 115.300 115.300 115.391 -0.091 18551 549 1 2 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.371 0.039 18551 550 1 2 . 1 1 56 56 VAL C C 56 174.500 174.500 174.633 -0.133 18551 551 1 2 . 1 1 56 56 VAL CA C 56 60.900 60.900 60.968 -0.068 18551 552 1 2 . 1 1 56 56 VAL CB C 56 33.900 33.900 32.274 1.626 18551 553 1 2 . 1 1 57 57 PHE N N 57 122.700 122.700 124.573 -1.873 18551 554 1 2 . 1 1 57 57 PHE HA H 57 4.830 4.830 5.075 -0.245 18551 555 1 2 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.116 0.084 18551 556 1 2 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.160 -0.160 18551 557 1 2 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.770 -0.050 18551 558 1 2 . 1 1 58 58 PRO C C 58 175.700 175.700 176.248 -0.548 18551 559 1 2 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.124 -0.025 18551 560 1 2 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.763 0.537 18551 561 1 2 . 1 1 59 59 CYS N N 59 125.200 125.200 125.777 -0.577 18551 562 1 2 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.471 -0.051 18551 563 1 2 . 1 1 59 59 CYS C C 59 176.300 176.300 176.758 -0.458 18551 564 1 2 . 1 1 59 59 CYS CA C 59 60.800 60.800 59.566 1.234 18551 565 1 2 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.628 1.872 18551 566 1 2 . 1 1 60 60 LYS N N 60 126.400 126.400 128.573 -2.173 18551 567 1 2 . 1 1 60 60 LYS HA H 60 4.160 4.160 4.019 0.141 18551 568 1 2 . 1 1 60 60 LYS C C 60 176.800 176.800 176.390 0.410 18551 569 1 2 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.729 -1.629 18551 570 1 2 . 1 1 60 60 LYS CB C 60 32.400 32.400 32.116 0.284 18551 571 1 2 . 1 1 61 61 TYR N N 61 121.900 121.900 116.663 5.237 18551 572 1 2 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.563 -0.053 18551 573 1 2 . 1 1 61 61 TYR C C 61 174.300 174.300 176.371 -2.071 18551 574 1 2 . 1 1 61 61 TYR CA C 61 57.700 57.700 57.988 -0.288 18551 575 1 2 . 1 1 61 61 TYR CB C 61 38.000 38.000 39.282 -1.282 18551 576 1 2 . 1 1 62 62 CYS N N 62 122.800 122.800 118.023 4.777 18551 577 1 2 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.958 0.112 18551 578 1 2 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.475 2.724 18551 579 1 2 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.413 0.187 18551 580 1 2 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.300 0.270 18551 581 1 2 . 1 1 63 63 PRO C C 63 176.500 176.500 175.758 0.742 18551 582 1 2 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.718 0.382 18551 583 1 2 . 1 1 63 63 PRO CB C 63 31.900 31.900 30.083 1.817 18551 584 1 2 . 1 1 64 64 ALA N N 64 125.400 125.400 127.781 -2.381 18551 585 1 2 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.321 -0.291 18551 586 1 2 . 1 1 64 64 ALA C C 64 176.100 176.100 175.272 0.828 18551 587 1 2 . 1 1 64 64 ALA CA C 64 53.900 53.900 52.297 1.603 18551 588 1 2 . 1 1 64 64 ALA CB C 64 20.200 20.200 20.731 -0.531 18551 589 1 2 . 1 1 65 65 THR N N 65 113.200 113.200 118.157 -4.957 18551 590 1 2 . 1 1 65 65 THR HA H 65 4.440 4.440 4.508 -0.068 18551 591 1 2 . 1 1 65 65 THR C C 65 171.400 171.400 173.133 -1.733 18551 592 1 2 . 1 1 65 65 THR CA C 65 61.400 61.400 62.044 -0.644 18551 593 1 2 . 1 1 65 65 THR CB C 65 71.600 71.600 69.277 2.323 18551 594 1 2 . 1 1 66 66 PHE N N 66 120.900 120.900 126.296 -5.396 18551 595 1 2 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.841 -0.421 18551 596 1 2 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.511 0.689 18551 597 1 2 . 1 1 66 66 PHE CB C 66 42.700 42.700 41.639 1.061 18551 598 1 2 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.919 0.361 18551 599 1 2 . 1 1 67 67 TYR C C 67 174.800 174.800 174.461 0.339 18551 600 1 2 . 1 1 67 67 TYR CA C 67 57.800 57.800 57.301 0.499 18551 601 1 2 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.806 -1.306 18551 602 1 2 . 1 1 68 68 SER N N 68 112.800 112.800 115.479 -2.679 18551 603 1 2 . 1 1 68 68 SER HA H 68 4.440 4.440 4.735 -0.295 18551 604 1 2 . 1 1 68 68 SER C C 68 172.200 172.200 174.457 -2.257 18551 605 1 2 . 1 1 68 68 SER CA C 68 57.000 57.000 56.979 0.021 18551 606 1 2 . 1 1 68 68 SER CB C 68 66.400 66.400 66.635 -0.235 18551 607 1 2 . 1 1 69 69 SER N N 69 117.800 117.800 120.930 -3.130 18551 608 1 2 . 1 1 69 69 SER HA H 69 3.630 3.630 3.618 0.012 18551 609 1 2 . 1 1 69 69 SER CA C 69 61.900 61.900 62.467 -0.567 18551 610 1 2 . 1 1 69 69 SER CB C 69 60.900 60.900 60.935 -0.035 18551 611 1 2 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.288 -0.028 18551 612 1 2 . 1 1 70 70 PRO C C 70 179.000 179.000 178.791 0.209 18551 613 1 2 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.046 0.654 18551 614 1 2 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.120 -0.120 18551 615 1 2 . 1 1 71 71 GLY N N 71 105.000 105.000 106.649 -1.649 18551 616 1 2 . 1 1 71 71 GLY C C 71 175.700 175.700 176.076 -0.376 18551 617 1 2 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.484 0.215 18551 618 1 2 . 1 1 72 72 LEU N N 72 123.600 123.600 121.693 1.907 18551 619 1 2 . 1 1 72 72 LEU HA H 72 3.490 3.490 4.042 -0.552 18551 620 1 2 . 1 1 72 72 LEU C C 72 177.900 177.900 178.645 -0.745 18551 621 1 2 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.361 0.439 18551 622 1 2 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.825 -1.525 18551 623 1 2 . 1 1 73 73 THR N N 73 117.100 117.100 114.500 2.600 18551 624 1 2 . 1 1 73 73 THR HA H 73 3.710 3.710 4.002 -0.292 18551 625 1 2 . 1 1 73 73 THR C C 73 176.100 176.100 176.274 -0.174 18551 626 1 2 . 1 1 73 73 THR CA C 73 67.300 67.300 66.147 1.153 18551 627 1 2 . 1 1 73 73 THR CB C 73 68.700 68.700 68.478 0.222 18551 628 1 2 . 1 1 74 74 ARG N N 74 120.200 120.200 121.340 -1.140 18551 629 1 2 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.951 0.029 18551 630 1 2 . 1 1 74 74 ARG C C 74 178.500 178.500 178.302 0.198 18551 631 1 2 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.722 -0.122 18551 632 1 2 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.669 0.431 18551 633 1 2 . 1 1 75 75 HIS N N 75 118.700 118.700 119.348 -0.648 18551 634 1 2 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.439 -0.169 18551 635 1 2 . 1 1 75 75 HIS C C 75 176.900 176.900 177.428 -0.528 18551 636 1 2 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.817 -0.217 18551 637 1 2 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.493 -1.593 18551 638 1 2 . 1 1 76 76 ILE N N 76 121.600 121.600 117.685 3.915 18551 639 1 2 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.818 -0.398 18551 640 1 2 . 1 1 76 76 ILE C C 76 177.800 177.800 177.853 -0.053 18551 641 1 2 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.314 0.986 18551 642 1 2 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.692 0.308 18551 643 1 2 . 1 1 77 77 ASN N N 77 115.900 115.900 117.748 -1.848 18551 644 1 2 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.511 -0.241 18551 645 1 2 . 1 1 77 77 ASN C C 77 176.400 176.400 176.586 -0.186 18551 646 1 2 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.705 0.095 18551 647 1 2 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.599 -0.199 18551 648 1 2 . 1 1 78 78 LYS N N 78 116.200 116.200 119.517 -3.317 18551 649 1 2 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.286 -0.116 18551 650 1 2 . 1 1 78 78 LYS C C 78 178.400 178.400 177.231 1.169 18551 651 1 2 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.043 0.057 18551 652 1 2 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.116 0.884 18551 653 1 2 . 1 1 79 79 CYS N N 79 113.900 113.900 119.323 -5.423 18551 654 1 2 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.439 -0.349 18551 655 1 2 . 1 1 79 79 CYS C C 79 174.200 174.200 174.414 -0.214 18551 656 1 2 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.645 2.055 18551 657 1 2 . 1 1 79 79 CYS CB C 79 28.000 28.000 28.133 -0.133 18551 658 1 2 . 1 1 80 80 HIS N N 80 117.000 117.000 118.341 -1.341 18551 659 1 2 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.754 0.526 18551 660 1 2 . 1 1 80 80 HIS CA C 80 51.700 51.700 54.195 -2.495 18551 661 1 2 . 1 1 80 80 HIS CB C 80 28.700 28.700 30.873 -2.173 18551 662 1 2 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.916 -0.596 18551 663 1 2 . 1 1 81 81 PRO C C 81 178.100 178.100 177.031 1.069 18551 664 1 2 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.669 1.030 18551 665 1 2 . 1 1 81 81 PRO CB C 81 31.500 31.500 31.791 -0.291 18551 666 1 2 . 1 1 82 82 SER N N 82 114.100 114.100 114.112 -0.012 18551 667 1 2 . 1 1 82 82 SER HA H 82 4.340 4.340 4.760 -0.420 18551 668 1 2 . 1 1 82 82 SER C C 82 174.900 174.900 175.075 -0.175 18551 669 1 2 . 1 1 82 82 SER CA C 82 59.000 59.000 57.995 1.005 18551 670 1 2 . 1 1 82 82 SER CB C 82 63.300 63.300 62.939 0.361 18551 671 1 2 . 1 1 83 83 GLU N N 83 120.600 120.600 121.763 -1.163 18551 672 1 2 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.264 -0.034 18551 673 1 2 . 1 1 83 83 GLU C C 83 176.300 176.300 175.388 0.912 18551 674 1 2 . 1 1 83 83 GLU CA C 83 56.100 56.100 55.684 0.416 18551 675 1 2 . 1 1 83 83 GLU CB C 83 29.400 29.400 27.263 2.137 18551 676 1 2 . 1 1 84 84 ASN N N 84 119.100 119.100 120.234 -1.134 18551 677 1 2 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.753 -0.043 18551 678 1 2 . 1 1 84 84 ASN C C 84 174.100 174.100 174.703 -0.603 18551 679 1 2 . 1 1 84 84 ASN CA C 84 53.200 53.200 53.354 -0.154 18551 680 1 2 . 1 1 84 84 ASN CB C 84 39.000 39.000 39.390 -0.390 18551 681 1 3 . 1 1 11 11 MET HA H 11 4.440 4.440 4.755 -0.315 18551 682 1 3 . 1 1 11 11 MET C C 11 176.600 176.600 175.777 0.823 18551 683 1 3 . 1 1 11 11 MET CA C 11 55.600 55.600 56.038 -0.438 18551 684 1 3 . 1 1 11 11 MET CB C 11 32.700 32.700 33.468 -0.768 18551 685 1 3 . 1 1 12 12 GLY N N 12 110.000 110.000 112.674 -2.674 18551 686 1 3 . 1 1 12 12 GLY C C 12 173.900 173.900 173.608 0.292 18551 687 1 3 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.885 0.415 18551 688 1 3 . 1 1 13 13 ASP N N 13 120.500 120.500 120.336 0.164 18551 689 1 3 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.664 -0.024 18551 690 1 3 . 1 1 13 13 ASP C C 13 176.900 176.900 175.560 1.340 18551 691 1 3 . 1 1 13 13 ASP CA C 13 54.500 54.500 54.139 0.361 18551 692 1 3 . 1 1 13 13 ASP CB C 13 41.400 41.400 42.512 -1.112 18551 693 1 3 . 1 1 14 14 GLY N N 14 109.300 109.300 111.039 -1.739 18551 694 1 3 . 1 1 14 14 GLY C C 14 174.500 174.500 173.115 1.385 18551 695 1 3 . 1 1 14 14 GLY CA C 14 45.500 45.500 45.262 0.238 18551 696 1 3 . 1 1 15 15 GLU N N 15 120.600 120.600 120.164 0.436 18551 697 1 3 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.807 -0.527 18551 698 1 3 . 1 1 15 15 GLU C C 15 177.200 177.200 175.920 1.280 18551 699 1 3 . 1 1 15 15 GLU CA C 15 56.800 56.800 55.855 0.945 18551 700 1 3 . 1 1 15 15 GLU CB C 15 30.100 30.100 31.647 -1.547 18551 701 1 3 . 1 1 16 16 GLY N N 16 109.900 109.900 108.474 1.426 18551 702 1 3 . 1 1 16 16 GLY C C 16 174.100 174.100 172.747 1.353 18551 703 1 3 . 1 1 16 16 GLY CA C 16 45.500 45.500 44.878 0.622 18551 704 1 3 . 1 1 17 17 ALA N N 17 123.500 123.500 123.247 0.253 18551 705 1 3 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.863 -0.563 18551 706 1 3 . 1 1 17 17 ALA C C 17 178.300 178.300 176.887 1.413 18551 707 1 3 . 1 1 17 17 ALA CA C 17 52.800 52.800 52.462 0.338 18551 708 1 3 . 1 1 17 17 ALA CB C 17 19.300 19.300 19.879 -0.579 18551 709 1 3 . 1 1 18 18 GLY N N 18 108.000 108.000 110.504 -2.504 18551 710 1 3 . 1 1 18 18 GLY C C 18 174.400 174.400 174.578 -0.178 18551 711 1 3 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.938 0.462 18551 712 1 3 . 1 1 19 19 VAL N N 19 119.100 119.100 117.388 1.712 18551 713 1 3 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.565 -0.475 18551 714 1 3 . 1 1 19 19 VAL C C 19 176.400 176.400 176.073 0.327 18551 715 1 3 . 1 1 19 19 VAL CA C 19 62.500 62.500 62.606 -0.106 18551 716 1 3 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.389 0.111 18551 717 1 3 . 1 1 20 20 LEU N N 20 125.100 125.100 121.634 3.466 18551 718 1 3 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.791 -0.461 18551 719 1 3 . 1 1 20 20 LEU C C 20 177.900 177.900 176.477 1.423 18551 720 1 3 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.340 1.060 18551 721 1 3 . 1 1 20 20 LEU CB C 20 42.200 42.200 44.049 -1.849 18551 722 1 3 . 1 1 21 21 GLY N N 21 109.300 109.300 109.420 -0.120 18551 723 1 3 . 1 1 21 21 GLY C C 21 174.200 174.200 173.494 0.706 18551 724 1 3 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.930 0.470 18551 725 1 3 . 1 1 22 22 LEU N N 22 121.600 121.600 122.824 -1.224 18551 726 1 3 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.575 -0.205 18551 727 1 3 . 1 1 22 22 LEU C C 22 177.600 177.600 178.115 -0.515 18551 728 1 3 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.480 0.720 18551 729 1 3 . 1 1 22 22 LEU CB C 22 42.500 42.500 42.719 -0.219 18551 730 1 3 . 1 1 23 23 SER N N 23 116.500 116.500 118.045 -1.545 18551 731 1 3 . 1 1 23 23 SER HA H 23 4.440 4.440 4.348 0.092 18551 732 1 3 . 1 1 23 23 SER C C 23 174.300 174.300 175.404 -1.104 18551 733 1 3 . 1 1 23 23 SER CA C 23 58.300 58.300 58.745 -0.445 18551 734 1 3 . 1 1 23 23 SER CB C 23 63.800 63.800 63.971 -0.171 18551 735 1 3 . 1 1 24 24 ALA N N 24 126.000 126.000 124.920 1.080 18551 736 1 3 . 1 1 24 24 ALA HA H 24 4.350 4.350 3.952 0.398 18551 737 1 3 . 1 1 24 24 ALA C C 24 177.700 177.700 177.364 0.336 18551 738 1 3 . 1 1 24 24 ALA CA C 24 52.700 52.700 53.167 -0.467 18551 739 1 3 . 1 1 24 24 ALA CB C 24 19.400 19.400 17.569 1.831 18551 740 1 3 . 1 1 25 25 SER N N 25 114.700 114.700 114.794 -0.094 18551 741 1 3 . 1 1 25 25 SER HA H 25 4.430 4.430 4.096 0.334 18551 742 1 3 . 1 1 25 25 SER C C 25 174.200 174.200 174.282 -0.082 18551 743 1 3 . 1 1 25 25 SER CA C 25 58.200 58.200 59.222 -1.022 18551 744 1 3 . 1 1 25 25 SER CB C 25 63.900 63.900 62.857 1.043 18551 745 1 3 . 1 1 26 26 ALA N N 26 125.900 125.900 123.436 2.464 18551 746 1 3 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.394 -0.054 18551 747 1 3 . 1 1 26 26 ALA C C 26 177.400 177.400 176.026 1.374 18551 748 1 3 . 1 1 26 26 ALA CA C 26 52.500 52.500 52.881 -0.381 18551 749 1 3 . 1 1 26 26 ALA CB C 26 19.400 19.400 19.367 0.032 18551 750 1 3 . 1 1 27 27 GLU N N 27 120.100 120.100 118.245 1.855 18551 751 1 3 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.515 -0.275 18551 752 1 3 . 1 1 27 27 GLU C C 27 175.400 175.400 174.728 0.672 18551 753 1 3 . 1 1 27 27 GLU CA C 27 56.200 56.200 55.789 0.411 18551 754 1 3 . 1 1 27 27 GLU CB C 27 30.700 30.700 30.544 0.156 18551 755 1 3 . 1 1 28 28 CYS N N 28 119.400 119.400 118.028 1.372 18551 756 1 3 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.373 0.217 18551 757 1 3 . 1 1 28 28 CYS C C 28 173.000 173.000 173.816 -0.816 18551 758 1 3 . 1 1 28 28 CYS CA C 28 57.900 57.900 58.469 -0.569 18551 759 1 3 . 1 1 28 28 CYS CB C 28 28.700 28.700 31.515 -2.815 18551 760 1 3 . 1 1 29 29 HIS N N 29 124.500 124.500 120.365 4.135 18551 761 1 3 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.645 -0.005 18551 762 1 3 . 1 1 29 29 HIS C C 29 174.700 174.700 174.510 0.190 18551 763 1 3 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.643 -1.343 18551 764 1 3 . 1 1 29 29 HIS CB C 29 32.400 32.400 30.212 2.188 18551 765 1 3 . 1 1 30 30 LEU N N 30 123.900 123.900 123.684 0.216 18551 766 1 3 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.121 -0.051 18551 767 1 3 . 1 1 30 30 LEU C C 30 178.500 178.500 177.099 1.401 18551 768 1 3 . 1 1 30 30 LEU CA C 30 53.800 53.800 52.938 0.862 18551 769 1 3 . 1 1 30 30 LEU CB C 30 43.700 43.700 44.215 -0.515 18551 770 1 3 . 1 1 31 31 CYS N N 31 126.700 126.700 126.016 0.684 18551 771 1 3 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.748 0.062 18551 772 1 3 . 1 1 31 31 CYS C C 31 53.800 53.800 175.238 -121.438 18551 773 1 3 . 1 1 31 31 CYS CA C 31 57.100 57.100 56.778 0.322 18551 774 1 3 . 1 1 31 31 CYS CB C 31 30.300 30.300 27.015 3.285 18551 775 1 3 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.192 0.268 18551 776 1 3 . 1 1 32 32 PRO C C 32 176.000 176.000 176.643 -0.643 18551 777 1 3 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.440 -1.440 18551 778 1 3 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.691 0.509 18551 779 1 3 . 1 1 33 33 VAL N N 33 122.000 122.000 112.272 9.728 18551 780 1 3 . 1 1 33 33 VAL HA H 33 3.810 3.810 3.950 -0.140 18551 781 1 3 . 1 1 33 33 VAL C C 33 176.700 176.700 176.109 0.591 18551 782 1 3 . 1 1 33 33 VAL CA C 33 64.800 64.800 63.076 1.724 18551 783 1 3 . 1 1 33 33 VAL CB C 33 32.700 32.700 31.559 1.141 18551 784 1 3 . 1 1 34 34 CYS N N 34 117.100 117.100 117.988 -0.888 18551 785 1 3 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.801 0.369 18551 786 1 3 . 1 1 34 34 CYS C C 34 176.800 176.800 174.869 1.931 18551 787 1 3 . 1 1 34 34 CYS CA C 34 58.500 58.500 57.077 1.423 18551 788 1 3 . 1 1 34 34 CYS CB C 34 32.700 32.700 29.305 3.395 18551 789 1 3 . 1 1 35 35 GLY N N 35 112.500 112.500 110.667 1.833 18551 790 1 3 . 1 1 35 35 GLY C C 35 173.200 173.200 173.608 -0.408 18551 791 1 3 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.268 0.132 18551 792 1 3 . 1 1 36 36 GLU N N 36 122.500 122.500 124.372 -1.872 18551 793 1 3 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.168 -0.178 18551 794 1 3 . 1 1 36 36 GLU C C 36 173.800 173.800 174.648 -0.848 18551 795 1 3 . 1 1 36 36 GLU CA C 36 57.900 57.900 54.823 3.077 18551 796 1 3 . 1 1 36 36 GLU CB C 36 30.500 30.500 32.172 -1.672 18551 797 1 3 . 1 1 37 37 SER N N 37 116.300 116.300 121.757 -5.457 18551 798 1 3 . 1 1 37 37 SER HA H 37 4.820 4.820 4.265 0.555 18551 799 1 3 . 1 1 37 37 SER C C 37 173.300 173.300 173.429 -0.129 18551 800 1 3 . 1 1 37 37 SER CA C 37 57.200 57.200 58.693 -1.493 18551 801 1 3 . 1 1 37 37 SER CB C 37 65.300 65.300 63.282 2.018 18551 802 1 3 . 1 1 38 38 PHE N N 38 120.000 120.000 125.508 -5.508 18551 803 1 3 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.744 -0.094 18551 804 1 3 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.124 0.276 18551 805 1 3 . 1 1 38 38 PHE CB C 38 44.000 44.000 41.130 2.870 18551 806 1 3 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.244 0.346 18551 807 1 3 . 1 1 39 39 ALA C C 39 176.700 176.700 178.450 -1.750 18551 808 1 3 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.892 -1.192 18551 809 1 3 . 1 1 39 39 ALA CB C 39 19.400 19.400 18.938 0.462 18551 810 1 3 . 1 1 40 40 SER N N 40 107.500 107.500 115.739 -8.239 18551 811 1 3 . 1 1 40 40 SER HA H 40 4.560 4.560 4.563 -0.003 18551 812 1 3 . 1 1 40 40 SER C C 40 173.400 173.400 175.482 -2.082 18551 813 1 3 . 1 1 40 40 SER CA C 40 56.100 56.100 58.397 -2.297 18551 814 1 3 . 1 1 40 40 SER CB C 40 66.400 66.400 63.803 2.597 18551 815 1 3 . 1 1 41 41 LYS N N 41 124.400 124.400 127.620 -3.220 18551 816 1 3 . 1 1 41 41 LYS HA H 41 3.440 3.440 4.017 -0.577 18551 817 1 3 . 1 1 41 41 LYS C C 41 178.600 178.600 178.494 0.106 18551 818 1 3 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.748 -0.548 18551 819 1 3 . 1 1 41 41 LYS CB C 41 32.100 32.100 31.987 0.113 18551 820 1 3 . 1 1 42 42 GLY N N 42 105.900 105.900 106.696 -0.796 18551 821 1 3 . 1 1 42 42 GLY C C 42 176.700 176.700 176.112 0.588 18551 822 1 3 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.590 0.310 18551 823 1 3 . 1 1 43 43 ALA N N 43 123.500 123.500 123.741 -0.241 18551 824 1 3 . 1 1 43 43 ALA HA H 43 4.050 4.050 4.099 -0.049 18551 825 1 3 . 1 1 43 43 ALA C C 43 179.700 179.700 179.152 0.548 18551 826 1 3 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.319 0.381 18551 827 1 3 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.169 0.631 18551 828 1 3 . 1 1 44 44 GLN N N 44 121.800 121.800 118.362 3.438 18551 829 1 3 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.418 -0.818 18551 830 1 3 . 1 1 44 44 GLN C C 44 177.500 177.500 177.931 -0.431 18551 831 1 3 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.302 1.098 18551 832 1 3 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.412 -0.812 18551 833 1 3 . 1 1 45 45 GLU N N 45 120.200 120.200 119.219 0.981 18551 834 1 3 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.007 -0.237 18551 835 1 3 . 1 1 45 45 GLU C C 45 179.000 179.000 178.755 0.245 18551 836 1 3 . 1 1 45 45 GLU CA C 45 59.900 59.900 59.361 0.539 18551 837 1 3 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.667 -0.267 18551 838 1 3 . 1 1 46 46 ARG N N 46 119.900 119.900 117.510 2.390 18551 839 1 3 . 1 1 46 46 ARG HA H 46 3.900 3.900 4.013 -0.113 18551 840 1 3 . 1 1 46 46 ARG C C 46 177.800 177.800 178.643 -0.843 18551 841 1 3 . 1 1 46 46 ARG CA C 46 59.600 59.600 58.972 0.628 18551 842 1 3 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.532 0.568 18551 843 1 3 . 1 1 47 47 HIS N N 47 118.200 118.200 118.963 -0.763 18551 844 1 3 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.397 -0.257 18551 845 1 3 . 1 1 47 47 HIS C C 47 176.300 176.300 176.849 -0.549 18551 846 1 3 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.561 0.039 18551 847 1 3 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.387 -2.487 18551 848 1 3 . 1 1 48 48 LEU N N 48 120.000 120.000 119.373 0.627 18551 849 1 3 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.320 -0.510 18551 850 1 3 . 1 1 48 48 LEU C C 48 178.500 178.500 178.412 0.088 18551 851 1 3 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.388 1.812 18551 852 1 3 . 1 1 48 48 LEU CB C 48 42.700 42.700 42.291 0.409 18551 853 1 3 . 1 1 49 49 ARG N N 49 115.400 115.400 115.974 -0.574 18551 854 1 3 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.077 -0.177 18551 855 1 3 . 1 1 49 49 ARG C C 49 177.600 177.600 177.890 -0.290 18551 856 1 3 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.675 0.025 18551 857 1 3 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.346 0.154 18551 858 1 3 . 1 1 50 50 LEU N N 50 117.200 117.200 118.199 -0.999 18551 859 1 3 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.224 -0.024 18551 860 1 3 . 1 1 50 50 LEU C C 50 179.000 179.000 178.687 0.313 18551 861 1 3 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.238 0.562 18551 862 1 3 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.392 0.308 18551 863 1 3 . 1 1 51 51 LEU N N 51 117.800 117.800 118.138 -0.338 18551 864 1 3 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.110 0.160 18551 865 1 3 . 1 1 51 51 LEU C C 51 178.100 178.100 179.118 -1.018 18551 866 1 3 . 1 1 51 51 LEU CA C 51 55.000 55.000 56.992 -1.992 18551 867 1 3 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.103 -0.903 18551 868 1 3 . 1 1 52 52 HIS N N 52 115.300 115.300 117.946 -2.646 18551 869 1 3 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.582 0.778 18551 870 1 3 . 1 1 52 52 HIS C C 52 175.000 175.000 174.731 0.269 18551 871 1 3 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.830 -2.030 18551 872 1 3 . 1 1 52 52 HIS CB C 52 28.900 28.900 28.459 0.441 18551 873 1 3 . 1 1 53 53 ALA N N 53 122.100 122.100 121.610 0.490 18551 874 1 3 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.292 -0.222 18551 875 1 3 . 1 1 53 53 ALA C C 53 178.300 178.300 176.982 1.318 18551 876 1 3 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.603 1.997 18551 877 1 3 . 1 1 53 53 ALA CB C 53 18.600 18.600 18.905 -0.305 18551 878 1 3 . 1 1 54 54 ALA N N 54 118.200 118.200 118.913 -0.713 18551 879 1 3 . 1 1 54 54 ALA HA H 54 4.290 4.290 3.956 0.334 18551 880 1 3 . 1 1 54 54 ALA C C 54 177.700 177.700 178.601 -0.901 18551 881 1 3 . 1 1 54 54 ALA CA C 54 52.800 52.800 53.878 -1.078 18551 882 1 3 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.655 0.345 18551 883 1 3 . 1 1 55 55 GLN N N 55 118.200 118.200 114.463 3.737 18551 884 1 3 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.107 0.273 18551 885 1 3 . 1 1 55 55 GLN C C 55 173.700 173.700 175.125 -1.425 18551 886 1 3 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.285 0.215 18551 887 1 3 . 1 1 55 55 GLN CB C 55 30.300 30.300 30.145 0.155 18551 888 1 3 . 1 1 56 56 VAL N N 56 115.300 115.300 115.233 0.067 18551 889 1 3 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.184 0.226 18551 890 1 3 . 1 1 56 56 VAL C C 56 174.500 174.500 174.680 -0.180 18551 891 1 3 . 1 1 56 56 VAL CA C 56 60.900 60.900 60.830 0.070 18551 892 1 3 . 1 1 56 56 VAL CB C 56 33.900 33.900 32.020 1.879 18551 893 1 3 . 1 1 57 57 PHE N N 57 122.700 122.700 125.630 -2.930 18551 894 1 3 . 1 1 57 57 PHE HA H 57 4.830 4.830 4.985 -0.155 18551 895 1 3 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.716 -0.516 18551 896 1 3 . 1 1 57 57 PHE CB C 57 40.000 40.000 39.318 0.682 18551 897 1 3 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.871 -0.151 18551 898 1 3 . 1 1 58 58 PRO C C 58 175.700 175.700 176.543 -0.843 18551 899 1 3 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.180 -0.080 18551 900 1 3 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.444 0.856 18551 901 1 3 . 1 1 59 59 CYS N N 59 125.200 125.200 127.268 -2.068 18551 902 1 3 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.472 -0.052 18551 903 1 3 . 1 1 59 59 CYS C C 59 176.300 176.300 176.455 -0.155 18551 904 1 3 . 1 1 59 59 CYS CA C 59 60.800 60.800 59.342 1.458 18551 905 1 3 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.851 1.649 18551 906 1 3 . 1 1 60 60 LYS N N 60 126.400 126.400 128.624 -2.224 18551 907 1 3 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.966 0.194 18551 908 1 3 . 1 1 60 60 LYS C C 60 176.800 176.800 176.647 0.153 18551 909 1 3 . 1 1 60 60 LYS CA C 60 57.100 57.100 59.039 -1.939 18551 910 1 3 . 1 1 60 60 LYS CB C 60 32.400 32.400 32.058 0.342 18551 911 1 3 . 1 1 61 61 TYR N N 61 121.900 121.900 116.155 5.745 18551 912 1 3 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.284 0.226 18551 913 1 3 . 1 1 61 61 TYR C C 61 174.300 174.300 176.229 -1.929 18551 914 1 3 . 1 1 61 61 TYR CA C 61 57.700 57.700 58.397 -0.697 18551 915 1 3 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.266 -0.266 18551 916 1 3 . 1 1 62 62 CYS N N 62 122.800 122.800 115.491 7.309 18551 917 1 3 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.933 0.137 18551 918 1 3 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.432 2.768 18551 919 1 3 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.123 0.476 18551 920 1 3 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.327 0.243 18551 921 1 3 . 1 1 63 63 PRO C C 63 176.500 176.500 176.120 0.380 18551 922 1 3 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.373 0.727 18551 923 1 3 . 1 1 63 63 PRO CB C 63 31.900 31.900 31.709 0.191 18551 924 1 3 . 1 1 64 64 ALA N N 64 125.400 125.400 124.462 0.938 18551 925 1 3 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.182 -0.152 18551 926 1 3 . 1 1 64 64 ALA C C 64 176.100 176.100 176.384 -0.284 18551 927 1 3 . 1 1 64 64 ALA CA C 64 53.900 53.900 52.022 1.878 18551 928 1 3 . 1 1 64 64 ALA CB C 64 20.200 20.200 18.723 1.477 18551 929 1 3 . 1 1 65 65 THR N N 65 113.200 113.200 115.295 -2.095 18551 930 1 3 . 1 1 65 65 THR HA H 65 4.440 4.440 4.360 0.080 18551 931 1 3 . 1 1 65 65 THR C C 65 171.400 171.400 173.221 -1.821 18551 932 1 3 . 1 1 65 65 THR CA C 65 61.400 61.400 60.765 0.635 18551 933 1 3 . 1 1 65 65 THR CB C 65 71.600 71.600 69.967 1.633 18551 934 1 3 . 1 1 66 66 PHE N N 66 120.900 120.900 122.393 -1.493 18551 935 1 3 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.870 -0.450 18551 936 1 3 . 1 1 66 66 PHE CA C 66 57.200 57.200 57.223 -0.023 18551 937 1 3 . 1 1 66 66 PHE CB C 66 42.700 42.700 42.397 0.303 18551 938 1 3 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.643 0.637 18551 939 1 3 . 1 1 67 67 TYR C C 67 174.800 174.800 175.108 -0.308 18551 940 1 3 . 1 1 67 67 TYR CA C 67 57.800 57.800 60.446 -2.646 18551 941 1 3 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.230 -0.730 18551 942 1 3 . 1 1 68 68 SER N N 68 112.800 112.800 112.239 0.561 18551 943 1 3 . 1 1 68 68 SER HA H 68 4.440 4.440 4.801 -0.361 18551 944 1 3 . 1 1 68 68 SER C C 68 172.200 172.200 174.789 -2.589 18551 945 1 3 . 1 1 68 68 SER CA C 68 57.000 57.000 57.182 -0.182 18551 946 1 3 . 1 1 68 68 SER CB C 68 66.400 66.400 66.401 -0.001 18551 947 1 3 . 1 1 69 69 SER N N 69 117.800 117.800 120.429 -2.629 18551 948 1 3 . 1 1 69 69 SER HA H 69 3.630 3.630 4.036 -0.406 18551 949 1 3 . 1 1 69 69 SER CA C 69 61.900 61.900 61.700 0.200 18551 950 1 3 . 1 1 69 69 SER CB C 69 60.900 60.900 60.911 -0.011 18551 951 1 3 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.152 0.108 18551 952 1 3 . 1 1 70 70 PRO C C 70 179.000 179.000 179.001 -0.001 18551 953 1 3 . 1 1 70 70 PRO CA C 70 65.700 65.700 66.085 -0.385 18551 954 1 3 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.113 -0.113 18551 955 1 3 . 1 1 71 71 GLY N N 71 105.000 105.000 104.751 0.249 18551 956 1 3 . 1 1 71 71 GLY C C 71 175.700 175.700 175.822 -0.122 18551 957 1 3 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.279 0.421 18551 958 1 3 . 1 1 72 72 LEU N N 72 123.600 123.600 122.292 1.308 18551 959 1 3 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.966 -0.476 18551 960 1 3 . 1 1 72 72 LEU C C 72 177.900 177.900 178.646 -0.746 18551 961 1 3 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.620 0.180 18551 962 1 3 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.743 -1.443 18551 963 1 3 . 1 1 73 73 THR N N 73 117.100 117.100 112.283 4.817 18551 964 1 3 . 1 1 73 73 THR HA H 73 3.710 3.710 3.987 -0.277 18551 965 1 3 . 1 1 73 73 THR C C 73 176.100 176.100 176.822 -0.722 18551 966 1 3 . 1 1 73 73 THR CA C 73 67.300 67.300 65.350 1.950 18551 967 1 3 . 1 1 73 73 THR CB C 73 68.700 68.700 68.519 0.181 18551 968 1 3 . 1 1 74 74 ARG N N 74 120.200 120.200 120.063 0.137 18551 969 1 3 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.978 0.002 18551 970 1 3 . 1 1 74 74 ARG C C 74 178.500 178.500 178.469 0.031 18551 971 1 3 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.118 0.482 18551 972 1 3 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.908 0.192 18551 973 1 3 . 1 1 75 75 HIS N N 75 118.700 118.700 119.809 -1.109 18551 974 1 3 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.394 -0.124 18551 975 1 3 . 1 1 75 75 HIS C C 75 176.900 176.900 177.461 -0.561 18551 976 1 3 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.744 -0.144 18551 977 1 3 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.381 -1.481 18551 978 1 3 . 1 1 76 76 ILE N N 76 121.600 121.600 118.529 3.071 18551 979 1 3 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.996 -0.576 18551 980 1 3 . 1 1 76 76 ILE C C 76 177.800 177.800 177.222 0.578 18551 981 1 3 . 1 1 76 76 ILE CA C 76 66.300 66.300 64.300 2.000 18551 982 1 3 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.523 0.478 18551 983 1 3 . 1 1 77 77 ASN N N 77 115.900 115.900 117.507 -1.607 18551 984 1 3 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.588 -0.318 18551 985 1 3 . 1 1 77 77 ASN C C 77 176.400 176.400 176.327 0.073 18551 986 1 3 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.203 0.597 18551 987 1 3 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.689 -0.289 18551 988 1 3 . 1 1 78 78 LYS N N 78 116.200 116.200 119.820 -3.620 18551 989 1 3 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.315 -0.145 18551 990 1 3 . 1 1 78 78 LYS C C 78 178.400 178.400 176.897 1.503 18551 991 1 3 . 1 1 78 78 LYS CA C 78 58.100 58.100 57.614 0.486 18551 992 1 3 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.893 0.107 18551 993 1 3 . 1 1 79 79 CYS N N 79 113.900 113.900 117.180 -3.280 18551 994 1 3 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.430 -0.340 18551 995 1 3 . 1 1 79 79 CYS C C 79 174.200 174.200 173.842 0.358 18551 996 1 3 . 1 1 79 79 CYS CA C 79 60.700 60.700 57.989 2.711 18551 997 1 3 . 1 1 79 79 CYS CB C 79 28.000 28.000 27.632 0.368 18551 998 1 3 . 1 1 80 80 HIS N N 80 117.000 117.000 117.092 -0.092 18551 999 1 3 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.893 0.387 18551 1000 1 3 . 1 1 80 80 HIS CA C 80 51.700 51.700 54.464 -2.764 18551 1001 1 3 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.119 -2.419 18551 1002 1 3 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.851 -0.531 18551 1003 1 3 . 1 1 81 81 PRO C C 81 178.100 178.100 177.844 0.256 18551 1004 1 3 . 1 1 81 81 PRO CA C 81 64.700 64.700 64.495 0.205 18551 1005 1 3 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.113 -0.613 18551 1006 1 3 . 1 1 82 82 SER N N 82 114.100 114.100 114.601 -0.501 18551 1007 1 3 . 1 1 82 82 SER HA H 82 4.340 4.340 4.221 0.119 18551 1008 1 3 . 1 1 82 82 SER C C 82 174.900 174.900 175.101 -0.201 18551 1009 1 3 . 1 1 82 82 SER CA C 82 59.000 59.000 59.748 -0.748 18551 1010 1 3 . 1 1 82 82 SER CB C 82 63.300 63.300 62.937 0.363 18551 1011 1 3 . 1 1 83 83 GLU N N 83 120.600 120.600 118.405 2.195 18551 1012 1 3 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.048 0.182 18551 1013 1 3 . 1 1 83 83 GLU C C 83 176.300 176.300 175.513 0.787 18551 1014 1 3 . 1 1 83 83 GLU CA C 83 56.100 56.100 56.918 -0.818 18551 1015 1 3 . 1 1 83 83 GLU CB C 83 29.400 29.400 27.181 2.219 18551 1016 1 3 . 1 1 84 84 ASN N N 84 119.100 119.100 116.976 2.124 18551 1017 1 3 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.741 -0.031 18551 1018 1 3 . 1 1 84 84 ASN C C 84 174.100 174.100 173.148 0.952 18551 1019 1 3 . 1 1 84 84 ASN CA C 84 53.200 53.200 53.578 -0.378 18551 1020 1 3 . 1 1 84 84 ASN CB C 84 39.000 39.000 39.686 -0.686 18551 1021 1 4 . 1 1 11 11 MET HA H 11 4.440 4.440 4.533 -0.093 18551 1022 1 4 . 1 1 11 11 MET C C 11 176.600 176.600 173.940 2.660 18551 1023 1 4 . 1 1 11 11 MET CA C 11 55.600 55.600 55.647 -0.047 18551 1024 1 4 . 1 1 11 11 MET CB C 11 32.700 32.700 35.631 -2.931 18551 1025 1 4 . 1 1 12 12 GLY N N 12 110.000 110.000 113.751 -3.751 18551 1026 1 4 . 1 1 12 12 GLY C C 12 173.900 173.900 172.166 1.734 18551 1027 1 4 . 1 1 12 12 GLY CA C 12 45.300 45.300 45.008 0.292 18551 1028 1 4 . 1 1 13 13 ASP N N 13 120.500 120.500 120.034 0.466 18551 1029 1 4 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.534 0.106 18551 1030 1 4 . 1 1 13 13 ASP C C 13 176.900 176.900 175.392 1.508 18551 1031 1 4 . 1 1 13 13 ASP CA C 13 54.500 54.500 53.288 1.212 18551 1032 1 4 . 1 1 13 13 ASP CB C 13 41.400 41.400 41.675 -0.275 18551 1033 1 4 . 1 1 14 14 GLY N N 14 109.300 109.300 108.030 1.270 18551 1034 1 4 . 1 1 14 14 GLY C C 14 174.500 174.500 173.960 0.540 18551 1035 1 4 . 1 1 14 14 GLY CA C 14 45.500 45.500 45.410 0.090 18551 1036 1 4 . 1 1 15 15 GLU N N 15 120.600 120.600 122.016 -1.416 18551 1037 1 4 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.352 -0.072 18551 1038 1 4 . 1 1 15 15 GLU C C 15 177.200 177.200 177.664 -0.464 18551 1039 1 4 . 1 1 15 15 GLU CA C 15 56.800 56.800 56.413 0.387 18551 1040 1 4 . 1 1 15 15 GLU CB C 15 30.100 30.100 29.855 0.245 18551 1041 1 4 . 1 1 16 16 GLY N N 16 109.900 109.900 108.212 1.688 18551 1042 1 4 . 1 1 16 16 GLY C C 16 174.100 174.100 173.544 0.556 18551 1043 1 4 . 1 1 16 16 GLY CA C 16 45.500 45.500 44.599 0.901 18551 1044 1 4 . 1 1 17 17 ALA N N 17 123.500 123.500 124.761 -1.261 18551 1045 1 4 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.630 -0.330 18551 1046 1 4 . 1 1 17 17 ALA C C 17 178.300 178.300 176.934 1.366 18551 1047 1 4 . 1 1 17 17 ALA CA C 17 52.800 52.800 51.650 1.150 18551 1048 1 4 . 1 1 17 17 ALA CB C 17 19.300 19.300 20.140 -0.840 18551 1049 1 4 . 1 1 18 18 GLY N N 18 108.000 108.000 109.492 -1.492 18551 1050 1 4 . 1 1 18 18 GLY C C 18 174.400 174.400 173.523 0.877 18551 1051 1 4 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.463 -0.063 18551 1052 1 4 . 1 1 19 19 VAL N N 19 119.100 119.100 118.936 0.164 18551 1053 1 4 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.444 -0.354 18551 1054 1 4 . 1 1 19 19 VAL C C 19 176.400 176.400 174.527 1.873 18551 1055 1 4 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.128 1.372 18551 1056 1 4 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.819 -0.319 18551 1057 1 4 . 1 1 20 20 LEU N N 20 125.100 125.100 117.415 7.685 18551 1058 1 4 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.847 -0.517 18551 1059 1 4 . 1 1 20 20 LEU C C 20 177.900 177.900 175.192 2.708 18551 1060 1 4 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.595 0.805 18551 1061 1 4 . 1 1 20 20 LEU CB C 20 42.200 42.200 43.269 -1.069 18551 1062 1 4 . 1 1 21 21 GLY N N 21 109.300 109.300 107.154 2.146 18551 1063 1 4 . 1 1 21 21 GLY C C 21 174.200 174.200 173.255 0.945 18551 1064 1 4 . 1 1 21 21 GLY CA C 21 45.400 45.400 45.369 0.031 18551 1065 1 4 . 1 1 22 22 LEU N N 22 121.600 121.600 123.870 -2.270 18551 1066 1 4 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.596 -0.226 18551 1067 1 4 . 1 1 22 22 LEU C C 22 177.600 177.600 178.028 -0.428 18551 1068 1 4 . 1 1 22 22 LEU CA C 22 55.200 55.200 55.037 0.163 18551 1069 1 4 . 1 1 22 22 LEU CB C 22 42.500 42.500 42.307 0.193 18551 1070 1 4 . 1 1 23 23 SER N N 23 116.500 116.500 121.028 -4.528 18551 1071 1 4 . 1 1 23 23 SER HA H 23 4.440 4.440 4.021 0.419 18551 1072 1 4 . 1 1 23 23 SER C C 23 174.300 174.300 174.215 0.085 18551 1073 1 4 . 1 1 23 23 SER CA C 23 58.300 58.300 60.076 -1.776 18551 1074 1 4 . 1 1 23 23 SER CB C 23 63.800 63.800 62.971 0.829 18551 1075 1 4 . 1 1 24 24 ALA N N 24 126.000 126.000 123.290 2.710 18551 1076 1 4 . 1 1 24 24 ALA HA H 24 4.350 4.350 3.984 0.366 18551 1077 1 4 . 1 1 24 24 ALA C C 24 177.700 177.700 176.919 0.781 18551 1078 1 4 . 1 1 24 24 ALA CA C 24 52.700 52.700 52.643 0.057 18551 1079 1 4 . 1 1 24 24 ALA CB C 24 19.400 19.400 17.958 1.442 18551 1080 1 4 . 1 1 25 25 SER N N 25 114.700 114.700 114.254 0.446 18551 1081 1 4 . 1 1 25 25 SER HA H 25 4.430 4.430 4.307 0.123 18551 1082 1 4 . 1 1 25 25 SER C C 25 174.200 174.200 175.045 -0.845 18551 1083 1 4 . 1 1 25 25 SER CA C 25 58.200 58.200 59.557 -1.357 18551 1084 1 4 . 1 1 25 25 SER CB C 25 63.900 63.900 63.109 0.791 18551 1085 1 4 . 1 1 26 26 ALA N N 26 125.900 125.900 123.032 2.868 18551 1086 1 4 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.537 -0.197 18551 1087 1 4 . 1 1 26 26 ALA C C 26 177.400 177.400 176.248 1.152 18551 1088 1 4 . 1 1 26 26 ALA CA C 26 52.500 52.500 51.019 1.482 18551 1089 1 4 . 1 1 26 26 ALA CB C 26 19.400 19.400 21.362 -1.962 18551 1090 1 4 . 1 1 27 27 GLU N N 27 120.100 120.100 120.236 -0.136 18551 1091 1 4 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.258 -0.018 18551 1092 1 4 . 1 1 27 27 GLU C C 27 175.400 175.400 177.400 -2.000 18551 1093 1 4 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.745 -0.545 18551 1094 1 4 . 1 1 27 27 GLU CB C 27 30.700 30.700 30.696 0.004 18551 1095 1 4 . 1 1 28 28 CYS N N 28 119.400 119.400 116.919 2.481 18551 1096 1 4 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.133 0.457 18551 1097 1 4 . 1 1 28 28 CYS C C 28 173.000 173.000 174.268 -1.268 18551 1098 1 4 . 1 1 28 28 CYS CA C 28 57.900 57.900 61.073 -3.173 18551 1099 1 4 . 1 1 28 28 CYS CB C 28 28.700 28.700 26.561 2.139 18551 1100 1 4 . 1 1 29 29 HIS N N 29 124.500 124.500 116.421 8.079 18551 1101 1 4 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.845 -0.205 18551 1102 1 4 . 1 1 29 29 HIS C C 29 174.700 174.700 173.053 1.647 18551 1103 1 4 . 1 1 29 29 HIS CA C 29 55.300 55.300 54.575 0.725 18551 1104 1 4 . 1 1 29 29 HIS CB C 29 32.400 32.400 30.940 1.460 18551 1105 1 4 . 1 1 30 30 LEU N N 30 123.900 123.900 123.226 0.674 18551 1106 1 4 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.179 -0.109 18551 1107 1 4 . 1 1 30 30 LEU C C 30 178.500 178.500 177.247 1.253 18551 1108 1 4 . 1 1 30 30 LEU CA C 30 53.800 53.800 52.824 0.976 18551 1109 1 4 . 1 1 30 30 LEU CB C 30 43.700 43.700 43.594 0.106 18551 1110 1 4 . 1 1 31 31 CYS N N 31 126.700 126.700 124.688 2.012 18551 1111 1 4 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.684 0.126 18551 1112 1 4 . 1 1 31 31 CYS C C 31 53.800 53.800 175.458 -121.658 18551 1113 1 4 . 1 1 31 31 CYS CA C 31 57.100 57.100 57.315 -0.215 18551 1114 1 4 . 1 1 31 31 CYS CB C 31 30.300 30.300 27.275 3.025 18551 1115 1 4 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.154 0.306 18551 1116 1 4 . 1 1 32 32 PRO C C 32 176.000 176.000 176.289 -0.289 18551 1117 1 4 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.129 -1.129 18551 1118 1 4 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.591 0.609 18551 1119 1 4 . 1 1 33 33 VAL N N 33 122.000 122.000 111.777 10.223 18551 1120 1 4 . 1 1 33 33 VAL HA H 33 3.810 3.810 4.054 -0.244 18551 1121 1 4 . 1 1 33 33 VAL C C 33 176.700 176.700 175.225 1.475 18551 1122 1 4 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.526 2.274 18551 1123 1 4 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.148 0.552 18551 1124 1 4 . 1 1 34 34 CYS N N 34 117.100 117.100 115.942 1.158 18551 1125 1 4 . 1 1 34 34 CYS HA H 34 5.170 5.170 5.294 -0.124 18551 1126 1 4 . 1 1 34 34 CYS C C 34 176.800 176.800 175.070 1.730 18551 1127 1 4 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.122 2.378 18551 1128 1 4 . 1 1 34 34 CYS CB C 34 32.700 32.700 29.034 3.666 18551 1129 1 4 . 1 1 35 35 GLY N N 35 112.500 112.500 111.483 1.017 18551 1130 1 4 . 1 1 35 35 GLY C C 35 173.200 173.200 173.117 0.083 18551 1131 1 4 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.013 0.387 18551 1132 1 4 . 1 1 36 36 GLU N N 36 122.500 122.500 124.684 -2.184 18551 1133 1 4 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.324 -0.334 18551 1134 1 4 . 1 1 36 36 GLU C C 36 173.800 173.800 174.164 -0.364 18551 1135 1 4 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.504 2.396 18551 1136 1 4 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.966 -1.466 18551 1137 1 4 . 1 1 37 37 SER N N 37 116.300 116.300 121.740 -5.440 18551 1138 1 4 . 1 1 37 37 SER HA H 37 4.820 4.820 4.431 0.389 18551 1139 1 4 . 1 1 37 37 SER C C 37 173.300 173.300 173.456 -0.156 18551 1140 1 4 . 1 1 37 37 SER CA C 37 57.200 57.200 58.109 -0.909 18551 1141 1 4 . 1 1 37 37 SER CB C 37 65.300 65.300 62.843 2.457 18551 1142 1 4 . 1 1 38 38 PHE N N 38 120.000 120.000 125.117 -5.117 18551 1143 1 4 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.609 0.041 18551 1144 1 4 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.113 0.287 18551 1145 1 4 . 1 1 38 38 PHE CB C 38 44.000 44.000 40.789 3.211 18551 1146 1 4 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.067 0.523 18551 1147 1 4 . 1 1 39 39 ALA C C 39 176.700 176.700 177.893 -1.193 18551 1148 1 4 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.434 -0.734 18551 1149 1 4 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.073 0.327 18551 1150 1 4 . 1 1 40 40 SER N N 40 107.500 107.500 114.109 -6.609 18551 1151 1 4 . 1 1 40 40 SER HA H 40 4.560 4.560 4.669 -0.109 18551 1152 1 4 . 1 1 40 40 SER C C 40 173.400 173.400 175.612 -2.212 18551 1153 1 4 . 1 1 40 40 SER CA C 40 56.100 56.100 56.998 -0.898 18551 1154 1 4 . 1 1 40 40 SER CB C 40 66.400 66.400 63.783 2.617 18551 1155 1 4 . 1 1 41 41 LYS N N 41 124.400 124.400 130.597 -6.197 18551 1156 1 4 . 1 1 41 41 LYS HA H 41 3.440 3.440 4.004 -0.564 18551 1157 1 4 . 1 1 41 41 LYS C C 41 178.600 178.600 177.823 0.777 18551 1158 1 4 . 1 1 41 41 LYS CA C 41 58.200 58.200 57.902 0.298 18551 1159 1 4 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.203 -0.103 18551 1160 1 4 . 1 1 42 42 GLY N N 42 105.900 105.900 106.931 -1.031 18551 1161 1 4 . 1 1 42 42 GLY C C 42 176.700 176.700 175.523 1.177 18551 1162 1 4 . 1 1 42 42 GLY CA C 42 46.900 46.900 47.190 -0.290 18551 1163 1 4 . 1 1 43 43 ALA N N 43 123.500 123.500 123.528 -0.028 18551 1164 1 4 . 1 1 43 43 ALA HA H 43 4.050 4.050 4.077 -0.027 18551 1165 1 4 . 1 1 43 43 ALA C C 43 179.700 179.700 179.161 0.539 18551 1166 1 4 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.071 0.630 18551 1167 1 4 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.073 0.727 18551 1168 1 4 . 1 1 44 44 GLN N N 44 121.800 121.800 119.123 2.677 18551 1169 1 4 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.420 -0.820 18551 1170 1 4 . 1 1 44 44 GLN C C 44 177.500 177.500 178.165 -0.665 18551 1171 1 4 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.452 0.948 18551 1172 1 4 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.279 -0.679 18551 1173 1 4 . 1 1 45 45 GLU N N 45 120.200 120.200 118.297 1.903 18551 1174 1 4 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.099 -0.329 18551 1175 1 4 . 1 1 45 45 GLU C C 45 179.000 179.000 178.770 0.230 18551 1176 1 4 . 1 1 45 45 GLU CA C 45 59.900 59.900 58.426 1.474 18551 1177 1 4 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.276 0.124 18551 1178 1 4 . 1 1 46 46 ARG N N 46 119.900 119.900 119.173 0.727 18551 1179 1 4 . 1 1 46 46 ARG HA H 46 3.900 3.900 3.992 -0.092 18551 1180 1 4 . 1 1 46 46 ARG C C 46 177.800 177.800 178.594 -0.794 18551 1181 1 4 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.076 0.524 18551 1182 1 4 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.651 0.449 18551 1183 1 4 . 1 1 47 47 HIS N N 47 118.200 118.200 119.162 -0.962 18551 1184 1 4 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.326 -0.186 18551 1185 1 4 . 1 1 47 47 HIS C C 47 176.300 176.300 177.627 -1.327 18551 1186 1 4 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.766 -0.166 18551 1187 1 4 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.371 -2.471 18551 1188 1 4 . 1 1 48 48 LEU N N 48 120.000 120.000 117.857 2.143 18551 1189 1 4 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.433 -0.623 18551 1190 1 4 . 1 1 48 48 LEU C C 48 178.500 178.500 179.598 -1.098 18551 1191 1 4 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.658 1.542 18551 1192 1 4 . 1 1 48 48 LEU CB C 48 42.700 42.700 41.656 1.044 18551 1193 1 4 . 1 1 49 49 ARG N N 49 115.400 115.400 116.828 -1.428 18551 1194 1 4 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.234 -0.334 18551 1195 1 4 . 1 1 49 49 ARG C C 49 177.600 177.600 177.199 0.401 18551 1196 1 4 . 1 1 49 49 ARG CA C 49 58.700 58.700 57.864 0.836 18551 1197 1 4 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.591 -0.091 18551 1198 1 4 . 1 1 50 50 LEU N N 50 117.200 117.200 116.512 0.688 18551 1199 1 4 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.476 -0.276 18551 1200 1 4 . 1 1 50 50 LEU C C 50 179.000 179.000 178.568 0.432 18551 1201 1 4 . 1 1 50 50 LEU CA C 50 56.800 56.800 55.798 1.002 18551 1202 1 4 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.872 -0.172 18551 1203 1 4 . 1 1 51 51 LEU N N 51 117.800 117.800 117.781 0.019 18551 1204 1 4 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.052 0.218 18551 1205 1 4 . 1 1 51 51 LEU C C 51 178.100 178.100 177.472 0.628 18551 1206 1 4 . 1 1 51 51 LEU CA C 51 55.000 55.000 56.057 -1.057 18551 1207 1 4 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.141 -0.941 18551 1208 1 4 . 1 1 52 52 HIS N N 52 115.300 115.300 114.950 0.350 18551 1209 1 4 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.690 0.670 18551 1210 1 4 . 1 1 52 52 HIS C C 52 175.000 175.000 174.602 0.398 18551 1211 1 4 . 1 1 52 52 HIS CA C 52 52.800 52.800 55.545 -2.745 18551 1212 1 4 . 1 1 52 52 HIS CB C 52 28.900 28.900 30.575 -1.675 18551 1213 1 4 . 1 1 53 53 ALA N N 53 122.100 122.100 122.798 -0.698 18551 1214 1 4 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.669 -0.599 18551 1215 1 4 . 1 1 53 53 ALA C C 53 178.300 178.300 178.287 0.013 18551 1216 1 4 . 1 1 53 53 ALA CA C 53 54.600 54.600 53.522 1.078 18551 1217 1 4 . 1 1 53 53 ALA CB C 53 18.600 18.600 19.231 -0.631 18551 1218 1 4 . 1 1 54 54 ALA N N 54 118.200 118.200 119.417 -1.217 18551 1219 1 4 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.009 0.281 18551 1220 1 4 . 1 1 54 54 ALA C C 54 177.700 177.700 178.121 -0.421 18551 1221 1 4 . 1 1 54 54 ALA CA C 54 52.800 52.800 53.944 -1.144 18551 1222 1 4 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.173 0.827 18551 1223 1 4 . 1 1 55 55 GLN N N 55 118.200 118.200 114.791 3.409 18551 1224 1 4 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.413 -0.033 18551 1225 1 4 . 1 1 55 55 GLN C C 55 173.700 173.700 175.447 -1.747 18551 1226 1 4 . 1 1 55 55 GLN CA C 55 55.500 55.500 54.934 0.566 18551 1227 1 4 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.643 0.657 18551 1228 1 4 . 1 1 56 56 VAL N N 56 115.300 115.300 114.365 0.935 18551 1229 1 4 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.456 -0.046 18551 1230 1 4 . 1 1 56 56 VAL C C 56 174.500 174.500 174.221 0.279 18551 1231 1 4 . 1 1 56 56 VAL CA C 56 60.900 60.900 60.338 0.562 18551 1232 1 4 . 1 1 56 56 VAL CB C 56 33.900 33.900 33.754 0.146 18551 1233 1 4 . 1 1 57 57 PHE N N 57 122.700 122.700 121.835 0.865 18551 1234 1 4 . 1 1 57 57 PHE HA H 57 4.830 4.830 5.028 -0.198 18551 1235 1 4 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.139 0.061 18551 1236 1 4 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.755 -0.755 18551 1237 1 4 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.756 -0.036 18551 1238 1 4 . 1 1 58 58 PRO C C 58 175.700 175.700 176.230 -0.530 18551 1239 1 4 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.338 -0.238 18551 1240 1 4 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.510 0.790 18551 1241 1 4 . 1 1 59 59 CYS N N 59 125.200 125.200 126.243 -1.043 18551 1242 1 4 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.501 -0.081 18551 1243 1 4 . 1 1 59 59 CYS C C 59 176.300 176.300 176.416 -0.116 18551 1244 1 4 . 1 1 59 59 CYS CA C 59 60.800 60.800 58.925 1.875 18551 1245 1 4 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.371 2.129 18551 1246 1 4 . 1 1 60 60 LYS N N 60 126.400 126.400 128.868 -2.468 18551 1247 1 4 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.912 0.248 18551 1248 1 4 . 1 1 60 60 LYS C C 60 176.800 176.800 176.969 -0.169 18551 1249 1 4 . 1 1 60 60 LYS CA C 60 57.100 57.100 59.213 -2.113 18551 1250 1 4 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.991 0.409 18551 1251 1 4 . 1 1 61 61 TYR N N 61 121.900 121.900 114.557 7.343 18551 1252 1 4 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.514 -0.004 18551 1253 1 4 . 1 1 61 61 TYR C C 61 174.300 174.300 176.359 -2.059 18551 1254 1 4 . 1 1 61 61 TYR CA C 61 57.700 57.700 58.042 -0.342 18551 1255 1 4 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.783 -0.783 18551 1256 1 4 . 1 1 62 62 CYS N N 62 122.800 122.800 117.407 5.393 18551 1257 1 4 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.955 0.115 18551 1258 1 4 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.391 2.809 18551 1259 1 4 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.452 0.148 18551 1260 1 4 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.320 0.250 18551 1261 1 4 . 1 1 63 63 PRO C C 63 176.500 176.500 175.742 0.758 18551 1262 1 4 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.599 0.501 18551 1263 1 4 . 1 1 63 63 PRO CB C 63 31.900 31.900 29.943 1.957 18551 1264 1 4 . 1 1 64 64 ALA N N 64 125.400 125.400 128.166 -2.766 18551 1265 1 4 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.271 -0.241 18551 1266 1 4 . 1 1 64 64 ALA C C 64 176.100 176.100 175.005 1.095 18551 1267 1 4 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.968 1.932 18551 1268 1 4 . 1 1 64 64 ALA CB C 64 20.200 20.200 20.570 -0.370 18551 1269 1 4 . 1 1 65 65 THR N N 65 113.200 113.200 118.833 -5.633 18551 1270 1 4 . 1 1 65 65 THR HA H 65 4.440 4.440 4.311 0.129 18551 1271 1 4 . 1 1 65 65 THR C C 65 171.400 171.400 173.322 -1.922 18551 1272 1 4 . 1 1 65 65 THR CA C 65 61.400 61.400 61.731 -0.331 18551 1273 1 4 . 1 1 65 65 THR CB C 65 71.600 71.600 69.322 2.278 18551 1274 1 4 . 1 1 66 66 PHE N N 66 120.900 120.900 123.994 -3.094 18551 1275 1 4 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.686 -0.266 18551 1276 1 4 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.573 0.627 18551 1277 1 4 . 1 1 66 66 PHE CB C 66 42.700 42.700 42.087 0.613 18551 1278 1 4 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.853 0.427 18551 1279 1 4 . 1 1 67 67 TYR C C 67 174.800 174.800 174.859 -0.059 18551 1280 1 4 . 1 1 67 67 TYR CA C 67 57.800 57.800 57.066 0.734 18551 1281 1 4 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.361 0.139 18551 1282 1 4 . 1 1 68 68 SER N N 68 112.800 112.800 112.720 0.080 18551 1283 1 4 . 1 1 68 68 SER HA H 68 4.440 4.440 4.819 -0.379 18551 1284 1 4 . 1 1 68 68 SER C C 68 172.200 172.200 173.952 -1.752 18551 1285 1 4 . 1 1 68 68 SER CA C 68 57.000 57.000 57.912 -0.912 18551 1286 1 4 . 1 1 68 68 SER CB C 68 66.400 66.400 65.664 0.736 18551 1287 1 4 . 1 1 69 69 SER N N 69 117.800 117.800 120.702 -2.902 18551 1288 1 4 . 1 1 69 69 SER HA H 69 3.630 3.630 3.785 -0.155 18551 1289 1 4 . 1 1 69 69 SER CA C 69 61.900 61.900 60.944 0.956 18551 1290 1 4 . 1 1 69 69 SER CB C 69 60.900 60.900 60.958 -0.058 18551 1291 1 4 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.233 0.027 18551 1292 1 4 . 1 1 70 70 PRO C C 70 179.000 179.000 178.883 0.117 18551 1293 1 4 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.187 0.513 18551 1294 1 4 . 1 1 70 70 PRO CB C 70 31.000 31.000 30.995 0.005 18551 1295 1 4 . 1 1 71 71 GLY N N 71 105.000 105.000 106.542 -1.542 18551 1296 1 4 . 1 1 71 71 GLY C C 71 175.700 175.700 175.889 -0.189 18551 1297 1 4 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.359 0.341 18551 1298 1 4 . 1 1 72 72 LEU N N 72 123.600 123.600 122.079 1.521 18551 1299 1 4 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.807 -0.317 18551 1300 1 4 . 1 1 72 72 LEU C C 72 177.900 177.900 178.636 -0.736 18551 1301 1 4 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.271 0.529 18551 1302 1 4 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.675 -1.375 18551 1303 1 4 . 1 1 73 73 THR N N 73 117.100 117.100 115.268 1.832 18551 1304 1 4 . 1 1 73 73 THR HA H 73 3.710 3.710 3.859 -0.149 18551 1305 1 4 . 1 1 73 73 THR C C 73 176.100 176.100 176.403 -0.303 18551 1306 1 4 . 1 1 73 73 THR CA C 73 67.300 67.300 66.956 0.344 18551 1307 1 4 . 1 1 73 73 THR CB C 73 68.700 68.700 68.473 0.227 18551 1308 1 4 . 1 1 74 74 ARG N N 74 120.200 120.200 118.283 1.917 18551 1309 1 4 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.901 0.079 18551 1310 1 4 . 1 1 74 74 ARG C C 74 178.500 178.500 178.085 0.415 18551 1311 1 4 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.326 0.274 18551 1312 1 4 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.917 0.183 18551 1313 1 4 . 1 1 75 75 HIS N N 75 118.700 118.700 120.201 -1.501 18551 1314 1 4 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.459 -0.189 18551 1315 1 4 . 1 1 75 75 HIS C C 75 176.900 176.900 177.318 -0.418 18551 1316 1 4 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.876 -0.276 18551 1317 1 4 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.705 -1.805 18551 1318 1 4 . 1 1 76 76 ILE N N 76 121.600 121.600 117.943 3.657 18551 1319 1 4 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.781 -0.361 18551 1320 1 4 . 1 1 76 76 ILE C C 76 177.800 177.800 177.127 0.673 18551 1321 1 4 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.399 0.901 18551 1322 1 4 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.835 0.165 18551 1323 1 4 . 1 1 77 77 ASN N N 77 115.900 115.900 115.255 0.645 18551 1324 1 4 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.214 0.056 18551 1325 1 4 . 1 1 77 77 ASN C C 77 176.400 176.400 176.799 -0.399 18551 1326 1 4 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.771 0.029 18551 1327 1 4 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.996 -0.596 18551 1328 1 4 . 1 1 78 78 LYS N N 78 116.200 116.200 119.723 -3.523 18551 1329 1 4 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.161 0.009 18551 1330 1 4 . 1 1 78 78 LYS C C 78 178.400 178.400 176.952 1.448 18551 1331 1 4 . 1 1 78 78 LYS CA C 78 58.100 58.100 59.308 -1.208 18551 1332 1 4 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.160 0.840 18551 1333 1 4 . 1 1 79 79 CYS N N 79 113.900 113.900 116.046 -2.146 18551 1334 1 4 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.445 -0.355 18551 1335 1 4 . 1 1 79 79 CYS C C 79 174.200 174.200 174.280 -0.080 18551 1336 1 4 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.000 2.700 18551 1337 1 4 . 1 1 79 79 CYS CB C 79 28.000 28.000 26.942 1.058 18551 1338 1 4 . 1 1 80 80 HIS N N 80 117.000 117.000 118.997 -1.997 18551 1339 1 4 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.835 0.445 18551 1340 1 4 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.224 -1.524 18551 1341 1 4 . 1 1 80 80 HIS CB C 80 28.700 28.700 30.606 -1.906 18551 1342 1 4 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.278 0.042 18551 1343 1 4 . 1 1 81 81 PRO C C 81 178.100 178.100 177.197 0.903 18551 1344 1 4 . 1 1 81 81 PRO CA C 81 64.700 64.700 64.522 0.178 18551 1345 1 4 . 1 1 81 81 PRO CB C 81 31.500 31.500 31.813 -0.313 18551 1346 1 4 . 1 1 82 82 SER N N 82 114.100 114.100 114.481 -0.381 18551 1347 1 4 . 1 1 82 82 SER HA H 82 4.340 4.340 4.714 -0.374 18551 1348 1 4 . 1 1 82 82 SER C C 82 174.900 174.900 174.231 0.669 18551 1349 1 4 . 1 1 82 82 SER CA C 82 59.000 59.000 58.041 0.959 18551 1350 1 4 . 1 1 82 82 SER CB C 82 63.300 63.300 63.391 -0.091 18551 1351 1 4 . 1 1 83 83 GLU N N 83 120.600 120.600 125.307 -4.707 18551 1352 1 4 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.329 -0.099 18551 1353 1 4 . 1 1 83 83 GLU C C 83 176.300 176.300 175.571 0.729 18551 1354 1 4 . 1 1 83 83 GLU CA C 83 56.100 56.100 55.653 0.447 18551 1355 1 4 . 1 1 83 83 GLU CB C 83 29.400 29.400 27.442 1.958 18551 1356 1 4 . 1 1 84 84 ASN N N 84 119.100 119.100 122.890 -3.790 18551 1357 1 4 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.782 -0.072 18551 1358 1 4 . 1 1 84 84 ASN C C 84 174.100 174.100 173.901 0.199 18551 1359 1 4 . 1 1 84 84 ASN CA C 84 53.200 53.200 52.944 0.256 18551 1360 1 4 . 1 1 84 84 ASN CB C 84 39.000 39.000 38.362 0.638 18551 1361 1 5 . 1 1 11 11 MET HA H 11 4.440 4.440 4.653 -0.213 18551 1362 1 5 . 1 1 11 11 MET C C 11 176.600 176.600 175.362 1.238 18551 1363 1 5 . 1 1 11 11 MET CA C 11 55.600 55.600 55.012 0.588 18551 1364 1 5 . 1 1 11 11 MET CB C 11 32.700 32.700 34.325 -1.625 18551 1365 1 5 . 1 1 12 12 GLY N N 12 110.000 110.000 110.438 -0.438 18551 1366 1 5 . 1 1 12 12 GLY C C 12 173.900 173.900 173.651 0.249 18551 1367 1 5 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.641 0.659 18551 1368 1 5 . 1 1 13 13 ASP N N 13 120.500 120.500 121.209 -0.709 18551 1369 1 5 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.719 -0.079 18551 1370 1 5 . 1 1 13 13 ASP C C 13 176.900 176.900 176.984 -0.084 18551 1371 1 5 . 1 1 13 13 ASP CA C 13 54.500 54.500 54.905 -0.405 18551 1372 1 5 . 1 1 13 13 ASP CB C 13 41.400 41.400 43.131 -1.731 18551 1373 1 5 . 1 1 14 14 GLY N N 14 109.300 109.300 110.139 -0.839 18551 1374 1 5 . 1 1 14 14 GLY C C 14 174.500 174.500 174.290 0.210 18551 1375 1 5 . 1 1 14 14 GLY CA C 14 45.500 45.500 45.451 0.049 18551 1376 1 5 . 1 1 15 15 GLU N N 15 120.600 120.600 119.555 1.045 18551 1377 1 5 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.380 -0.100 18551 1378 1 5 . 1 1 15 15 GLU C C 15 177.200 177.200 175.099 2.101 18551 1379 1 5 . 1 1 15 15 GLU CA C 15 56.800 56.800 56.136 0.664 18551 1380 1 5 . 1 1 15 15 GLU CB C 15 30.100 30.100 31.241 -1.141 18551 1381 1 5 . 1 1 16 16 GLY N N 16 109.900 109.900 111.465 -1.565 18551 1382 1 5 . 1 1 16 16 GLY C C 16 174.100 174.100 173.694 0.406 18551 1383 1 5 . 1 1 16 16 GLY CA C 16 45.500 45.500 45.509 -0.009 18551 1384 1 5 . 1 1 17 17 ALA N N 17 123.500 123.500 125.105 -1.605 18551 1385 1 5 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.753 -0.453 18551 1386 1 5 . 1 1 17 17 ALA C C 17 178.300 178.300 177.350 0.950 18551 1387 1 5 . 1 1 17 17 ALA CA C 17 52.800 52.800 51.561 1.239 18551 1388 1 5 . 1 1 17 17 ALA CB C 17 19.300 19.300 18.324 0.976 18551 1389 1 5 . 1 1 18 18 GLY N N 18 108.000 108.000 110.777 -2.777 18551 1390 1 5 . 1 1 18 18 GLY C C 18 174.400 174.400 173.145 1.255 18551 1391 1 5 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.425 -0.025 18551 1392 1 5 . 1 1 19 19 VAL N N 19 119.100 119.100 119.334 -0.234 18551 1393 1 5 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.664 -0.574 18551 1394 1 5 . 1 1 19 19 VAL C C 19 176.400 176.400 174.586 1.814 18551 1395 1 5 . 1 1 19 19 VAL CA C 19 62.500 62.500 60.745 1.755 18551 1396 1 5 . 1 1 19 19 VAL CB C 19 32.500 32.500 33.851 -1.351 18551 1397 1 5 . 1 1 20 20 LEU N N 20 125.100 125.100 117.677 7.423 18551 1398 1 5 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.843 -0.513 18551 1399 1 5 . 1 1 20 20 LEU C C 20 177.900 177.900 176.081 1.819 18551 1400 1 5 . 1 1 20 20 LEU CA C 20 55.400 55.400 55.238 0.162 18551 1401 1 5 . 1 1 20 20 LEU CB C 20 42.200 42.200 43.654 -1.454 18551 1402 1 5 . 1 1 21 21 GLY N N 21 109.300 109.300 109.468 -0.168 18551 1403 1 5 . 1 1 21 21 GLY C C 21 174.200 174.200 174.574 -0.374 18551 1404 1 5 . 1 1 21 21 GLY CA C 21 45.400 45.400 45.556 -0.156 18551 1405 1 5 . 1 1 22 22 LEU N N 22 121.600 121.600 120.638 0.962 18551 1406 1 5 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.398 -0.028 18551 1407 1 5 . 1 1 22 22 LEU C C 22 177.600 177.600 177.181 0.419 18551 1408 1 5 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.797 0.403 18551 1409 1 5 . 1 1 22 22 LEU CB C 22 42.500 42.500 42.179 0.321 18551 1410 1 5 . 1 1 23 23 SER N N 23 116.500 116.500 116.593 -0.093 18551 1411 1 5 . 1 1 23 23 SER HA H 23 4.440 4.440 4.354 0.086 18551 1412 1 5 . 1 1 23 23 SER C C 23 174.300 174.300 175.600 -1.300 18551 1413 1 5 . 1 1 23 23 SER CA C 23 58.300 58.300 58.180 0.120 18551 1414 1 5 . 1 1 23 23 SER CB C 23 63.800 63.800 63.402 0.398 18551 1415 1 5 . 1 1 24 24 ALA N N 24 126.000 126.000 129.850 -3.850 18551 1416 1 5 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.123 0.227 18551 1417 1 5 . 1 1 24 24 ALA C C 24 177.700 177.700 177.332 0.368 18551 1418 1 5 . 1 1 24 24 ALA CA C 24 52.700 52.700 53.257 -0.557 18551 1419 1 5 . 1 1 24 24 ALA CB C 24 19.400 19.400 19.062 0.338 18551 1420 1 5 . 1 1 25 25 SER N N 25 114.700 114.700 112.562 2.138 18551 1421 1 5 . 1 1 25 25 SER HA H 25 4.430 4.430 4.097 0.333 18551 1422 1 5 . 1 1 25 25 SER C C 25 174.200 174.200 173.673 0.527 18551 1423 1 5 . 1 1 25 25 SER CA C 25 58.200 58.200 58.104 0.096 18551 1424 1 5 . 1 1 25 25 SER CB C 25 63.900 63.900 62.117 1.783 18551 1425 1 5 . 1 1 26 26 ALA N N 26 125.900 125.900 126.617 -0.717 18551 1426 1 5 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.312 0.028 18551 1427 1 5 . 1 1 26 26 ALA C C 26 177.400 177.400 177.188 0.212 18551 1428 1 5 . 1 1 26 26 ALA CA C 26 52.500 52.500 51.671 0.829 18551 1429 1 5 . 1 1 26 26 ALA CB C 26 19.400 19.400 19.845 -0.445 18551 1430 1 5 . 1 1 27 27 GLU N N 27 120.100 120.100 120.153 -0.053 18551 1431 1 5 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.138 0.102 18551 1432 1 5 . 1 1 27 27 GLU C C 27 175.400 175.400 175.580 -0.180 18551 1433 1 5 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.711 -0.511 18551 1434 1 5 . 1 1 27 27 GLU CB C 27 30.700 30.700 28.300 2.400 18551 1435 1 5 . 1 1 28 28 CYS N N 28 119.400 119.400 122.557 -3.157 18551 1436 1 5 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.772 -0.182 18551 1437 1 5 . 1 1 28 28 CYS C C 28 173.000 173.000 173.701 -0.701 18551 1438 1 5 . 1 1 28 28 CYS CA C 28 57.900 57.900 56.714 1.186 18551 1439 1 5 . 1 1 28 28 CYS CB C 28 28.700 28.700 31.331 -2.631 18551 1440 1 5 . 1 1 29 29 HIS N N 29 124.500 124.500 120.193 4.307 18551 1441 1 5 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.506 0.134 18551 1442 1 5 . 1 1 29 29 HIS C C 29 174.700 174.700 174.338 0.362 18551 1443 1 5 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.878 -1.578 18551 1444 1 5 . 1 1 29 29 HIS CB C 29 32.400 32.400 29.317 3.083 18551 1445 1 5 . 1 1 30 30 LEU N N 30 123.900 123.900 125.067 -1.167 18551 1446 1 5 . 1 1 30 30 LEU HA H 30 5.070 5.070 4.888 0.182 18551 1447 1 5 . 1 1 30 30 LEU C C 30 178.500 178.500 176.961 1.539 18551 1448 1 5 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.048 0.751 18551 1449 1 5 . 1 1 30 30 LEU CB C 30 43.700 43.700 43.297 0.403 18551 1450 1 5 . 1 1 31 31 CYS N N 31 126.700 126.700 127.170 -0.470 18551 1451 1 5 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.692 0.118 18551 1452 1 5 . 1 1 31 31 CYS C C 31 53.800 53.800 175.389 -121.589 18551 1453 1 5 . 1 1 31 31 CYS CA C 31 57.100 57.100 56.880 0.220 18551 1454 1 5 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.957 3.343 18551 1455 1 5 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.205 0.255 18551 1456 1 5 . 1 1 32 32 PRO C C 32 176.000 176.000 176.332 -0.332 18551 1457 1 5 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.148 -1.148 18551 1458 1 5 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.656 0.544 18551 1459 1 5 . 1 1 33 33 VAL N N 33 122.000 122.000 112.677 9.323 18551 1460 1 5 . 1 1 33 33 VAL HA H 33 3.810 3.810 4.112 -0.302 18551 1461 1 5 . 1 1 33 33 VAL C C 33 176.700 176.700 175.278 1.422 18551 1462 1 5 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.393 2.407 18551 1463 1 5 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.328 0.372 18551 1464 1 5 . 1 1 34 34 CYS N N 34 117.100 117.100 116.895 0.205 18551 1465 1 5 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.663 0.507 18551 1466 1 5 . 1 1 34 34 CYS C C 34 176.800 176.800 174.468 2.332 18551 1467 1 5 . 1 1 34 34 CYS CA C 34 58.500 58.500 57.074 1.426 18551 1468 1 5 . 1 1 34 34 CYS CB C 34 32.700 32.700 30.177 2.523 18551 1469 1 5 . 1 1 35 35 GLY N N 35 112.500 112.500 112.405 0.095 18551 1470 1 5 . 1 1 35 35 GLY C C 35 173.200 173.200 173.493 -0.293 18551 1471 1 5 . 1 1 35 35 GLY CA C 35 46.400 46.400 45.911 0.489 18551 1472 1 5 . 1 1 36 36 GLU N N 36 122.500 122.500 123.849 -1.349 18551 1473 1 5 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.369 -0.379 18551 1474 1 5 . 1 1 36 36 GLU C C 36 173.800 173.800 173.979 -0.179 18551 1475 1 5 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.201 2.699 18551 1476 1 5 . 1 1 36 36 GLU CB C 36 30.500 30.500 32.587 -2.087 18551 1477 1 5 . 1 1 37 37 SER N N 37 116.300 116.300 120.112 -3.812 18551 1478 1 5 . 1 1 37 37 SER HA H 37 4.820 4.820 4.521 0.299 18551 1479 1 5 . 1 1 37 37 SER C C 37 173.300 173.300 173.519 -0.219 18551 1480 1 5 . 1 1 37 37 SER CA C 37 57.200 57.200 57.521 -0.321 18551 1481 1 5 . 1 1 37 37 SER CB C 37 65.300 65.300 63.301 1.999 18551 1482 1 5 . 1 1 38 38 PHE N N 38 120.000 120.000 123.062 -3.062 18551 1483 1 5 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.771 -0.121 18551 1484 1 5 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.616 -0.216 18551 1485 1 5 . 1 1 38 38 PHE CB C 38 44.000 44.000 42.342 1.658 18551 1486 1 5 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.546 0.044 18551 1487 1 5 . 1 1 39 39 ALA C C 39 176.700 176.700 177.746 -1.046 18551 1488 1 5 . 1 1 39 39 ALA CA C 39 52.700 52.700 52.912 -0.212 18551 1489 1 5 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.341 0.059 18551 1490 1 5 . 1 1 40 40 SER N N 40 107.500 107.500 115.796 -8.296 18551 1491 1 5 . 1 1 40 40 SER HA H 40 4.560 4.560 4.600 -0.040 18551 1492 1 5 . 1 1 40 40 SER C C 40 173.400 173.400 174.844 -1.444 18551 1493 1 5 . 1 1 40 40 SER CA C 40 56.100 56.100 57.618 -1.518 18551 1494 1 5 . 1 1 40 40 SER CB C 40 66.400 66.400 63.597 2.803 18551 1495 1 5 . 1 1 41 41 LYS N N 41 124.400 124.400 128.431 -4.031 18551 1496 1 5 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.763 -0.323 18551 1497 1 5 . 1 1 41 41 LYS C C 41 178.600 178.600 178.384 0.216 18551 1498 1 5 . 1 1 41 41 LYS CA C 41 58.200 58.200 59.394 -1.194 18551 1499 1 5 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.313 -0.213 18551 1500 1 5 . 1 1 42 42 GLY N N 42 105.900 105.900 105.817 0.083 18551 1501 1 5 . 1 1 42 42 GLY C C 42 176.700 176.700 175.921 0.779 18551 1502 1 5 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.842 0.058 18551 1503 1 5 . 1 1 43 43 ALA N N 43 123.500 123.500 123.127 0.373 18551 1504 1 5 . 1 1 43 43 ALA HA H 43 4.050 4.050 3.992 0.058 18551 1505 1 5 . 1 1 43 43 ALA C C 43 179.700 179.700 179.264 0.436 18551 1506 1 5 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.625 0.075 18551 1507 1 5 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.232 0.568 18551 1508 1 5 . 1 1 44 44 GLN N N 44 121.800 121.800 118.026 3.774 18551 1509 1 5 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.439 -0.839 18551 1510 1 5 . 1 1 44 44 GLN C C 44 177.500 177.500 178.107 -0.607 18551 1511 1 5 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.210 1.190 18551 1512 1 5 . 1 1 44 44 GLN CB C 44 27.600 27.600 27.882 -0.282 18551 1513 1 5 . 1 1 45 45 GLU N N 45 120.200 120.200 119.368 0.832 18551 1514 1 5 . 1 1 45 45 GLU HA H 45 3.770 3.770 3.953 -0.183 18551 1515 1 5 . 1 1 45 45 GLU C C 45 179.000 179.000 178.901 0.099 18551 1516 1 5 . 1 1 45 45 GLU CA C 45 59.900 59.900 59.194 0.706 18551 1517 1 5 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.186 0.214 18551 1518 1 5 . 1 1 46 46 ARG N N 46 119.900 119.900 117.490 2.410 18551 1519 1 5 . 1 1 46 46 ARG HA H 46 3.900 3.900 3.942 -0.042 18551 1520 1 5 . 1 1 46 46 ARG C C 46 177.800 177.800 178.242 -0.442 18551 1521 1 5 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.274 0.326 18551 1522 1 5 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.623 0.477 18551 1523 1 5 . 1 1 47 47 HIS N N 47 118.200 118.200 119.013 -0.813 18551 1524 1 5 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.362 -0.222 18551 1525 1 5 . 1 1 47 47 HIS C C 47 176.300 176.300 177.333 -1.033 18551 1526 1 5 . 1 1 47 47 HIS CA C 47 59.600 59.600 60.247 -0.647 18551 1527 1 5 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.430 -2.530 18551 1528 1 5 . 1 1 48 48 LEU N N 48 120.000 120.000 118.679 1.321 18551 1529 1 5 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.219 -0.409 18551 1530 1 5 . 1 1 48 48 LEU C C 48 178.500 178.500 179.016 -0.516 18551 1531 1 5 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.542 1.658 18551 1532 1 5 . 1 1 48 48 LEU CB C 48 42.700 42.700 42.201 0.499 18551 1533 1 5 . 1 1 49 49 ARG N N 49 115.400 115.400 116.606 -1.206 18551 1534 1 5 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.020 -0.120 18551 1535 1 5 . 1 1 49 49 ARG C C 49 177.600 177.600 177.168 0.432 18551 1536 1 5 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.667 0.033 18551 1537 1 5 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.194 0.306 18551 1538 1 5 . 1 1 50 50 LEU N N 50 117.200 117.200 117.465 -0.265 18551 1539 1 5 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.440 -0.240 18551 1540 1 5 . 1 1 50 50 LEU C C 50 179.000 179.000 178.646 0.354 18551 1541 1 5 . 1 1 50 50 LEU CA C 50 56.800 56.800 55.420 1.380 18551 1542 1 5 . 1 1 50 50 LEU CB C 50 42.700 42.700 43.463 -0.763 18551 1543 1 5 . 1 1 51 51 LEU N N 51 117.800 117.800 118.135 -0.335 18551 1544 1 5 . 1 1 51 51 LEU HA H 51 4.270 4.270 3.896 0.374 18551 1545 1 5 . 1 1 51 51 LEU C C 51 178.100 178.100 177.597 0.503 18551 1546 1 5 . 1 1 51 51 LEU CA C 51 55.000 55.000 57.019 -2.019 18551 1547 1 5 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.167 -0.967 18551 1548 1 5 . 1 1 52 52 HIS N N 52 115.300 115.300 114.304 0.996 18551 1549 1 5 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.765 0.595 18551 1550 1 5 . 1 1 52 52 HIS C C 52 175.000 175.000 174.090 0.910 18551 1551 1 5 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.994 -2.194 18551 1552 1 5 . 1 1 52 52 HIS CB C 52 28.900 28.900 29.685 -0.785 18551 1553 1 5 . 1 1 53 53 ALA N N 53 122.100 122.100 122.133 -0.033 18551 1554 1 5 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.419 -0.349 18551 1555 1 5 . 1 1 53 53 ALA C C 53 178.300 178.300 177.108 1.192 18551 1556 1 5 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.627 1.973 18551 1557 1 5 . 1 1 53 53 ALA CB C 53 18.600 18.600 19.019 -0.419 18551 1558 1 5 . 1 1 54 54 ALA N N 54 118.200 118.200 119.699 -1.499 18551 1559 1 5 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.037 0.253 18551 1560 1 5 . 1 1 54 54 ALA C C 54 177.700 177.700 179.229 -1.529 18551 1561 1 5 . 1 1 54 54 ALA CA C 54 52.800 52.800 54.497 -1.697 18551 1562 1 5 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.422 0.578 18551 1563 1 5 . 1 1 55 55 GLN N N 55 118.200 118.200 115.291 2.909 18551 1564 1 5 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.184 0.196 18551 1565 1 5 . 1 1 55 55 GLN C C 55 173.700 173.700 176.725 -3.025 18551 1566 1 5 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.871 -0.371 18551 1567 1 5 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.736 0.564 18551 1568 1 5 . 1 1 56 56 VAL N N 56 115.300 115.300 113.714 1.586 18551 1569 1 5 . 1 1 56 56 VAL HA H 56 4.410 4.410 3.913 0.497 18551 1570 1 5 . 1 1 56 56 VAL C C 56 174.500 174.500 175.037 -0.537 18551 1571 1 5 . 1 1 56 56 VAL CA C 56 60.900 60.900 60.795 0.105 18551 1572 1 5 . 1 1 56 56 VAL CB C 56 33.900 33.900 32.797 1.103 18551 1573 1 5 . 1 1 57 57 PHE N N 57 122.700 122.700 119.215 3.485 18551 1574 1 5 . 1 1 57 57 PHE HA H 57 4.830 4.830 5.109 -0.279 18551 1575 1 5 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.191 0.009 18551 1576 1 5 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.161 -0.161 18551 1577 1 5 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.528 0.192 18551 1578 1 5 . 1 1 58 58 PRO C C 58 175.700 175.700 176.282 -0.582 18551 1579 1 5 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.330 -0.230 18551 1580 1 5 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.155 1.145 18551 1581 1 5 . 1 1 59 59 CYS N N 59 125.200 125.200 126.879 -1.679 18551 1582 1 5 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.492 -0.072 18551 1583 1 5 . 1 1 59 59 CYS C C 59 176.300 176.300 176.535 -0.235 18551 1584 1 5 . 1 1 59 59 CYS CA C 59 60.800 60.800 58.819 1.981 18551 1585 1 5 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.706 1.794 18551 1586 1 5 . 1 1 60 60 LYS N N 60 126.400 126.400 128.682 -2.282 18551 1587 1 5 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.916 0.244 18551 1588 1 5 . 1 1 60 60 LYS C C 60 176.800 176.800 176.337 0.463 18551 1589 1 5 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.900 -1.800 18551 1590 1 5 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.697 0.703 18551 1591 1 5 . 1 1 61 61 TYR N N 61 121.900 121.900 116.009 5.891 18551 1592 1 5 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.574 -0.064 18551 1593 1 5 . 1 1 61 61 TYR C C 61 174.300 174.300 176.329 -2.029 18551 1594 1 5 . 1 1 61 61 TYR CA C 61 57.700 57.700 57.814 -0.114 18551 1595 1 5 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.574 -0.574 18551 1596 1 5 . 1 1 62 62 CYS N N 62 122.800 122.800 117.149 5.651 18551 1597 1 5 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.937 0.133 18551 1598 1 5 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.646 2.554 18551 1599 1 5 . 1 1 62 62 CYS CB C 62 29.600 29.600 28.945 0.655 18551 1600 1 5 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.250 0.320 18551 1601 1 5 . 1 1 63 63 PRO C C 63 176.500 176.500 176.640 -0.140 18551 1602 1 5 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.671 0.429 18551 1603 1 5 . 1 1 63 63 PRO CB C 63 31.900 31.900 31.773 0.127 18551 1604 1 5 . 1 1 64 64 ALA N N 64 125.400 125.400 123.755 1.645 18551 1605 1 5 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.090 -0.060 18551 1606 1 5 . 1 1 64 64 ALA C C 64 176.100 176.100 176.063 0.037 18551 1607 1 5 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.910 1.990 18551 1608 1 5 . 1 1 64 64 ALA CB C 64 20.200 20.200 18.304 1.896 18551 1609 1 5 . 1 1 65 65 THR N N 65 113.200 113.200 119.581 -6.381 18551 1610 1 5 . 1 1 65 65 THR HA H 65 4.440 4.440 4.427 0.013 18551 1611 1 5 . 1 1 65 65 THR C C 65 171.400 171.400 173.500 -2.100 18551 1612 1 5 . 1 1 65 65 THR CA C 65 61.400 61.400 61.399 0.001 18551 1613 1 5 . 1 1 65 65 THR CB C 65 71.600 71.600 70.398 1.202 18551 1614 1 5 . 1 1 66 66 PHE N N 66 120.900 120.900 123.955 -3.055 18551 1615 1 5 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.914 -0.494 18551 1616 1 5 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.239 0.961 18551 1617 1 5 . 1 1 66 66 PHE CB C 66 42.700 42.700 41.735 0.965 18551 1618 1 5 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.859 0.421 18551 1619 1 5 . 1 1 67 67 TYR C C 67 174.800 174.800 174.658 0.142 18551 1620 1 5 . 1 1 67 67 TYR CA C 67 57.800 57.800 57.480 0.320 18551 1621 1 5 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.727 -1.227 18551 1622 1 5 . 1 1 68 68 SER N N 68 112.800 112.800 114.542 -1.742 18551 1623 1 5 . 1 1 68 68 SER HA H 68 4.440 4.440 4.592 -0.152 18551 1624 1 5 . 1 1 68 68 SER C C 68 172.200 172.200 174.317 -2.117 18551 1625 1 5 . 1 1 68 68 SER CA C 68 57.000 57.000 56.313 0.687 18551 1626 1 5 . 1 1 68 68 SER CB C 68 66.400 66.400 64.910 1.490 18551 1627 1 5 . 1 1 69 69 SER N N 69 117.800 117.800 122.773 -4.973 18551 1628 1 5 . 1 1 69 69 SER HA H 69 3.630 3.630 3.678 -0.048 18551 1629 1 5 . 1 1 69 69 SER CA C 69 61.900 61.900 62.335 -0.435 18551 1630 1 5 . 1 1 69 69 SER CB C 69 60.900 60.900 61.092 -0.192 18551 1631 1 5 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.248 0.012 18551 1632 1 5 . 1 1 70 70 PRO C C 70 179.000 179.000 178.737 0.263 18551 1633 1 5 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.639 0.061 18551 1634 1 5 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.245 -0.245 18551 1635 1 5 . 1 1 71 71 GLY N N 71 105.000 105.000 105.866 -0.866 18551 1636 1 5 . 1 1 71 71 GLY C C 71 175.700 175.700 175.670 0.030 18551 1637 1 5 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.336 0.364 18551 1638 1 5 . 1 1 72 72 LEU N N 72 123.600 123.600 121.792 1.808 18551 1639 1 5 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.887 -0.397 18551 1640 1 5 . 1 1 72 72 LEU C C 72 177.900 177.900 178.891 -0.991 18551 1641 1 5 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.341 0.459 18551 1642 1 5 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.774 -1.474 18551 1643 1 5 . 1 1 73 73 THR N N 73 117.100 117.100 113.981 3.119 18551 1644 1 5 . 1 1 73 73 THR HA H 73 3.710 3.710 4.021 -0.311 18551 1645 1 5 . 1 1 73 73 THR C C 73 176.100 176.100 176.520 -0.420 18551 1646 1 5 . 1 1 73 73 THR CA C 73 67.300 67.300 66.049 1.251 18551 1647 1 5 . 1 1 73 73 THR CB C 73 68.700 68.700 68.319 0.381 18551 1648 1 5 . 1 1 74 74 ARG N N 74 120.200 120.200 121.196 -0.996 18551 1649 1 5 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.976 0.004 18551 1650 1 5 . 1 1 74 74 ARG C C 74 178.500 178.500 178.391 0.109 18551 1651 1 5 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.438 0.161 18551 1652 1 5 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.855 0.245 18551 1653 1 5 . 1 1 75 75 HIS N N 75 118.700 118.700 119.156 -0.456 18551 1654 1 5 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.494 -0.224 18551 1655 1 5 . 1 1 75 75 HIS C C 75 176.900 176.900 177.528 -0.628 18551 1656 1 5 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.970 -0.370 18551 1657 1 5 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.452 -1.552 18551 1658 1 5 . 1 1 76 76 ILE N N 76 121.600 121.600 119.906 1.694 18551 1659 1 5 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.923 -0.503 18551 1660 1 5 . 1 1 76 76 ILE C C 76 177.800 177.800 178.414 -0.614 18551 1661 1 5 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.203 1.097 18551 1662 1 5 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.994 0.006 18551 1663 1 5 . 1 1 77 77 ASN N N 77 115.900 115.900 116.632 -0.732 18551 1664 1 5 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.510 -0.240 18551 1665 1 5 . 1 1 77 77 ASN C C 77 176.400 176.400 176.459 -0.059 18551 1666 1 5 . 1 1 77 77 ASN CA C 77 55.800 55.800 56.016 -0.216 18551 1667 1 5 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.397 0.004 18551 1668 1 5 . 1 1 78 78 LYS N N 78 116.200 116.200 118.966 -2.766 18551 1669 1 5 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.227 -0.057 18551 1670 1 5 . 1 1 78 78 LYS C C 78 178.400 178.400 176.821 1.579 18551 1671 1 5 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.425 -0.325 18551 1672 1 5 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.727 0.273 18551 1673 1 5 . 1 1 79 79 CYS N N 79 113.900 113.900 117.952 -4.052 18551 1674 1 5 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.547 -0.457 18551 1675 1 5 . 1 1 79 79 CYS C C 79 174.200 174.200 173.463 0.737 18551 1676 1 5 . 1 1 79 79 CYS CA C 79 60.700 60.700 59.117 1.583 18551 1677 1 5 . 1 1 79 79 CYS CB C 79 28.000 28.000 27.906 0.094 18551 1678 1 5 . 1 1 80 80 HIS N N 80 117.000 117.000 120.474 -3.474 18551 1679 1 5 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.963 0.317 18551 1680 1 5 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.712 -2.012 18551 1681 1 5 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.799 -3.099 18551 1682 1 5 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.726 -0.406 18551 1683 1 5 . 1 1 81 81 PRO C C 81 178.100 178.100 176.782 1.318 18551 1684 1 5 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.212 1.488 18551 1685 1 5 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.161 -0.661 18551 1686 1 5 . 1 1 82 82 SER N N 82 114.100 114.100 116.281 -2.181 18551 1687 1 5 . 1 1 82 82 SER HA H 82 4.340 4.340 4.380 -0.040 18551 1688 1 5 . 1 1 82 82 SER C C 82 174.900 174.900 173.686 1.214 18551 1689 1 5 . 1 1 82 82 SER CA C 82 59.000 59.000 59.847 -0.847 18551 1690 1 5 . 1 1 82 82 SER CB C 82 63.300 63.300 61.972 1.328 18551 1691 1 5 . 1 1 83 83 GLU N N 83 120.600 120.600 123.171 -2.571 18551 1692 1 5 . 1 1 83 83 GLU HA H 83 4.230 4.230 3.936 0.294 18551 1693 1 5 . 1 1 83 83 GLU C C 83 176.300 176.300 177.132 -0.832 18551 1694 1 5 . 1 1 83 83 GLU CA C 83 56.100 56.100 56.815 -0.715 18551 1695 1 5 . 1 1 83 83 GLU CB C 83 29.400 29.400 31.255 -1.855 18551 1696 1 5 . 1 1 84 84 ASN N N 84 119.100 119.100 116.634 2.466 18551 1697 1 5 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.327 0.383 18551 1698 1 5 . 1 1 84 84 ASN C C 84 174.100 174.100 175.370 -1.270 18551 1699 1 5 . 1 1 84 84 ASN CA C 84 53.200 53.200 55.272 -2.072 18551 1700 1 5 . 1 1 84 84 ASN CB C 84 39.000 39.000 37.842 1.159 18551 1701 1 6 . 1 1 11 11 MET HA H 11 4.440 4.440 4.802 -0.362 18551 1702 1 6 . 1 1 11 11 MET C C 11 176.600 176.600 174.606 1.994 18551 1703 1 6 . 1 1 11 11 MET CA C 11 55.600 55.600 55.273 0.327 18551 1704 1 6 . 1 1 11 11 MET CB C 11 32.700 32.700 34.830 -2.130 18551 1705 1 6 . 1 1 12 12 GLY N N 12 110.000 110.000 113.693 -3.693 18551 1706 1 6 . 1 1 12 12 GLY C C 12 173.900 173.900 173.307 0.593 18551 1707 1 6 . 1 1 12 12 GLY CA C 12 45.300 45.300 45.380 -0.080 18551 1708 1 6 . 1 1 13 13 ASP N N 13 120.500 120.500 121.866 -1.366 18551 1709 1 6 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.597 0.043 18551 1710 1 6 . 1 1 13 13 ASP C C 13 176.900 176.900 177.470 -0.570 18551 1711 1 6 . 1 1 13 13 ASP CA C 13 54.500 54.500 53.948 0.552 18551 1712 1 6 . 1 1 13 13 ASP CB C 13 41.400 41.400 41.028 0.372 18551 1713 1 6 . 1 1 14 14 GLY N N 14 109.300 109.300 109.687 -0.387 18551 1714 1 6 . 1 1 14 14 GLY C C 14 174.500 174.500 175.335 -0.835 18551 1715 1 6 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.863 0.637 18551 1716 1 6 . 1 1 15 15 GLU N N 15 120.600 120.600 121.015 -0.415 18551 1717 1 6 . 1 1 15 15 GLU HA H 15 4.280 4.280 3.927 0.353 18551 1718 1 6 . 1 1 15 15 GLU C C 15 177.200 177.200 178.536 -1.336 18551 1719 1 6 . 1 1 15 15 GLU CA C 15 56.800 56.800 57.465 -0.665 18551 1720 1 6 . 1 1 15 15 GLU CB C 15 30.100 30.100 29.927 0.173 18551 1721 1 6 . 1 1 16 16 GLY N N 16 109.900 109.900 109.368 0.532 18551 1722 1 6 . 1 1 16 16 GLY C C 16 174.100 174.100 173.652 0.448 18551 1723 1 6 . 1 1 16 16 GLY CA C 16 45.500 45.500 45.553 -0.053 18551 1724 1 6 . 1 1 17 17 ALA N N 17 123.500 123.500 123.810 -0.310 18551 1725 1 6 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.684 -0.384 18551 1726 1 6 . 1 1 17 17 ALA C C 17 178.300 178.300 176.342 1.958 18551 1727 1 6 . 1 1 17 17 ALA CA C 17 52.800 52.800 51.958 0.842 18551 1728 1 6 . 1 1 17 17 ALA CB C 17 19.300 19.300 20.140 -0.840 18551 1729 1 6 . 1 1 18 18 GLY N N 18 108.000 108.000 107.110 0.890 18551 1730 1 6 . 1 1 18 18 GLY C C 18 174.400 174.400 173.807 0.593 18551 1731 1 6 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.396 1.004 18551 1732 1 6 . 1 1 19 19 VAL N N 19 119.100 119.100 118.373 0.727 18551 1733 1 6 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.464 -0.374 18551 1734 1 6 . 1 1 19 19 VAL C C 19 176.400 176.400 175.499 0.901 18551 1735 1 6 . 1 1 19 19 VAL CA C 19 62.500 62.500 62.312 0.188 18551 1736 1 6 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.214 0.286 18551 1737 1 6 . 1 1 20 20 LEU N N 20 125.100 125.100 125.057 0.043 18551 1738 1 6 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.585 -0.255 18551 1739 1 6 . 1 1 20 20 LEU C C 20 177.900 177.900 176.734 1.166 18551 1740 1 6 . 1 1 20 20 LEU CA C 20 55.400 55.400 55.069 0.332 18551 1741 1 6 . 1 1 20 20 LEU CB C 20 42.200 42.200 42.593 -0.392 18551 1742 1 6 . 1 1 21 21 GLY N N 21 109.300 109.300 107.961 1.339 18551 1743 1 6 . 1 1 21 21 GLY C C 21 174.200 174.200 172.935 1.265 18551 1744 1 6 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.800 0.600 18551 1745 1 6 . 1 1 22 22 LEU N N 22 121.600 121.600 123.174 -1.574 18551 1746 1 6 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.602 -0.232 18551 1747 1 6 . 1 1 22 22 LEU C C 22 177.600 177.600 176.762 0.838 18551 1748 1 6 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.224 0.976 18551 1749 1 6 . 1 1 22 22 LEU CB C 22 42.500 42.500 43.195 -0.695 18551 1750 1 6 . 1 1 23 23 SER N N 23 116.500 116.500 122.536 -6.036 18551 1751 1 6 . 1 1 23 23 SER HA H 23 4.440 4.440 4.453 -0.013 18551 1752 1 6 . 1 1 23 23 SER C C 23 174.300 174.300 174.552 -0.252 18551 1753 1 6 . 1 1 23 23 SER CA C 23 58.300 58.300 58.513 -0.213 18551 1754 1 6 . 1 1 23 23 SER CB C 23 63.800 63.800 62.032 1.768 18551 1755 1 6 . 1 1 24 24 ALA N N 24 126.000 126.000 127.795 -1.795 18551 1756 1 6 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.055 0.295 18551 1757 1 6 . 1 1 24 24 ALA C C 24 177.700 177.700 175.607 2.093 18551 1758 1 6 . 1 1 24 24 ALA CA C 24 52.700 52.700 52.748 -0.048 18551 1759 1 6 . 1 1 24 24 ALA CB C 24 19.400 19.400 18.654 0.746 18551 1760 1 6 . 1 1 25 25 SER N N 25 114.700 114.700 114.219 0.481 18551 1761 1 6 . 1 1 25 25 SER HA H 25 4.430 4.430 4.603 -0.173 18551 1762 1 6 . 1 1 25 25 SER C C 25 174.200 174.200 173.816 0.384 18551 1763 1 6 . 1 1 25 25 SER CA C 25 58.200 58.200 57.459 0.741 18551 1764 1 6 . 1 1 25 25 SER CB C 25 63.900 63.900 65.373 -1.473 18551 1765 1 6 . 1 1 26 26 ALA N N 26 125.900 125.900 127.666 -1.766 18551 1766 1 6 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.215 0.125 18551 1767 1 6 . 1 1 26 26 ALA C C 26 177.400 177.400 177.303 0.097 18551 1768 1 6 . 1 1 26 26 ALA CA C 26 52.500 52.500 52.281 0.220 18551 1769 1 6 . 1 1 26 26 ALA CB C 26 19.400 19.400 18.874 0.526 18551 1770 1 6 . 1 1 27 27 GLU N N 27 120.100 120.100 124.194 -4.094 18551 1771 1 6 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.180 0.060 18551 1772 1 6 . 1 1 27 27 GLU C C 27 175.400 175.400 175.715 -0.315 18551 1773 1 6 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.769 -0.569 18551 1774 1 6 . 1 1 27 27 GLU CB C 27 30.700 30.700 29.004 1.696 18551 1775 1 6 . 1 1 28 28 CYS N N 28 119.400 119.400 122.593 -3.193 18551 1776 1 6 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.641 -0.051 18551 1777 1 6 . 1 1 28 28 CYS C C 28 173.000 173.000 174.094 -1.094 18551 1778 1 6 . 1 1 28 28 CYS CA C 28 57.900 57.900 58.678 -0.778 18551 1779 1 6 . 1 1 28 28 CYS CB C 28 28.700 28.700 30.748 -2.048 18551 1780 1 6 . 1 1 29 29 HIS N N 29 124.500 124.500 118.845 5.655 18551 1781 1 6 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.841 -0.201 18551 1782 1 6 . 1 1 29 29 HIS C C 29 174.700 174.700 173.201 1.499 18551 1783 1 6 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.236 -0.936 18551 1784 1 6 . 1 1 29 29 HIS CB C 29 32.400 32.400 33.168 -0.768 18551 1785 1 6 . 1 1 30 30 LEU N N 30 123.900 123.900 121.858 2.042 18551 1786 1 6 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.365 -0.295 18551 1787 1 6 . 1 1 30 30 LEU C C 30 178.500 178.500 176.023 2.477 18551 1788 1 6 . 1 1 30 30 LEU CA C 30 53.800 53.800 52.804 0.996 18551 1789 1 6 . 1 1 30 30 LEU CB C 30 43.700 43.700 45.454 -1.754 18551 1790 1 6 . 1 1 31 31 CYS N N 31 126.700 126.700 124.990 1.710 18551 1791 1 6 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.582 0.228 18551 1792 1 6 . 1 1 31 31 CYS C C 31 53.800 53.800 175.216 -121.416 18551 1793 1 6 . 1 1 31 31 CYS CA C 31 57.100 57.100 57.592 -0.492 18551 1794 1 6 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.910 3.390 18551 1795 1 6 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.147 0.313 18551 1796 1 6 . 1 1 32 32 PRO C C 32 176.000 176.000 176.727 -0.727 18551 1797 1 6 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.524 -1.524 18551 1798 1 6 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.713 0.487 18551 1799 1 6 . 1 1 33 33 VAL N N 33 122.000 122.000 112.808 9.192 18551 1800 1 6 . 1 1 33 33 VAL HA H 33 3.810 3.810 4.009 -0.199 18551 1801 1 6 . 1 1 33 33 VAL C C 33 176.700 176.700 175.782 0.918 18551 1802 1 6 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.587 2.213 18551 1803 1 6 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.415 0.285 18551 1804 1 6 . 1 1 34 34 CYS N N 34 117.100 117.100 118.187 -1.087 18551 1805 1 6 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.852 0.318 18551 1806 1 6 . 1 1 34 34 CYS C C 34 176.800 176.800 175.144 1.656 18551 1807 1 6 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.816 1.684 18551 1808 1 6 . 1 1 34 34 CYS CB C 34 32.700 32.700 29.478 3.222 18551 1809 1 6 . 1 1 35 35 GLY N N 35 112.500 112.500 110.023 2.477 18551 1810 1 6 . 1 1 35 35 GLY C C 35 173.200 173.200 173.671 -0.471 18551 1811 1 6 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.435 -0.035 18551 1812 1 6 . 1 1 36 36 GLU N N 36 122.500 122.500 124.185 -1.685 18551 1813 1 6 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.276 -0.286 18551 1814 1 6 . 1 1 36 36 GLU C C 36 173.800 173.800 174.674 -0.874 18551 1815 1 6 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.426 2.474 18551 1816 1 6 . 1 1 36 36 GLU CB C 36 30.500 30.500 32.437 -1.937 18551 1817 1 6 . 1 1 37 37 SER N N 37 116.300 116.300 120.429 -4.129 18551 1818 1 6 . 1 1 37 37 SER HA H 37 4.820 4.820 4.279 0.540 18551 1819 1 6 . 1 1 37 37 SER C C 37 173.300 173.300 173.709 -0.409 18551 1820 1 6 . 1 1 37 37 SER CA C 37 57.200 57.200 59.186 -1.986 18551 1821 1 6 . 1 1 37 37 SER CB C 37 65.300 65.300 63.304 1.996 18551 1822 1 6 . 1 1 38 38 PHE N N 38 120.000 120.000 125.047 -5.047 18551 1823 1 6 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.804 -0.154 18551 1824 1 6 . 1 1 38 38 PHE CA C 38 57.400 57.400 56.725 0.675 18551 1825 1 6 . 1 1 38 38 PHE CB C 38 44.000 44.000 41.664 2.336 18551 1826 1 6 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.578 0.012 18551 1827 1 6 . 1 1 39 39 ALA C C 39 176.700 176.700 177.982 -1.282 18551 1828 1 6 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.556 -0.856 18551 1829 1 6 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.821 -0.421 18551 1830 1 6 . 1 1 40 40 SER N N 40 107.500 107.500 114.727 -7.227 18551 1831 1 6 . 1 1 40 40 SER HA H 40 4.560 4.560 4.544 0.016 18551 1832 1 6 . 1 1 40 40 SER C C 40 173.400 173.400 175.649 -2.249 18551 1833 1 6 . 1 1 40 40 SER CA C 40 56.100 56.100 57.379 -1.279 18551 1834 1 6 . 1 1 40 40 SER CB C 40 66.400 66.400 63.678 2.722 18551 1835 1 6 . 1 1 41 41 LYS N N 41 124.400 124.400 128.611 -4.211 18551 1836 1 6 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.869 -0.429 18551 1837 1 6 . 1 1 41 41 LYS C C 41 178.600 178.600 177.751 0.849 18551 1838 1 6 . 1 1 41 41 LYS CA C 41 58.200 58.200 57.912 0.288 18551 1839 1 6 . 1 1 41 41 LYS CB C 41 32.100 32.100 31.797 0.303 18551 1840 1 6 . 1 1 42 42 GLY N N 42 105.900 105.900 106.830 -0.930 18551 1841 1 6 . 1 1 42 42 GLY C C 42 176.700 176.700 175.384 1.316 18551 1842 1 6 . 1 1 42 42 GLY CA C 42 46.900 46.900 47.046 -0.146 18551 1843 1 6 . 1 1 43 43 ALA N N 43 123.500 123.500 122.684 0.816 18551 1844 1 6 . 1 1 43 43 ALA HA H 43 4.050 4.050 4.000 0.050 18551 1845 1 6 . 1 1 43 43 ALA C C 43 179.700 179.700 178.527 1.173 18551 1846 1 6 . 1 1 43 43 ALA CA C 43 54.700 54.700 53.608 1.092 18551 1847 1 6 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.023 0.777 18551 1848 1 6 . 1 1 44 44 GLN N N 44 121.800 121.800 118.503 3.297 18551 1849 1 6 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.666 -1.066 18551 1850 1 6 . 1 1 44 44 GLN C C 44 177.500 177.500 177.828 -0.328 18551 1851 1 6 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.482 0.918 18551 1852 1 6 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.780 -1.180 18551 1853 1 6 . 1 1 45 45 GLU N N 45 120.200 120.200 118.345 1.855 18551 1854 1 6 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.140 -0.370 18551 1855 1 6 . 1 1 45 45 GLU C C 45 179.000 179.000 178.610 0.390 18551 1856 1 6 . 1 1 45 45 GLU CA C 45 59.900 59.900 57.944 1.956 18551 1857 1 6 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.137 0.263 18551 1858 1 6 . 1 1 46 46 ARG N N 46 119.900 119.900 118.906 0.994 18551 1859 1 6 . 1 1 46 46 ARG HA H 46 3.900 3.900 3.970 -0.070 18551 1860 1 6 . 1 1 46 46 ARG C C 46 177.800 177.800 178.249 -0.449 18551 1861 1 6 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.356 0.244 18551 1862 1 6 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.347 0.753 18551 1863 1 6 . 1 1 47 47 HIS N N 47 118.200 118.200 119.214 -1.014 18551 1864 1 6 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.415 -0.275 18551 1865 1 6 . 1 1 47 47 HIS C C 47 176.300 176.300 177.435 -1.135 18551 1866 1 6 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.358 0.242 18551 1867 1 6 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.438 -2.538 18551 1868 1 6 . 1 1 48 48 LEU N N 48 120.000 120.000 118.555 1.445 18551 1869 1 6 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.318 -0.508 18551 1870 1 6 . 1 1 48 48 LEU C C 48 178.500 178.500 178.883 -0.383 18551 1871 1 6 . 1 1 48 48 LEU CA C 48 59.200 59.200 58.038 1.162 18551 1872 1 6 . 1 1 48 48 LEU CB C 48 42.700 42.700 41.974 0.727 18551 1873 1 6 . 1 1 49 49 ARG N N 49 115.400 115.400 116.332 -0.932 18551 1874 1 6 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.248 -0.348 18551 1875 1 6 . 1 1 49 49 ARG C C 49 177.600 177.600 177.572 0.028 18551 1876 1 6 . 1 1 49 49 ARG CA C 49 58.700 58.700 57.863 0.837 18551 1877 1 6 . 1 1 49 49 ARG CB C 49 30.500 30.500 29.728 0.772 18551 1878 1 6 . 1 1 50 50 LEU N N 50 117.200 117.200 119.025 -1.825 18551 1879 1 6 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.243 -0.043 18551 1880 1 6 . 1 1 50 50 LEU C C 50 179.000 179.000 178.413 0.587 18551 1881 1 6 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.595 0.205 18551 1882 1 6 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.352 0.347 18551 1883 1 6 . 1 1 51 51 LEU N N 51 117.800 117.800 117.393 0.407 18551 1884 1 6 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.156 0.114 18551 1885 1 6 . 1 1 51 51 LEU C C 51 178.100 178.100 179.160 -1.060 18551 1886 1 6 . 1 1 51 51 LEU CA C 51 55.000 55.000 56.436 -1.436 18551 1887 1 6 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.113 -0.913 18551 1888 1 6 . 1 1 52 52 HIS N N 52 115.300 115.300 118.215 -2.915 18551 1889 1 6 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.531 0.829 18551 1890 1 6 . 1 1 52 52 HIS C C 52 175.000 175.000 175.128 -0.128 18551 1891 1 6 . 1 1 52 52 HIS CA C 52 52.800 52.800 55.081 -2.281 18551 1892 1 6 . 1 1 52 52 HIS CB C 52 28.900 28.900 28.457 0.443 18551 1893 1 6 . 1 1 53 53 ALA N N 53 122.100 122.100 122.878 -0.778 18551 1894 1 6 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.482 -0.412 18551 1895 1 6 . 1 1 53 53 ALA C C 53 178.300 178.300 178.549 -0.249 18551 1896 1 6 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.361 0.238 18551 1897 1 6 . 1 1 53 53 ALA CB C 53 18.600 18.600 18.858 -0.258 18551 1898 1 6 . 1 1 54 54 ALA N N 54 118.200 118.200 118.955 -0.755 18551 1899 1 6 . 1 1 54 54 ALA HA H 54 4.290 4.290 3.976 0.314 18551 1900 1 6 . 1 1 54 54 ALA C C 54 177.700 177.700 178.576 -0.876 18551 1901 1 6 . 1 1 54 54 ALA CA C 54 52.800 52.800 53.954 -1.154 18551 1902 1 6 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.421 0.579 18551 1903 1 6 . 1 1 55 55 GLN N N 55 118.200 118.200 115.212 2.988 18551 1904 1 6 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.284 0.096 18551 1905 1 6 . 1 1 55 55 GLN C C 55 173.700 173.700 175.606 -1.906 18551 1906 1 6 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.647 -0.147 18551 1907 1 6 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.239 1.061 18551 1908 1 6 . 1 1 56 56 VAL N N 56 115.300 115.300 112.302 2.998 18551 1909 1 6 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.457 -0.047 18551 1910 1 6 . 1 1 56 56 VAL C C 56 174.500 174.500 173.911 0.589 18551 1911 1 6 . 1 1 56 56 VAL CA C 56 60.900 60.900 59.655 1.245 18551 1912 1 6 . 1 1 56 56 VAL CB C 56 33.900 33.900 34.416 -0.515 18551 1913 1 6 . 1 1 57 57 PHE N N 57 122.700 122.700 118.866 3.834 18551 1914 1 6 . 1 1 57 57 PHE HA H 57 4.830 4.830 5.077 -0.247 18551 1915 1 6 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.210 -0.010 18551 1916 1 6 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.092 -0.092 18551 1917 1 6 . 1 1 58 58 PRO HA H 58 4.720 4.720 5.005 -0.285 18551 1918 1 6 . 1 1 58 58 PRO C C 58 175.700 175.700 176.351 -0.651 18551 1919 1 6 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.204 -0.104 18551 1920 1 6 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.590 0.710 18551 1921 1 6 . 1 1 59 59 CYS N N 59 125.200 125.200 126.158 -0.958 18551 1922 1 6 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.452 -0.032 18551 1923 1 6 . 1 1 59 59 CYS C C 59 176.300 176.300 176.443 -0.143 18551 1924 1 6 . 1 1 59 59 CYS CA C 59 60.800 60.800 58.842 1.958 18551 1925 1 6 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.549 1.951 18551 1926 1 6 . 1 1 60 60 LYS N N 60 126.400 126.400 128.671 -2.271 18551 1927 1 6 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.866 0.294 18551 1928 1 6 . 1 1 60 60 LYS C C 60 176.800 176.800 176.795 0.005 18551 1929 1 6 . 1 1 60 60 LYS CA C 60 57.100 57.100 59.097 -1.997 18551 1930 1 6 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.915 0.485 18551 1931 1 6 . 1 1 61 61 TYR N N 61 121.900 121.900 114.621 7.279 18551 1932 1 6 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.308 0.202 18551 1933 1 6 . 1 1 61 61 TYR C C 61 174.300 174.300 175.713 -1.413 18551 1934 1 6 . 1 1 61 61 TYR CA C 61 57.700 57.700 57.905 -0.205 18551 1935 1 6 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.097 -0.097 18551 1936 1 6 . 1 1 62 62 CYS N N 62 122.800 122.800 115.892 6.908 18551 1937 1 6 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.894 0.176 18551 1938 1 6 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.174 3.026 18551 1939 1 6 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.480 0.120 18551 1940 1 6 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.299 0.271 18551 1941 1 6 . 1 1 63 63 PRO C C 63 176.500 176.500 175.502 0.998 18551 1942 1 6 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.059 1.041 18551 1943 1 6 . 1 1 63 63 PRO CB C 63 31.900 31.900 29.767 2.133 18551 1944 1 6 . 1 1 64 64 ALA N N 64 125.400 125.400 128.706 -3.306 18551 1945 1 6 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.521 -0.491 18551 1946 1 6 . 1 1 64 64 ALA C C 64 176.100 176.100 175.167 0.933 18551 1947 1 6 . 1 1 64 64 ALA CA C 64 53.900 53.900 52.121 1.779 18551 1948 1 6 . 1 1 64 64 ALA CB C 64 20.200 20.200 20.657 -0.457 18551 1949 1 6 . 1 1 65 65 THR N N 65 113.200 113.200 113.940 -0.740 18551 1950 1 6 . 1 1 65 65 THR HA H 65 4.440 4.440 4.314 0.126 18551 1951 1 6 . 1 1 65 65 THR C C 65 171.400 171.400 173.270 -1.870 18551 1952 1 6 . 1 1 65 65 THR CA C 65 61.400 61.400 61.225 0.175 18551 1953 1 6 . 1 1 65 65 THR CB C 65 71.600 71.600 69.203 2.397 18551 1954 1 6 . 1 1 66 66 PHE N N 66 120.900 120.900 123.112 -2.212 18551 1955 1 6 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.654 -0.234 18551 1956 1 6 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.559 0.641 18551 1957 1 6 . 1 1 66 66 PHE CB C 66 42.700 42.700 42.781 -0.080 18551 1958 1 6 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.904 0.376 18551 1959 1 6 . 1 1 67 67 TYR C C 67 174.800 174.800 175.630 -0.830 18551 1960 1 6 . 1 1 67 67 TYR CA C 67 57.800 57.800 58.029 -0.229 18551 1961 1 6 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.701 -0.201 18551 1962 1 6 . 1 1 68 68 SER N N 68 112.800 112.800 114.423 -1.623 18551 1963 1 6 . 1 1 68 68 SER HA H 68 4.440 4.440 4.697 -0.257 18551 1964 1 6 . 1 1 68 68 SER C C 68 172.200 172.200 174.525 -2.325 18551 1965 1 6 . 1 1 68 68 SER CA C 68 57.000 57.000 56.852 0.148 18551 1966 1 6 . 1 1 68 68 SER CB C 68 66.400 66.400 66.182 0.218 18551 1967 1 6 . 1 1 69 69 SER N N 69 117.800 117.800 120.364 -2.564 18551 1968 1 6 . 1 1 69 69 SER HA H 69 3.630 3.630 3.948 -0.318 18551 1969 1 6 . 1 1 69 69 SER CA C 69 61.900 61.900 61.472 0.428 18551 1970 1 6 . 1 1 69 69 SER CB C 69 60.900 60.900 60.756 0.144 18551 1971 1 6 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.280 -0.020 18551 1972 1 6 . 1 1 70 70 PRO C C 70 179.000 179.000 179.032 -0.032 18551 1973 1 6 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.094 0.606 18551 1974 1 6 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.067 -0.067 18551 1975 1 6 . 1 1 71 71 GLY N N 71 105.000 105.000 106.184 -1.184 18551 1976 1 6 . 1 1 71 71 GLY C C 71 175.700 175.700 176.074 -0.374 18551 1977 1 6 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.393 0.307 18551 1978 1 6 . 1 1 72 72 LEU N N 72 123.600 123.600 122.046 1.554 18551 1979 1 6 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.800 -0.310 18551 1980 1 6 . 1 1 72 72 LEU C C 72 177.900 177.900 178.683 -0.783 18551 1981 1 6 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.152 0.648 18551 1982 1 6 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.733 -1.433 18551 1983 1 6 . 1 1 73 73 THR N N 73 117.100 117.100 114.468 2.632 18551 1984 1 6 . 1 1 73 73 THR HA H 73 3.710 3.710 3.991 -0.281 18551 1985 1 6 . 1 1 73 73 THR C C 73 176.100 176.100 176.476 -0.376 18551 1986 1 6 . 1 1 73 73 THR CA C 73 67.300 67.300 66.014 1.286 18551 1987 1 6 . 1 1 73 73 THR CB C 73 68.700 68.700 68.192 0.508 18551 1988 1 6 . 1 1 74 74 ARG N N 74 120.200 120.200 121.677 -1.477 18551 1989 1 6 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.993 -0.013 18551 1990 1 6 . 1 1 74 74 ARG C C 74 178.500 178.500 178.352 0.148 18551 1991 1 6 . 1 1 74 74 ARG CA C 74 59.600 59.600 58.986 0.614 18551 1992 1 6 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.328 0.772 18551 1993 1 6 . 1 1 75 75 HIS N N 75 118.700 118.700 118.052 0.648 18551 1994 1 6 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.454 -0.184 18551 1995 1 6 . 1 1 75 75 HIS C C 75 176.900 176.900 178.003 -1.103 18551 1996 1 6 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.115 0.485 18551 1997 1 6 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.123 -1.224 18551 1998 1 6 . 1 1 76 76 ILE N N 76 121.600 121.600 121.578 0.022 18551 1999 1 6 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.859 -0.439 18551 2000 1 6 . 1 1 76 76 ILE C C 76 177.800 177.800 178.072 -0.272 18551 2001 1 6 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.382 0.918 18551 2002 1 6 . 1 1 76 76 ILE CB C 76 38.000 38.000 38.069 -0.069 18551 2003 1 6 . 1 1 77 77 ASN N N 77 115.900 115.900 116.627 -0.727 18551 2004 1 6 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.449 -0.179 18551 2005 1 6 . 1 1 77 77 ASN C C 77 176.400 176.400 176.359 0.041 18551 2006 1 6 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.448 0.352 18551 2007 1 6 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.545 -0.145 18551 2008 1 6 . 1 1 78 78 LYS N N 78 116.200 116.200 119.401 -3.201 18551 2009 1 6 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.227 -0.057 18551 2010 1 6 . 1 1 78 78 LYS C C 78 178.400 178.400 176.868 1.532 18551 2011 1 6 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.728 -0.628 18551 2012 1 6 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.716 0.284 18551 2013 1 6 . 1 1 79 79 CYS N N 79 113.900 113.900 115.528 -1.628 18551 2014 1 6 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.460 -0.370 18551 2015 1 6 . 1 1 79 79 CYS C C 79 174.200 174.200 174.235 -0.035 18551 2016 1 6 . 1 1 79 79 CYS CA C 79 60.700 60.700 59.014 1.685 18551 2017 1 6 . 1 1 79 79 CYS CB C 79 28.000 28.000 29.652 -1.652 18551 2018 1 6 . 1 1 80 80 HIS N N 80 117.000 117.000 118.847 -1.847 18551 2019 1 6 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.760 0.520 18551 2020 1 6 . 1 1 80 80 HIS CA C 80 51.700 51.700 54.428 -2.728 18551 2021 1 6 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.166 -2.466 18551 2022 1 6 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.827 -0.507 18551 2023 1 6 . 1 1 81 81 PRO C C 81 178.100 178.100 176.642 1.458 18551 2024 1 6 . 1 1 81 81 PRO CA C 81 64.700 64.700 61.972 2.728 18551 2025 1 6 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.962 -1.462 18551 2026 1 6 . 1 1 82 82 SER N N 82 114.100 114.100 111.007 3.093 18551 2027 1 6 . 1 1 82 82 SER HA H 82 4.340 4.340 4.202 0.138 18551 2028 1 6 . 1 1 82 82 SER C C 82 174.900 174.900 173.961 0.939 18551 2029 1 6 . 1 1 82 82 SER CA C 82 59.000 59.000 59.203 -0.203 18551 2030 1 6 . 1 1 82 82 SER CB C 82 63.300 63.300 62.563 0.737 18551 2031 1 6 . 1 1 83 83 GLU N N 83 120.600 120.600 119.366 1.234 18551 2032 1 6 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.284 -0.054 18551 2033 1 6 . 1 1 83 83 GLU C C 83 176.300 176.300 176.247 0.053 18551 2034 1 6 . 1 1 83 83 GLU CA C 83 56.100 56.100 56.317 -0.217 18551 2035 1 6 . 1 1 83 83 GLU CB C 83 29.400 29.400 27.316 2.084 18551 2036 1 6 . 1 1 84 84 ASN N N 84 119.100 119.100 118.138 0.962 18551 2037 1 6 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.578 0.132 18551 2038 1 6 . 1 1 84 84 ASN C C 84 174.100 174.100 174.300 -0.200 18551 2039 1 6 . 1 1 84 84 ASN CA C 84 53.200 53.200 54.040 -0.840 18551 2040 1 6 . 1 1 84 84 ASN CB C 84 39.000 39.000 38.853 0.147 18551 2041 1 7 . 1 1 11 11 MET HA H 11 4.440 4.440 4.137 0.303 18551 2042 1 7 . 1 1 11 11 MET C C 11 176.600 176.600 175.572 1.028 18551 2043 1 7 . 1 1 11 11 MET CA C 11 55.600 55.600 55.865 -0.265 18551 2044 1 7 . 1 1 11 11 MET CB C 11 32.700 32.700 31.779 0.921 18551 2045 1 7 . 1 1 12 12 GLY N N 12 110.000 110.000 113.006 -3.006 18551 2046 1 7 . 1 1 12 12 GLY C C 12 173.900 173.900 173.017 0.883 18551 2047 1 7 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.855 0.445 18551 2048 1 7 . 1 1 13 13 ASP N N 13 120.500 120.500 120.027 0.473 18551 2049 1 7 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.880 -0.240 18551 2050 1 7 . 1 1 13 13 ASP C C 13 176.900 176.900 176.182 0.718 18551 2051 1 7 . 1 1 13 13 ASP CA C 13 54.500 54.500 53.387 1.113 18551 2052 1 7 . 1 1 13 13 ASP CB C 13 41.400 41.400 41.603 -0.203 18551 2053 1 7 . 1 1 14 14 GLY N N 14 109.300 109.300 112.499 -3.199 18551 2054 1 7 . 1 1 14 14 GLY C C 14 174.500 174.500 173.505 0.995 18551 2055 1 7 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.749 0.751 18551 2056 1 7 . 1 1 15 15 GLU N N 15 120.600 120.600 120.678 -0.078 18551 2057 1 7 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.476 -0.196 18551 2058 1 7 . 1 1 15 15 GLU C C 15 177.200 177.200 176.360 0.840 18551 2059 1 7 . 1 1 15 15 GLU CA C 15 56.800 56.800 56.496 0.304 18551 2060 1 7 . 1 1 15 15 GLU CB C 15 30.100 30.100 29.997 0.103 18551 2061 1 7 . 1 1 16 16 GLY N N 16 109.900 109.900 111.638 -1.738 18551 2062 1 7 . 1 1 16 16 GLY C C 16 174.100 174.100 173.135 0.965 18551 2063 1 7 . 1 1 16 16 GLY CA C 16 45.500 45.500 44.948 0.552 18551 2064 1 7 . 1 1 17 17 ALA N N 17 123.500 123.500 124.677 -1.177 18551 2065 1 7 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.497 -0.197 18551 2066 1 7 . 1 1 17 17 ALA C C 17 178.300 178.300 177.760 0.540 18551 2067 1 7 . 1 1 17 17 ALA CA C 17 52.800 52.800 51.874 0.926 18551 2068 1 7 . 1 1 17 17 ALA CB C 17 19.300 19.300 19.941 -0.641 18551 2069 1 7 . 1 1 18 18 GLY N N 18 108.000 108.000 112.340 -4.340 18551 2070 1 7 . 1 1 18 18 GLY C C 18 174.400 174.400 173.998 0.402 18551 2071 1 7 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.126 0.274 18551 2072 1 7 . 1 1 19 19 VAL N N 19 119.100 119.100 118.320 0.780 18551 2073 1 7 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.687 -0.597 18551 2074 1 7 . 1 1 19 19 VAL C C 19 176.400 176.400 175.139 1.261 18551 2075 1 7 . 1 1 19 19 VAL CA C 19 62.500 62.500 60.706 1.794 18551 2076 1 7 . 1 1 19 19 VAL CB C 19 32.500 32.500 34.143 -1.643 18551 2077 1 7 . 1 1 20 20 LEU N N 20 125.100 125.100 121.810 3.290 18551 2078 1 7 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.960 -0.630 18551 2079 1 7 . 1 1 20 20 LEU C C 20 177.900 177.900 176.019 1.881 18551 2080 1 7 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.498 0.902 18551 2081 1 7 . 1 1 20 20 LEU CB C 20 42.200 42.200 43.280 -1.080 18551 2082 1 7 . 1 1 21 21 GLY N N 21 109.300 109.300 109.448 -0.148 18551 2083 1 7 . 1 1 21 21 GLY C C 21 174.200 174.200 173.490 0.710 18551 2084 1 7 . 1 1 21 21 GLY CA C 21 45.400 45.400 45.256 0.144 18551 2085 1 7 . 1 1 22 22 LEU N N 22 121.600 121.600 121.273 0.327 18551 2086 1 7 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.731 -0.361 18551 2087 1 7 . 1 1 22 22 LEU C C 22 177.600 177.600 177.091 0.509 18551 2088 1 7 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.208 0.992 18551 2089 1 7 . 1 1 22 22 LEU CB C 22 42.500 42.500 43.762 -1.262 18551 2090 1 7 . 1 1 23 23 SER N N 23 116.500 116.500 117.481 -0.981 18551 2091 1 7 . 1 1 23 23 SER HA H 23 4.440 4.440 4.358 0.082 18551 2092 1 7 . 1 1 23 23 SER C C 23 174.300 174.300 173.902 0.398 18551 2093 1 7 . 1 1 23 23 SER CA C 23 58.300 58.300 59.620 -1.320 18551 2094 1 7 . 1 1 23 23 SER CB C 23 63.800 63.800 63.380 0.420 18551 2095 1 7 . 1 1 24 24 ALA N N 24 126.000 126.000 121.150 4.850 18551 2096 1 7 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.095 0.255 18551 2097 1 7 . 1 1 24 24 ALA C C 24 177.700 177.700 176.427 1.273 18551 2098 1 7 . 1 1 24 24 ALA CA C 24 52.700 52.700 52.445 0.255 18551 2099 1 7 . 1 1 24 24 ALA CB C 24 19.400 19.400 18.519 0.881 18551 2100 1 7 . 1 1 25 25 SER N N 25 114.700 114.700 115.804 -1.104 18551 2101 1 7 . 1 1 25 25 SER HA H 25 4.430 4.430 4.610 -0.180 18551 2102 1 7 . 1 1 25 25 SER C C 25 174.200 174.200 173.926 0.274 18551 2103 1 7 . 1 1 25 25 SER CA C 25 58.200 58.200 57.563 0.637 18551 2104 1 7 . 1 1 25 25 SER CB C 25 63.900 63.900 63.131 0.769 18551 2105 1 7 . 1 1 26 26 ALA N N 26 125.900 125.900 127.974 -2.074 18551 2106 1 7 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.350 -0.010 18551 2107 1 7 . 1 1 26 26 ALA C C 26 177.400 177.400 178.536 -1.136 18551 2108 1 7 . 1 1 26 26 ALA CA C 26 52.500 52.500 51.775 0.725 18551 2109 1 7 . 1 1 26 26 ALA CB C 26 19.400 19.400 20.007 -0.607 18551 2110 1 7 . 1 1 27 27 GLU N N 27 120.100 120.100 116.357 3.743 18551 2111 1 7 . 1 1 27 27 GLU HA H 27 4.240 4.240 3.876 0.364 18551 2112 1 7 . 1 1 27 27 GLU C C 27 175.400 175.400 176.897 -1.497 18551 2113 1 7 . 1 1 27 27 GLU CA C 27 56.200 56.200 58.569 -2.369 18551 2114 1 7 . 1 1 27 27 GLU CB C 27 30.700 30.700 28.298 2.402 18551 2115 1 7 . 1 1 28 28 CYS N N 28 119.400 119.400 121.926 -2.526 18551 2116 1 7 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.117 0.473 18551 2117 1 7 . 1 1 28 28 CYS C C 28 173.000 173.000 174.955 -1.955 18551 2118 1 7 . 1 1 28 28 CYS CA C 28 57.900 57.900 60.183 -2.283 18551 2119 1 7 . 1 1 28 28 CYS CB C 28 28.700 28.700 28.903 -0.203 18551 2120 1 7 . 1 1 29 29 HIS N N 29 124.500 124.500 116.461 8.039 18551 2121 1 7 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.813 -0.173 18551 2122 1 7 . 1 1 29 29 HIS C C 29 174.700 174.700 173.542 1.158 18551 2123 1 7 . 1 1 29 29 HIS CA C 29 55.300 55.300 55.760 -0.460 18551 2124 1 7 . 1 1 29 29 HIS CB C 29 32.400 32.400 33.275 -0.875 18551 2125 1 7 . 1 1 30 30 LEU N N 30 123.900 123.900 121.331 2.569 18551 2126 1 7 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.385 -0.315 18551 2127 1 7 . 1 1 30 30 LEU C C 30 178.500 178.500 176.068 2.432 18551 2128 1 7 . 1 1 30 30 LEU CA C 30 53.800 53.800 52.700 1.100 18551 2129 1 7 . 1 1 30 30 LEU CB C 30 43.700 43.700 45.841 -2.141 18551 2130 1 7 . 1 1 31 31 CYS N N 31 126.700 126.700 124.620 2.080 18551 2131 1 7 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.666 0.144 18551 2132 1 7 . 1 1 31 31 CYS C C 31 53.800 53.800 175.208 -121.408 18551 2133 1 7 . 1 1 31 31 CYS CA C 31 57.100 57.100 57.500 -0.400 18551 2134 1 7 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.926 3.374 18551 2135 1 7 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.205 0.255 18551 2136 1 7 . 1 1 32 32 PRO C C 32 176.000 176.000 176.580 -0.580 18551 2137 1 7 . 1 1 32 32 PRO CA C 32 64.000 64.000 64.954 -0.954 18551 2138 1 7 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.619 0.581 18551 2139 1 7 . 1 1 33 33 VAL N N 33 122.000 122.000 112.446 9.554 18551 2140 1 7 . 1 1 33 33 VAL HA H 33 3.810 3.810 3.927 -0.117 18551 2141 1 7 . 1 1 33 33 VAL C C 33 176.700 176.700 175.973 0.727 18551 2142 1 7 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.770 2.030 18551 2143 1 7 . 1 1 33 33 VAL CB C 33 32.700 32.700 31.793 0.907 18551 2144 1 7 . 1 1 34 34 CYS N N 34 117.100 117.100 118.153 -1.053 18551 2145 1 7 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.771 0.399 18551 2146 1 7 . 1 1 34 34 CYS C C 34 176.800 176.800 175.159 1.641 18551 2147 1 7 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.988 1.512 18551 2148 1 7 . 1 1 34 34 CYS CB C 34 32.700 32.700 28.829 3.871 18551 2149 1 7 . 1 1 35 35 GLY N N 35 112.500 112.500 112.300 0.200 18551 2150 1 7 . 1 1 35 35 GLY C C 35 173.200 173.200 173.765 -0.565 18551 2151 1 7 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.642 -0.242 18551 2152 1 7 . 1 1 36 36 GLU N N 36 122.500 122.500 123.162 -0.662 18551 2153 1 7 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.218 -0.228 18551 2154 1 7 . 1 1 36 36 GLU C C 36 173.800 173.800 174.664 -0.864 18551 2155 1 7 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.243 2.657 18551 2156 1 7 . 1 1 36 36 GLU CB C 36 30.500 30.500 32.352 -1.852 18551 2157 1 7 . 1 1 37 37 SER N N 37 116.300 116.300 122.901 -6.601 18551 2158 1 7 . 1 1 37 37 SER HA H 37 4.820 4.820 4.422 0.398 18551 2159 1 7 . 1 1 37 37 SER C C 37 173.300 173.300 173.702 -0.402 18551 2160 1 7 . 1 1 37 37 SER CA C 37 57.200 57.200 59.818 -2.618 18551 2161 1 7 . 1 1 37 37 SER CB C 37 65.300 65.300 63.260 2.040 18551 2162 1 7 . 1 1 38 38 PHE N N 38 120.000 120.000 124.508 -4.508 18551 2163 1 7 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.792 -0.142 18551 2164 1 7 . 1 1 38 38 PHE CA C 38 57.400 57.400 56.952 0.448 18551 2165 1 7 . 1 1 38 38 PHE CB C 38 44.000 44.000 42.662 1.338 18551 2166 1 7 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.504 0.086 18551 2167 1 7 . 1 1 39 39 ALA C C 39 176.700 176.700 177.769 -1.069 18551 2168 1 7 . 1 1 39 39 ALA CA C 39 52.700 52.700 52.842 -0.142 18551 2169 1 7 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.837 -0.437 18551 2170 1 7 . 1 1 40 40 SER N N 40 107.500 107.500 114.283 -6.783 18551 2171 1 7 . 1 1 40 40 SER HA H 40 4.560 4.560 4.292 0.268 18551 2172 1 7 . 1 1 40 40 SER C C 40 173.400 173.400 175.812 -2.412 18551 2173 1 7 . 1 1 40 40 SER CA C 40 56.100 56.100 57.928 -1.828 18551 2174 1 7 . 1 1 40 40 SER CB C 40 66.400 66.400 63.619 2.781 18551 2175 1 7 . 1 1 41 41 LYS N N 41 124.400 124.400 128.109 -3.709 18551 2176 1 7 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.722 -0.282 18551 2177 1 7 . 1 1 41 41 LYS C C 41 178.600 178.600 177.845 0.755 18551 2178 1 7 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.021 0.179 18551 2179 1 7 . 1 1 41 41 LYS CB C 41 32.100 32.100 31.860 0.240 18551 2180 1 7 . 1 1 42 42 GLY N N 42 105.900 105.900 107.415 -1.515 18551 2181 1 7 . 1 1 42 42 GLY C C 42 176.700 176.700 175.291 1.409 18551 2182 1 7 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.349 0.551 18551 2183 1 7 . 1 1 43 43 ALA N N 43 123.500 123.500 123.582 -0.082 18551 2184 1 7 . 1 1 43 43 ALA HA H 43 4.050 4.050 3.921 0.129 18551 2185 1 7 . 1 1 43 43 ALA C C 43 179.700 179.700 178.666 1.034 18551 2186 1 7 . 1 1 43 43 ALA CA C 43 54.700 54.700 53.956 0.744 18551 2187 1 7 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.102 0.698 18551 2188 1 7 . 1 1 44 44 GLN N N 44 121.800 121.800 118.735 3.065 18551 2189 1 7 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.586 -0.986 18551 2190 1 7 . 1 1 44 44 GLN C C 44 177.500 177.500 178.118 -0.618 18551 2191 1 7 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.276 1.124 18551 2192 1 7 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.179 -0.579 18551 2193 1 7 . 1 1 45 45 GLU N N 45 120.200 120.200 117.531 2.669 18551 2194 1 7 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.083 -0.313 18551 2195 1 7 . 1 1 45 45 GLU C C 45 179.000 179.000 178.833 0.167 18551 2196 1 7 . 1 1 45 45 GLU CA C 45 59.900 59.900 57.574 2.326 18551 2197 1 7 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.026 0.374 18551 2198 1 7 . 1 1 46 46 ARG N N 46 119.900 119.900 120.806 -0.906 18551 2199 1 7 . 1 1 46 46 ARG HA H 46 3.900 3.900 3.969 -0.069 18551 2200 1 7 . 1 1 46 46 ARG C C 46 177.800 177.800 178.423 -0.623 18551 2201 1 7 . 1 1 46 46 ARG CA C 46 59.600 59.600 58.737 0.863 18551 2202 1 7 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.504 0.596 18551 2203 1 7 . 1 1 47 47 HIS N N 47 118.200 118.200 118.353 -0.153 18551 2204 1 7 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.434 -0.294 18551 2205 1 7 . 1 1 47 47 HIS C C 47 176.300 176.300 177.488 -1.188 18551 2206 1 7 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.429 0.171 18551 2207 1 7 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.302 -2.402 18551 2208 1 7 . 1 1 48 48 LEU N N 48 120.000 120.000 118.110 1.890 18551 2209 1 7 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.145 -0.335 18551 2210 1 7 . 1 1 48 48 LEU C C 48 178.500 178.500 178.551 -0.051 18551 2211 1 7 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.821 1.379 18551 2212 1 7 . 1 1 48 48 LEU CB C 48 42.700 42.700 41.962 0.738 18551 2213 1 7 . 1 1 49 49 ARG N N 49 115.400 115.400 117.378 -1.978 18551 2214 1 7 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.178 -0.278 18551 2215 1 7 . 1 1 49 49 ARG C C 49 177.600 177.600 177.586 0.014 18551 2216 1 7 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.688 0.012 18551 2217 1 7 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.111 0.389 18551 2218 1 7 . 1 1 50 50 LEU N N 50 117.200 117.200 118.806 -1.606 18551 2219 1 7 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.284 -0.084 18551 2220 1 7 . 1 1 50 50 LEU C C 50 179.000 179.000 178.307 0.693 18551 2221 1 7 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.302 0.498 18551 2222 1 7 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.743 -0.043 18551 2223 1 7 . 1 1 51 51 LEU N N 51 117.800 117.800 116.541 1.259 18551 2224 1 7 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.075 0.195 18551 2225 1 7 . 1 1 51 51 LEU C C 51 178.100 178.100 177.408 0.692 18551 2226 1 7 . 1 1 51 51 LEU CA C 51 55.000 55.000 55.425 -0.425 18551 2227 1 7 . 1 1 51 51 LEU CB C 51 41.200 41.200 41.979 -0.779 18551 2228 1 7 . 1 1 52 52 HIS N N 52 115.300 115.300 116.317 -1.017 18551 2229 1 7 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.736 0.624 18551 2230 1 7 . 1 1 52 52 HIS C C 52 175.000 175.000 174.846 0.154 18551 2231 1 7 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.956 -2.155 18551 2232 1 7 . 1 1 52 52 HIS CB C 52 28.900 28.900 30.297 -1.397 18551 2233 1 7 . 1 1 53 53 ALA N N 53 122.100 122.100 122.550 -0.450 18551 2234 1 7 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.355 -0.285 18551 2235 1 7 . 1 1 53 53 ALA C C 53 178.300 178.300 177.117 1.183 18551 2236 1 7 . 1 1 53 53 ALA CA C 53 54.600 54.600 53.639 0.961 18551 2237 1 7 . 1 1 53 53 ALA CB C 53 18.600 18.600 19.195 -0.595 18551 2238 1 7 . 1 1 54 54 ALA N N 54 118.200 118.200 117.793 0.407 18551 2239 1 7 . 1 1 54 54 ALA HA H 54 4.290 4.290 3.992 0.298 18551 2240 1 7 . 1 1 54 54 ALA C C 54 177.700 177.700 178.484 -0.784 18551 2241 1 7 . 1 1 54 54 ALA CA C 54 52.800 52.800 53.847 -1.047 18551 2242 1 7 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.502 0.498 18551 2243 1 7 . 1 1 55 55 GLN N N 55 118.200 118.200 113.515 4.685 18551 2244 1 7 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.248 0.132 18551 2245 1 7 . 1 1 55 55 GLN C C 55 173.700 173.700 175.301 -1.601 18551 2246 1 7 . 1 1 55 55 GLN CA C 55 55.500 55.500 54.797 0.703 18551 2247 1 7 . 1 1 55 55 GLN CB C 55 30.300 30.300 30.569 -0.269 18551 2248 1 7 . 1 1 56 56 VAL N N 56 115.300 115.300 115.706 -0.406 18551 2249 1 7 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.142 0.268 18551 2250 1 7 . 1 1 56 56 VAL C C 56 174.500 174.500 174.316 0.184 18551 2251 1 7 . 1 1 56 56 VAL CA C 56 60.900 60.900 60.898 0.002 18551 2252 1 7 . 1 1 56 56 VAL CB C 56 33.900 33.900 33.055 0.845 18551 2253 1 7 . 1 1 57 57 PHE N N 57 122.700 122.700 121.272 1.428 18551 2254 1 7 . 1 1 57 57 PHE HA H 57 4.830 4.830 4.988 -0.158 18551 2255 1 7 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.054 0.146 18551 2256 1 7 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.445 -0.445 18551 2257 1 7 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.602 0.118 18551 2258 1 7 . 1 1 58 58 PRO C C 58 175.700 175.700 176.423 -0.723 18551 2259 1 7 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.434 -0.335 18551 2260 1 7 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.221 1.079 18551 2261 1 7 . 1 1 59 59 CYS N N 59 125.200 125.200 126.391 -1.191 18551 2262 1 7 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.444 -0.024 18551 2263 1 7 . 1 1 59 59 CYS C C 59 176.300 176.300 176.592 -0.292 18551 2264 1 7 . 1 1 59 59 CYS CA C 59 60.800 60.800 59.608 1.192 18551 2265 1 7 . 1 1 59 59 CYS CB C 59 29.500 29.500 28.023 1.476 18551 2266 1 7 . 1 1 60 60 LYS N N 60 126.400 126.400 129.313 -2.913 18551 2267 1 7 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.886 0.274 18551 2268 1 7 . 1 1 60 60 LYS C C 60 176.800 176.800 176.646 0.154 18551 2269 1 7 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.927 -1.827 18551 2270 1 7 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.971 0.429 18551 2271 1 7 . 1 1 61 61 TYR N N 61 121.900 121.900 115.500 6.400 18551 2272 1 7 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.543 -0.033 18551 2273 1 7 . 1 1 61 61 TYR C C 61 174.300 174.300 176.307 -2.007 18551 2274 1 7 . 1 1 61 61 TYR CA C 61 57.700 57.700 57.897 -0.197 18551 2275 1 7 . 1 1 61 61 TYR CB C 61 38.000 38.000 39.184 -1.184 18551 2276 1 7 . 1 1 62 62 CYS N N 62 122.800 122.800 116.934 5.866 18551 2277 1 7 . 1 1 62 62 CYS HA H 62 5.070 5.070 5.075 -0.005 18551 2278 1 7 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.024 3.176 18551 2279 1 7 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.680 -0.080 18551 2280 1 7 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.220 0.350 18551 2281 1 7 . 1 1 63 63 PRO C C 63 176.500 176.500 176.919 -0.419 18551 2282 1 7 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.389 0.711 18551 2283 1 7 . 1 1 63 63 PRO CB C 63 31.900 31.900 31.433 0.467 18551 2284 1 7 . 1 1 64 64 ALA N N 64 125.400 125.400 123.351 2.049 18551 2285 1 7 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.012 0.018 18551 2286 1 7 . 1 1 64 64 ALA C C 64 176.100 176.100 176.139 -0.039 18551 2287 1 7 . 1 1 64 64 ALA CA C 64 53.900 53.900 52.062 1.838 18551 2288 1 7 . 1 1 64 64 ALA CB C 64 20.200 20.200 17.977 2.223 18551 2289 1 7 . 1 1 65 65 THR N N 65 113.200 113.200 121.116 -7.916 18551 2290 1 7 . 1 1 65 65 THR HA H 65 4.440 4.440 4.375 0.065 18551 2291 1 7 . 1 1 65 65 THR C C 65 171.400 171.400 173.270 -1.870 18551 2292 1 7 . 1 1 65 65 THR CA C 65 61.400 61.400 61.544 -0.144 18551 2293 1 7 . 1 1 65 65 THR CB C 65 71.600 71.600 69.072 2.529 18551 2294 1 7 . 1 1 66 66 PHE N N 66 120.900 120.900 127.597 -6.697 18551 2295 1 7 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.696 -0.276 18551 2296 1 7 . 1 1 66 66 PHE CA C 66 57.200 57.200 57.030 0.170 18551 2297 1 7 . 1 1 66 66 PHE CB C 66 42.700 42.700 40.526 2.174 18551 2298 1 7 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.782 0.498 18551 2299 1 7 . 1 1 67 67 TYR C C 67 174.800 174.800 174.959 -0.159 18551 2300 1 7 . 1 1 67 67 TYR CA C 67 57.800 57.800 57.866 -0.066 18551 2301 1 7 . 1 1 67 67 TYR CB C 67 38.500 38.500 37.531 0.969 18551 2302 1 7 . 1 1 68 68 SER N N 68 112.800 112.800 114.992 -2.192 18551 2303 1 7 . 1 1 68 68 SER HA H 68 4.440 4.440 4.679 -0.239 18551 2304 1 7 . 1 1 68 68 SER C C 68 172.200 172.200 173.694 -1.494 18551 2305 1 7 . 1 1 68 68 SER CA C 68 57.000 57.000 57.284 -0.284 18551 2306 1 7 . 1 1 68 68 SER CB C 68 66.400 66.400 66.827 -0.427 18551 2307 1 7 . 1 1 69 69 SER N N 69 117.800 117.800 118.397 -0.597 18551 2308 1 7 . 1 1 69 69 SER HA H 69 3.630 3.630 3.368 0.262 18551 2309 1 7 . 1 1 69 69 SER CA C 69 61.900 61.900 61.856 0.044 18551 2310 1 7 . 1 1 69 69 SER CB C 69 60.900 60.900 60.786 0.114 18551 2311 1 7 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.283 -0.023 18551 2312 1 7 . 1 1 70 70 PRO C C 70 179.000 179.000 178.601 0.399 18551 2313 1 7 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.027 0.673 18551 2314 1 7 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.297 -0.297 18551 2315 1 7 . 1 1 71 71 GLY N N 71 105.000 105.000 106.784 -1.784 18551 2316 1 7 . 1 1 71 71 GLY C C 71 175.700 175.700 175.790 -0.090 18551 2317 1 7 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.528 0.172 18551 2318 1 7 . 1 1 72 72 LEU N N 72 123.600 123.600 121.744 1.856 18551 2319 1 7 . 1 1 72 72 LEU HA H 72 3.490 3.490 4.150 -0.660 18551 2320 1 7 . 1 1 72 72 LEU C C 72 177.900 177.900 178.630 -0.730 18551 2321 1 7 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.897 -0.097 18551 2322 1 7 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.621 -1.321 18551 2323 1 7 . 1 1 73 73 THR N N 73 117.100 117.100 114.583 2.517 18551 2324 1 7 . 1 1 73 73 THR HA H 73 3.710 3.710 3.957 -0.247 18551 2325 1 7 . 1 1 73 73 THR C C 73 176.100 176.100 176.957 -0.857 18551 2326 1 7 . 1 1 73 73 THR CA C 73 67.300 67.300 67.168 0.132 18551 2327 1 7 . 1 1 73 73 THR CB C 73 68.700 68.700 68.220 0.480 18551 2328 1 7 . 1 1 74 74 ARG N N 74 120.200 120.200 121.276 -1.076 18551 2329 1 7 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.956 0.024 18551 2330 1 7 . 1 1 74 74 ARG C C 74 178.500 178.500 178.686 -0.186 18551 2331 1 7 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.696 -0.096 18551 2332 1 7 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.917 0.183 18551 2333 1 7 . 1 1 75 75 HIS N N 75 118.700 118.700 119.699 -0.999 18551 2334 1 7 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.393 -0.123 18551 2335 1 7 . 1 1 75 75 HIS C C 75 176.900 176.900 177.598 -0.698 18551 2336 1 7 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.952 -0.352 18551 2337 1 7 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.665 -1.765 18551 2338 1 7 . 1 1 76 76 ILE N N 76 121.600 121.600 118.156 3.444 18551 2339 1 7 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.813 -0.393 18551 2340 1 7 . 1 1 76 76 ILE C C 76 177.800 177.800 178.183 -0.383 18551 2341 1 7 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.442 0.858 18551 2342 1 7 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.923 0.077 18551 2343 1 7 . 1 1 77 77 ASN N N 77 115.900 115.900 117.094 -1.194 18551 2344 1 7 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.657 -0.387 18551 2345 1 7 . 1 1 77 77 ASN C C 77 176.400 176.400 176.838 -0.438 18551 2346 1 7 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.516 0.284 18551 2347 1 7 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.528 -0.128 18551 2348 1 7 . 1 1 78 78 LYS N N 78 116.200 116.200 120.237 -4.037 18551 2349 1 7 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.343 -0.173 18551 2350 1 7 . 1 1 78 78 LYS C C 78 178.400 178.400 177.361 1.039 18551 2351 1 7 . 1 1 78 78 LYS CA C 78 58.100 58.100 57.558 0.542 18551 2352 1 7 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.074 0.926 18551 2353 1 7 . 1 1 79 79 CYS N N 79 113.900 113.900 118.869 -4.969 18551 2354 1 7 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.371 -0.281 18551 2355 1 7 . 1 1 79 79 CYS C C 79 174.200 174.200 174.837 -0.637 18551 2356 1 7 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.176 2.524 18551 2357 1 7 . 1 1 79 79 CYS CB C 79 28.000 28.000 27.747 0.254 18551 2358 1 7 . 1 1 80 80 HIS N N 80 117.000 117.000 117.407 -0.407 18551 2359 1 7 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.810 0.470 18551 2360 1 7 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.697 -1.998 18551 2361 1 7 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.309 -2.609 18551 2362 1 7 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.622 -0.302 18551 2363 1 7 . 1 1 81 81 PRO C C 81 178.100 178.100 177.244 0.856 18551 2364 1 7 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.824 0.876 18551 2365 1 7 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.096 -0.596 18551 2366 1 7 . 1 1 82 82 SER N N 82 114.100 114.100 114.915 -0.815 18551 2367 1 7 . 1 1 82 82 SER HA H 82 4.340 4.340 4.561 -0.221 18551 2368 1 7 . 1 1 82 82 SER C C 82 174.900 174.900 174.255 0.645 18551 2369 1 7 . 1 1 82 82 SER CA C 82 59.000 59.000 57.150 1.851 18551 2370 1 7 . 1 1 82 82 SER CB C 82 63.300 63.300 62.721 0.579 18551 2371 1 7 . 1 1 83 83 GLU N N 83 120.600 120.600 124.285 -3.685 18551 2372 1 7 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.163 0.067 18551 2373 1 7 . 1 1 83 83 GLU C C 83 176.300 176.300 177.125 -0.825 18551 2374 1 7 . 1 1 83 83 GLU CA C 83 56.100 56.100 57.620 -1.520 18551 2375 1 7 . 1 1 83 83 GLU CB C 83 29.400 29.400 29.563 -0.163 18551 2376 1 7 . 1 1 84 84 ASN N N 84 119.100 119.100 117.074 2.026 18551 2377 1 7 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.779 -0.069 18551 2378 1 7 . 1 1 84 84 ASN C C 84 174.100 174.100 175.392 -1.292 18551 2379 1 7 . 1 1 84 84 ASN CA C 84 53.200 53.200 53.119 0.081 18551 2380 1 7 . 1 1 84 84 ASN CB C 84 39.000 39.000 38.574 0.426 18551 2381 1 8 . 1 1 11 11 MET HA H 11 4.440 4.440 4.055 0.385 18551 2382 1 8 . 1 1 11 11 MET C C 11 176.600 176.600 175.149 1.451 18551 2383 1 8 . 1 1 11 11 MET CA C 11 55.600 55.600 55.429 0.171 18551 2384 1 8 . 1 1 11 11 MET CB C 11 32.700 32.700 32.693 0.007 18551 2385 1 8 . 1 1 12 12 GLY N N 12 110.000 110.000 110.466 -0.466 18551 2386 1 8 . 1 1 12 12 GLY C C 12 173.900 173.900 173.143 0.757 18551 2387 1 8 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.544 0.756 18551 2388 1 8 . 1 1 13 13 ASP N N 13 120.500 120.500 118.380 2.120 18551 2389 1 8 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.468 0.172 18551 2390 1 8 . 1 1 13 13 ASP C C 13 176.900 176.900 175.341 1.559 18551 2391 1 8 . 1 1 13 13 ASP CA C 13 54.500 54.500 54.787 -0.287 18551 2392 1 8 . 1 1 13 13 ASP CB C 13 41.400 41.400 41.109 0.291 18551 2393 1 8 . 1 1 14 14 GLY N N 14 109.300 109.300 107.307 1.993 18551 2394 1 8 . 1 1 14 14 GLY C C 14 174.500 174.500 173.272 1.228 18551 2395 1 8 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.903 0.597 18551 2396 1 8 . 1 1 15 15 GLU N N 15 120.600 120.600 122.547 -1.947 18551 2397 1 8 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.276 0.004 18551 2398 1 8 . 1 1 15 15 GLU C C 15 177.200 177.200 177.478 -0.278 18551 2399 1 8 . 1 1 15 15 GLU CA C 15 56.800 56.800 55.802 0.998 18551 2400 1 8 . 1 1 15 15 GLU CB C 15 30.100 30.100 30.209 -0.109 18551 2401 1 8 . 1 1 16 16 GLY N N 16 109.900 109.900 113.961 -4.061 18551 2402 1 8 . 1 1 16 16 GLY C C 16 174.100 174.100 173.620 0.480 18551 2403 1 8 . 1 1 16 16 GLY CA C 16 45.500 45.500 44.413 1.087 18551 2404 1 8 . 1 1 17 17 ALA N N 17 123.500 123.500 125.218 -1.718 18551 2405 1 8 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.300 0.000 18551 2406 1 8 . 1 1 17 17 ALA C C 17 178.300 178.300 178.461 -0.161 18551 2407 1 8 . 1 1 17 17 ALA CA C 17 52.800 52.800 52.098 0.702 18551 2408 1 8 . 1 1 17 17 ALA CB C 17 19.300 19.300 19.834 -0.534 18551 2409 1 8 . 1 1 18 18 GLY N N 18 108.000 108.000 111.200 -3.200 18551 2410 1 8 . 1 1 18 18 GLY C C 18 174.400 174.400 174.263 0.137 18551 2411 1 8 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.861 0.539 18551 2412 1 8 . 1 1 19 19 VAL N N 19 119.100 119.100 121.214 -2.114 18551 2413 1 8 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.361 -0.271 18551 2414 1 8 . 1 1 19 19 VAL C C 19 176.400 176.400 175.416 0.984 18551 2415 1 8 . 1 1 19 19 VAL CA C 19 62.500 62.500 62.069 0.431 18551 2416 1 8 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.879 -0.379 18551 2417 1 8 . 1 1 20 20 LEU N N 20 125.100 125.100 119.489 5.611 18551 2418 1 8 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.732 -0.402 18551 2419 1 8 . 1 1 20 20 LEU C C 20 177.900 177.900 176.395 1.505 18551 2420 1 8 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.285 1.115 18551 2421 1 8 . 1 1 20 20 LEU CB C 20 42.200 42.200 42.687 -0.487 18551 2422 1 8 . 1 1 21 21 GLY N N 21 109.300 109.300 106.574 2.726 18551 2423 1 8 . 1 1 21 21 GLY C C 21 174.200 174.200 173.867 0.333 18551 2424 1 8 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.517 0.884 18551 2425 1 8 . 1 1 22 22 LEU N N 22 121.600 121.600 120.255 1.345 18551 2426 1 8 . 1 1 22 22 LEU HA H 22 4.370 4.370 3.993 0.377 18551 2427 1 8 . 1 1 22 22 LEU C C 22 177.600 177.600 175.488 2.112 18551 2428 1 8 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.606 0.594 18551 2429 1 8 . 1 1 22 22 LEU CB C 22 42.500 42.500 41.374 1.126 18551 2430 1 8 . 1 1 23 23 SER N N 23 116.500 116.500 115.609 0.891 18551 2431 1 8 . 1 1 23 23 SER HA H 23 4.440 4.440 4.570 -0.130 18551 2432 1 8 . 1 1 23 23 SER C C 23 174.300 174.300 174.777 -0.477 18551 2433 1 8 . 1 1 23 23 SER CA C 23 58.300 58.300 57.702 0.598 18551 2434 1 8 . 1 1 23 23 SER CB C 23 63.800 63.800 63.532 0.268 18551 2435 1 8 . 1 1 24 24 ALA N N 24 126.000 126.000 128.151 -2.151 18551 2436 1 8 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.348 0.002 18551 2437 1 8 . 1 1 24 24 ALA C C 24 177.700 177.700 178.107 -0.407 18551 2438 1 8 . 1 1 24 24 ALA CA C 24 52.700 52.700 51.651 1.048 18551 2439 1 8 . 1 1 24 24 ALA CB C 24 19.400 19.400 19.552 -0.152 18551 2440 1 8 . 1 1 25 25 SER N N 25 114.700 114.700 116.472 -1.772 18551 2441 1 8 . 1 1 25 25 SER HA H 25 4.430 4.430 4.277 0.153 18551 2442 1 8 . 1 1 25 25 SER C C 25 174.200 174.200 174.390 -0.190 18551 2443 1 8 . 1 1 25 25 SER CA C 25 58.200 58.200 58.344 -0.144 18551 2444 1 8 . 1 1 25 25 SER CB C 25 63.900 63.900 61.938 1.962 18551 2445 1 8 . 1 1 26 26 ALA N N 26 125.900 125.900 129.505 -3.605 18551 2446 1 8 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.494 -0.154 18551 2447 1 8 . 1 1 26 26 ALA C C 26 177.400 177.400 176.451 0.949 18551 2448 1 8 . 1 1 26 26 ALA CA C 26 52.500 52.500 52.076 0.424 18551 2449 1 8 . 1 1 26 26 ALA CB C 26 19.400 19.400 19.811 -0.411 18551 2450 1 8 . 1 1 27 27 GLU N N 27 120.100 120.100 122.066 -1.966 18551 2451 1 8 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.538 -0.298 18551 2452 1 8 . 1 1 27 27 GLU C C 27 175.400 175.400 175.391 0.009 18551 2453 1 8 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.296 -0.096 18551 2454 1 8 . 1 1 27 27 GLU CB C 27 30.700 30.700 29.384 1.316 18551 2455 1 8 . 1 1 28 28 CYS N N 28 119.400 119.400 118.154 1.246 18551 2456 1 8 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.614 -0.024 18551 2457 1 8 . 1 1 28 28 CYS C C 28 173.000 173.000 173.130 -0.130 18551 2458 1 8 . 1 1 28 28 CYS CA C 28 57.900 57.900 57.115 0.784 18551 2459 1 8 . 1 1 28 28 CYS CB C 28 28.700 28.700 29.582 -0.882 18551 2460 1 8 . 1 1 29 29 HIS N N 29 124.500 124.500 119.467 5.033 18551 2461 1 8 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.802 -0.162 18551 2462 1 8 . 1 1 29 29 HIS C C 29 174.700 174.700 174.257 0.443 18551 2463 1 8 . 1 1 29 29 HIS CA C 29 55.300 55.300 57.205 -1.905 18551 2464 1 8 . 1 1 29 29 HIS CB C 29 32.400 32.400 30.858 1.542 18551 2465 1 8 . 1 1 30 30 LEU N N 30 123.900 123.900 122.209 1.691 18551 2466 1 8 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.154 -0.084 18551 2467 1 8 . 1 1 30 30 LEU C C 30 178.500 178.500 175.562 2.938 18551 2468 1 8 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.021 0.779 18551 2469 1 8 . 1 1 30 30 LEU CB C 30 43.700 43.700 46.038 -2.338 18551 2470 1 8 . 1 1 31 31 CYS N N 31 126.700 126.700 124.557 2.143 18551 2471 1 8 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.905 -0.095 18551 2472 1 8 . 1 1 31 31 CYS C C 31 53.800 53.800 174.807 -121.007 18551 2473 1 8 . 1 1 31 31 CYS CA C 31 57.100 57.100 55.797 1.303 18551 2474 1 8 . 1 1 31 31 CYS CB C 31 30.300 30.300 27.562 2.738 18551 2475 1 8 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.277 0.183 18551 2476 1 8 . 1 1 32 32 PRO C C 32 176.000 176.000 176.433 -0.433 18551 2477 1 8 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.440 -1.440 18551 2478 1 8 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.501 0.699 18551 2479 1 8 . 1 1 33 33 VAL N N 33 122.000 122.000 115.652 6.348 18551 2480 1 8 . 1 1 33 33 VAL HA H 33 3.810 3.810 3.955 -0.145 18551 2481 1 8 . 1 1 33 33 VAL C C 33 176.700 176.700 175.836 0.864 18551 2482 1 8 . 1 1 33 33 VAL CA C 33 64.800 64.800 63.414 1.386 18551 2483 1 8 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.002 0.698 18551 2484 1 8 . 1 1 34 34 CYS N N 34 117.100 117.100 117.871 -0.771 18551 2485 1 8 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.668 0.502 18551 2486 1 8 . 1 1 34 34 CYS C C 34 176.800 176.800 174.834 1.966 18551 2487 1 8 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.961 1.539 18551 2488 1 8 . 1 1 34 34 CYS CB C 34 32.700 32.700 29.555 3.145 18551 2489 1 8 . 1 1 35 35 GLY N N 35 112.500 112.500 110.553 1.947 18551 2490 1 8 . 1 1 35 35 GLY C C 35 173.200 173.200 173.759 -0.559 18551 2491 1 8 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.854 -0.454 18551 2492 1 8 . 1 1 36 36 GLU N N 36 122.500 122.500 123.173 -0.673 18551 2493 1 8 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.151 -0.161 18551 2494 1 8 . 1 1 36 36 GLU C C 36 173.800 173.800 174.345 -0.545 18551 2495 1 8 . 1 1 36 36 GLU CA C 36 57.900 57.900 54.980 2.920 18551 2496 1 8 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.442 -0.942 18551 2497 1 8 . 1 1 37 37 SER N N 37 116.300 116.300 120.004 -3.704 18551 2498 1 8 . 1 1 37 37 SER HA H 37 4.820 4.820 4.620 0.200 18551 2499 1 8 . 1 1 37 37 SER C C 37 173.300 173.300 173.587 -0.287 18551 2500 1 8 . 1 1 37 37 SER CA C 37 57.200 57.200 57.782 -0.582 18551 2501 1 8 . 1 1 37 37 SER CB C 37 65.300 65.300 63.938 1.362 18551 2502 1 8 . 1 1 38 38 PHE N N 38 120.000 120.000 121.513 -1.513 18551 2503 1 8 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.776 -0.126 18551 2504 1 8 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.649 -0.249 18551 2505 1 8 . 1 1 38 38 PHE CB C 38 44.000 44.000 42.892 1.108 18551 2506 1 8 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.357 0.233 18551 2507 1 8 . 1 1 39 39 ALA C C 39 176.700 176.700 178.472 -1.772 18551 2508 1 8 . 1 1 39 39 ALA CA C 39 52.700 52.700 54.050 -1.351 18551 2509 1 8 . 1 1 39 39 ALA CB C 39 19.400 19.400 18.830 0.570 18551 2510 1 8 . 1 1 40 40 SER N N 40 107.500 107.500 114.384 -6.884 18551 2511 1 8 . 1 1 40 40 SER HA H 40 4.560 4.560 4.551 0.009 18551 2512 1 8 . 1 1 40 40 SER C C 40 173.400 173.400 175.180 -1.780 18551 2513 1 8 . 1 1 40 40 SER CA C 40 56.100 56.100 57.300 -1.200 18551 2514 1 8 . 1 1 40 40 SER CB C 40 66.400 66.400 64.171 2.229 18551 2515 1 8 . 1 1 41 41 LYS N N 41 124.400 124.400 123.268 1.132 18551 2516 1 8 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.746 -0.306 18551 2517 1 8 . 1 1 41 41 LYS C C 41 178.600 178.600 178.657 -0.057 18551 2518 1 8 . 1 1 41 41 LYS CA C 41 58.200 58.200 59.171 -0.971 18551 2519 1 8 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.131 -0.031 18551 2520 1 8 . 1 1 42 42 GLY N N 42 105.900 105.900 106.825 -0.925 18551 2521 1 8 . 1 1 42 42 GLY C C 42 176.700 176.700 176.074 0.626 18551 2522 1 8 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.732 0.168 18551 2523 1 8 . 1 1 43 43 ALA N N 43 123.500 123.500 123.773 -0.273 18551 2524 1 8 . 1 1 43 43 ALA HA H 43 4.050 4.050 4.010 0.040 18551 2525 1 8 . 1 1 43 43 ALA C C 43 179.700 179.700 178.956 0.744 18551 2526 1 8 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.390 0.310 18551 2527 1 8 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.211 0.589 18551 2528 1 8 . 1 1 44 44 GLN N N 44 121.800 121.800 118.659 3.141 18551 2529 1 8 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.195 -0.595 18551 2530 1 8 . 1 1 44 44 GLN C C 44 177.500 177.500 178.072 -0.572 18551 2531 1 8 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.445 0.955 18551 2532 1 8 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.490 -0.890 18551 2533 1 8 . 1 1 45 45 GLU N N 45 120.200 120.200 119.100 1.100 18551 2534 1 8 . 1 1 45 45 GLU HA H 45 3.770 3.770 3.858 -0.088 18551 2535 1 8 . 1 1 45 45 GLU C C 45 179.000 179.000 178.737 0.263 18551 2536 1 8 . 1 1 45 45 GLU CA C 45 59.900 59.900 59.362 0.538 18551 2537 1 8 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.424 -0.024 18551 2538 1 8 . 1 1 46 46 ARG N N 46 119.900 119.900 117.878 2.022 18551 2539 1 8 . 1 1 46 46 ARG HA H 46 3.900 3.900 4.030 -0.130 18551 2540 1 8 . 1 1 46 46 ARG C C 46 177.800 177.800 178.527 -0.727 18551 2541 1 8 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.309 0.291 18551 2542 1 8 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.724 0.376 18551 2543 1 8 . 1 1 47 47 HIS N N 47 118.200 118.200 119.037 -0.837 18551 2544 1 8 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.453 -0.313 18551 2545 1 8 . 1 1 47 47 HIS C C 47 176.300 176.300 176.994 -0.694 18551 2546 1 8 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.557 0.042 18551 2547 1 8 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.090 -2.191 18551 2548 1 8 . 1 1 48 48 LEU N N 48 120.000 120.000 119.887 0.113 18551 2549 1 8 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.532 -0.722 18551 2550 1 8 . 1 1 48 48 LEU C C 48 178.500 178.500 178.702 -0.202 18551 2551 1 8 . 1 1 48 48 LEU CA C 48 59.200 59.200 56.845 2.355 18551 2552 1 8 . 1 1 48 48 LEU CB C 48 42.700 42.700 42.163 0.537 18551 2553 1 8 . 1 1 49 49 ARG N N 49 115.400 115.400 118.853 -3.453 18551 2554 1 8 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.027 -0.127 18551 2555 1 8 . 1 1 49 49 ARG C C 49 177.600 177.600 177.463 0.137 18551 2556 1 8 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.502 0.198 18551 2557 1 8 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.596 -0.096 18551 2558 1 8 . 1 1 50 50 LEU N N 50 117.200 117.200 117.097 0.103 18551 2559 1 8 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.120 0.080 18551 2560 1 8 . 1 1 50 50 LEU C C 50 179.000 179.000 178.902 0.098 18551 2561 1 8 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.607 0.193 18551 2562 1 8 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.103 0.597 18551 2563 1 8 . 1 1 51 51 LEU N N 51 117.800 117.800 117.121 0.679 18551 2564 1 8 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.061 0.209 18551 2565 1 8 . 1 1 51 51 LEU C C 51 178.100 178.100 178.576 -0.476 18551 2566 1 8 . 1 1 51 51 LEU CA C 51 55.000 55.000 56.815 -1.815 18551 2567 1 8 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.206 -1.006 18551 2568 1 8 . 1 1 52 52 HIS N N 52 115.300 115.300 117.814 -2.514 18551 2569 1 8 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.614 0.746 18551 2570 1 8 . 1 1 52 52 HIS C C 52 175.000 175.000 174.482 0.518 18551 2571 1 8 . 1 1 52 52 HIS CA C 52 52.800 52.800 55.458 -2.658 18551 2572 1 8 . 1 1 52 52 HIS CB C 52 28.900 28.900 28.210 0.690 18551 2573 1 8 . 1 1 53 53 ALA N N 53 122.100 122.100 123.085 -0.985 18551 2574 1 8 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.423 -0.353 18551 2575 1 8 . 1 1 53 53 ALA C C 53 178.300 178.300 177.038 1.262 18551 2576 1 8 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.443 2.157 18551 2577 1 8 . 1 1 53 53 ALA CB C 53 18.600 18.600 18.767 -0.167 18551 2578 1 8 . 1 1 54 54 ALA N N 54 118.200 118.200 119.521 -1.321 18551 2579 1 8 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.053 0.237 18551 2580 1 8 . 1 1 54 54 ALA C C 54 177.700 177.700 178.567 -0.867 18551 2581 1 8 . 1 1 54 54 ALA CA C 54 52.800 52.800 53.953 -1.153 18551 2582 1 8 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.720 0.280 18551 2583 1 8 . 1 1 55 55 GLN N N 55 118.200 118.200 114.231 3.969 18551 2584 1 8 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.453 -0.073 18551 2585 1 8 . 1 1 55 55 GLN C C 55 173.700 173.700 174.791 -1.091 18551 2586 1 8 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.385 0.115 18551 2587 1 8 . 1 1 55 55 GLN CB C 55 30.300 30.300 30.307 -0.007 18551 2588 1 8 . 1 1 56 56 VAL N N 56 115.300 115.300 114.382 0.918 18551 2589 1 8 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.663 -0.253 18551 2590 1 8 . 1 1 56 56 VAL C C 56 174.500 174.500 173.859 0.641 18551 2591 1 8 . 1 1 56 56 VAL CA C 56 60.900 60.900 59.666 1.234 18551 2592 1 8 . 1 1 56 56 VAL CB C 56 33.900 33.900 33.536 0.364 18551 2593 1 8 . 1 1 57 57 PHE N N 57 122.700 122.700 119.721 2.979 18551 2594 1 8 . 1 1 57 57 PHE HA H 57 4.830 4.830 5.011 -0.181 18551 2595 1 8 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.126 0.074 18551 2596 1 8 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.590 -0.590 18551 2597 1 8 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.528 0.192 18551 2598 1 8 . 1 1 58 58 PRO C C 58 175.700 175.700 176.333 -0.633 18551 2599 1 8 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.362 -0.263 18551 2600 1 8 . 1 1 58 58 PRO CB C 58 32.300 32.300 30.951 1.349 18551 2601 1 8 . 1 1 59 59 CYS N N 59 125.200 125.200 126.781 -1.581 18551 2602 1 8 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.367 0.053 18551 2603 1 8 . 1 1 59 59 CYS C C 59 176.300 176.300 176.507 -0.207 18551 2604 1 8 . 1 1 59 59 CYS CA C 59 60.800 60.800 59.190 1.610 18551 2605 1 8 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.590 1.910 18551 2606 1 8 . 1 1 60 60 LYS N N 60 126.400 126.400 128.074 -1.674 18551 2607 1 8 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.878 0.282 18551 2608 1 8 . 1 1 60 60 LYS C C 60 176.800 176.800 176.726 0.074 18551 2609 1 8 . 1 1 60 60 LYS CA C 60 57.100 57.100 59.582 -2.482 18551 2610 1 8 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.926 0.474 18551 2611 1 8 . 1 1 61 61 TYR N N 61 121.900 121.900 114.264 7.636 18551 2612 1 8 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.577 -0.067 18551 2613 1 8 . 1 1 61 61 TYR C C 61 174.300 174.300 176.653 -2.353 18551 2614 1 8 . 1 1 61 61 TYR CA C 61 57.700 57.700 57.172 0.528 18551 2615 1 8 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.614 -0.614 18551 2616 1 8 . 1 1 62 62 CYS N N 62 122.800 122.800 116.132 6.668 18551 2617 1 8 . 1 1 62 62 CYS HA H 62 5.070 5.070 5.045 0.025 18551 2618 1 8 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.333 2.867 18551 2619 1 8 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.200 0.400 18551 2620 1 8 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.258 0.312 18551 2621 1 8 . 1 1 63 63 PRO C C 63 176.500 176.500 176.693 -0.193 18551 2622 1 8 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.490 0.610 18551 2623 1 8 . 1 1 63 63 PRO CB C 63 31.900 31.900 31.817 0.083 18551 2624 1 8 . 1 1 64 64 ALA N N 64 125.400 125.400 123.959 1.441 18551 2625 1 8 . 1 1 64 64 ALA HA H 64 4.030 4.030 3.988 0.042 18551 2626 1 8 . 1 1 64 64 ALA C C 64 176.100 176.100 175.993 0.107 18551 2627 1 8 . 1 1 64 64 ALA CA C 64 53.900 53.900 52.077 1.823 18551 2628 1 8 . 1 1 64 64 ALA CB C 64 20.200 20.200 18.134 2.066 18551 2629 1 8 . 1 1 65 65 THR N N 65 113.200 113.200 119.855 -6.655 18551 2630 1 8 . 1 1 65 65 THR HA H 65 4.440 4.440 4.508 -0.068 18551 2631 1 8 . 1 1 65 65 THR C C 65 171.400 171.400 173.148 -1.748 18551 2632 1 8 . 1 1 65 65 THR CA C 65 61.400 61.400 61.615 -0.215 18551 2633 1 8 . 1 1 65 65 THR CB C 65 71.600 71.600 70.036 1.564 18551 2634 1 8 . 1 1 66 66 PHE N N 66 120.900 120.900 123.032 -2.132 18551 2635 1 8 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.774 -0.354 18551 2636 1 8 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.743 0.457 18551 2637 1 8 . 1 1 66 66 PHE CB C 66 42.700 42.700 42.611 0.089 18551 2638 1 8 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.891 0.389 18551 2639 1 8 . 1 1 67 67 TYR C C 67 174.800 174.800 175.472 -0.672 18551 2640 1 8 . 1 1 67 67 TYR CA C 67 57.800 57.800 58.715 -0.915 18551 2641 1 8 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.710 -0.210 18551 2642 1 8 . 1 1 68 68 SER N N 68 112.800 112.800 113.833 -1.033 18551 2643 1 8 . 1 1 68 68 SER HA H 68 4.440 4.440 4.624 -0.184 18551 2644 1 8 . 1 1 68 68 SER C C 68 172.200 172.200 174.148 -1.948 18551 2645 1 8 . 1 1 68 68 SER CA C 68 57.000 57.000 57.164 -0.164 18551 2646 1 8 . 1 1 68 68 SER CB C 68 66.400 66.400 66.210 0.190 18551 2647 1 8 . 1 1 69 69 SER N N 69 117.800 117.800 120.515 -2.715 18551 2648 1 8 . 1 1 69 69 SER HA H 69 3.630 3.630 3.682 -0.052 18551 2649 1 8 . 1 1 69 69 SER CA C 69 61.900 61.900 60.830 1.070 18551 2650 1 8 . 1 1 69 69 SER CB C 69 60.900 60.900 61.113 -0.213 18551 2651 1 8 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.219 0.041 18551 2652 1 8 . 1 1 70 70 PRO C C 70 179.000 179.000 178.860 0.140 18551 2653 1 8 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.383 0.317 18551 2654 1 8 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.052 -0.052 18551 2655 1 8 . 1 1 71 71 GLY N N 71 105.000 105.000 105.472 -0.472 18551 2656 1 8 . 1 1 71 71 GLY C C 71 175.700 175.700 176.084 -0.384 18551 2657 1 8 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.346 0.354 18551 2658 1 8 . 1 1 72 72 LEU N N 72 123.600 123.600 122.120 1.480 18551 2659 1 8 . 1 1 72 72 LEU HA H 72 3.490 3.490 4.132 -0.642 18551 2660 1 8 . 1 1 72 72 LEU C C 72 177.900 177.900 178.733 -0.833 18551 2661 1 8 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.518 0.282 18551 2662 1 8 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.881 -1.581 18551 2663 1 8 . 1 1 73 73 THR N N 73 117.100 117.100 114.572 2.528 18551 2664 1 8 . 1 1 73 73 THR HA H 73 3.710 3.710 3.999 -0.289 18551 2665 1 8 . 1 1 73 73 THR C C 73 176.100 176.100 176.293 -0.193 18551 2666 1 8 . 1 1 73 73 THR CA C 73 67.300 67.300 66.096 1.204 18551 2667 1 8 . 1 1 73 73 THR CB C 73 68.700 68.700 68.508 0.192 18551 2668 1 8 . 1 1 74 74 ARG N N 74 120.200 120.200 121.284 -1.084 18551 2669 1 8 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.950 0.030 18551 2670 1 8 . 1 1 74 74 ARG C C 74 178.500 178.500 178.295 0.205 18551 2671 1 8 . 1 1 74 74 ARG CA C 74 59.600 59.600 58.607 0.993 18551 2672 1 8 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.103 0.997 18551 2673 1 8 . 1 1 75 75 HIS N N 75 118.700 118.700 118.723 -0.023 18551 2674 1 8 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.431 -0.161 18551 2675 1 8 . 1 1 75 75 HIS C C 75 176.900 176.900 177.862 -0.962 18551 2676 1 8 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.537 0.063 18551 2677 1 8 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.329 -1.429 18551 2678 1 8 . 1 1 76 76 ILE N N 76 121.600 121.600 120.260 1.340 18551 2679 1 8 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.835 -0.415 18551 2680 1 8 . 1 1 76 76 ILE C C 76 177.800 177.800 178.411 -0.611 18551 2681 1 8 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.530 0.770 18551 2682 1 8 . 1 1 76 76 ILE CB C 76 38.000 38.000 38.058 -0.058 18551 2683 1 8 . 1 1 77 77 ASN N N 77 115.900 115.900 115.508 0.392 18551 2684 1 8 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.502 -0.232 18551 2685 1 8 . 1 1 77 77 ASN C C 77 176.400 176.400 176.389 0.011 18551 2686 1 8 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.840 -0.040 18551 2687 1 8 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.417 -0.017 18551 2688 1 8 . 1 1 78 78 LYS N N 78 116.200 116.200 118.782 -2.582 18551 2689 1 8 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.277 -0.107 18551 2690 1 8 . 1 1 78 78 LYS C C 78 178.400 178.400 176.227 2.173 18551 2691 1 8 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.171 -0.071 18551 2692 1 8 . 1 1 78 78 LYS CB C 78 34.000 34.000 34.007 -0.007 18551 2693 1 8 . 1 1 79 79 CYS N N 79 113.900 113.900 117.829 -3.929 18551 2694 1 8 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.623 -0.533 18551 2695 1 8 . 1 1 79 79 CYS C C 79 174.200 174.200 173.316 0.884 18551 2696 1 8 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.751 1.949 18551 2697 1 8 . 1 1 79 79 CYS CB C 79 28.000 28.000 28.818 -0.818 18551 2698 1 8 . 1 1 80 80 HIS N N 80 117.000 117.000 121.193 -4.193 18551 2699 1 8 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.808 0.472 18551 2700 1 8 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.813 -2.113 18551 2701 1 8 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.148 -2.449 18551 2702 1 8 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.664 -0.344 18551 2703 1 8 . 1 1 81 81 PRO C C 81 178.100 178.100 177.169 0.931 18551 2704 1 8 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.085 1.615 18551 2705 1 8 . 1 1 81 81 PRO CB C 81 31.500 31.500 31.834 -0.334 18551 2706 1 8 . 1 1 82 82 SER N N 82 114.100 114.100 114.828 -0.728 18551 2707 1 8 . 1 1 82 82 SER HA H 82 4.340 4.340 4.396 -0.056 18551 2708 1 8 . 1 1 82 82 SER C C 82 174.900 174.900 175.183 -0.283 18551 2709 1 8 . 1 1 82 82 SER CA C 82 59.000 59.000 59.412 -0.412 18551 2710 1 8 . 1 1 82 82 SER CB C 82 63.300 63.300 63.269 0.031 18551 2711 1 8 . 1 1 83 83 GLU N N 83 120.600 120.600 119.611 0.989 18551 2712 1 8 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.341 -0.111 18551 2713 1 8 . 1 1 83 83 GLU C C 83 176.300 176.300 176.323 -0.023 18551 2714 1 8 . 1 1 83 83 GLU CA C 83 56.100 56.100 55.630 0.470 18551 2715 1 8 . 1 1 83 83 GLU CB C 83 29.400 29.400 28.928 0.472 18551 2716 1 8 . 1 1 84 84 ASN N N 84 119.100 119.100 118.182 0.918 18551 2717 1 8 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.504 0.206 18551 2718 1 8 . 1 1 84 84 ASN C C 84 174.100 174.100 175.574 -1.474 18551 2719 1 8 . 1 1 84 84 ASN CA C 84 53.200 53.200 55.348 -2.148 18551 2720 1 8 . 1 1 84 84 ASN CB C 84 39.000 39.000 39.005 -0.005 18551 2721 1 9 . 1 1 11 11 MET HA H 11 4.440 4.440 4.752 -0.312 18551 2722 1 9 . 1 1 11 11 MET C C 11 176.600 176.600 175.042 1.558 18551 2723 1 9 . 1 1 11 11 MET CA C 11 55.600 55.600 54.984 0.615 18551 2724 1 9 . 1 1 11 11 MET CB C 11 32.700 32.700 33.367 -0.667 18551 2725 1 9 . 1 1 12 12 GLY N N 12 110.000 110.000 110.131 -0.131 18551 2726 1 9 . 1 1 12 12 GLY C C 12 173.900 173.900 173.122 0.778 18551 2727 1 9 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.900 0.400 18551 2728 1 9 . 1 1 13 13 ASP N N 13 120.500 120.500 122.724 -2.224 18551 2729 1 9 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.814 -0.174 18551 2730 1 9 . 1 1 13 13 ASP C C 13 176.900 176.900 176.105 0.795 18551 2731 1 9 . 1 1 13 13 ASP CA C 13 54.500 54.500 53.731 0.769 18551 2732 1 9 . 1 1 13 13 ASP CB C 13 41.400 41.400 42.274 -0.874 18551 2733 1 9 . 1 1 14 14 GLY N N 14 109.300 109.300 110.035 -0.735 18551 2734 1 9 . 1 1 14 14 GLY C C 14 174.500 174.500 174.066 0.434 18551 2735 1 9 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.686 0.814 18551 2736 1 9 . 1 1 15 15 GLU N N 15 120.600 120.600 123.912 -3.312 18551 2737 1 9 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.386 -0.106 18551 2738 1 9 . 1 1 15 15 GLU C C 15 177.200 177.200 176.670 0.530 18551 2739 1 9 . 1 1 15 15 GLU CA C 15 56.800 56.800 56.082 0.718 18551 2740 1 9 . 1 1 15 15 GLU CB C 15 30.100 30.100 30.497 -0.397 18551 2741 1 9 . 1 1 16 16 GLY N N 16 109.900 109.900 109.355 0.545 18551 2742 1 9 . 1 1 16 16 GLY C C 16 174.100 174.100 173.551 0.549 18551 2743 1 9 . 1 1 16 16 GLY CA C 16 45.500 45.500 45.035 0.465 18551 2744 1 9 . 1 1 17 17 ALA N N 17 123.500 123.500 123.635 -0.135 18551 2745 1 9 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.456 -0.156 18551 2746 1 9 . 1 1 17 17 ALA C C 17 178.300 178.300 177.667 0.633 18551 2747 1 9 . 1 1 17 17 ALA CA C 17 52.800 52.800 52.228 0.572 18551 2748 1 9 . 1 1 17 17 ALA CB C 17 19.300 19.300 19.830 -0.530 18551 2749 1 9 . 1 1 18 18 GLY N N 18 108.000 108.000 110.495 -2.495 18551 2750 1 9 . 1 1 18 18 GLY C C 18 174.400 174.400 174.074 0.326 18551 2751 1 9 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.740 0.660 18551 2752 1 9 . 1 1 19 19 VAL N N 19 119.100 119.100 118.256 0.844 18551 2753 1 9 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.270 -0.180 18551 2754 1 9 . 1 1 19 19 VAL C C 19 176.400 176.400 175.888 0.512 18551 2755 1 9 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.543 0.957 18551 2756 1 9 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.650 -0.150 18551 2757 1 9 . 1 1 20 20 LEU N N 20 125.100 125.100 122.537 2.563 18551 2758 1 9 . 1 1 20 20 LEU HA H 20 4.330 4.330 5.208 -0.878 18551 2759 1 9 . 1 1 20 20 LEU C C 20 177.900 177.900 176.357 1.543 18551 2760 1 9 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.247 1.153 18551 2761 1 9 . 1 1 20 20 LEU CB C 20 42.200 42.200 44.175 -1.975 18551 2762 1 9 . 1 1 21 21 GLY N N 21 109.300 109.300 108.948 0.352 18551 2763 1 9 . 1 1 21 21 GLY C C 21 174.200 174.200 173.338 0.862 18551 2764 1 9 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.241 1.159 18551 2765 1 9 . 1 1 22 22 LEU N N 22 121.600 121.600 123.361 -1.761 18551 2766 1 9 . 1 1 22 22 LEU HA H 22 4.370 4.370 5.074 -0.704 18551 2767 1 9 . 1 1 22 22 LEU C C 22 177.600 177.600 176.955 0.645 18551 2768 1 9 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.149 1.051 18551 2769 1 9 . 1 1 22 22 LEU CB C 22 42.500 42.500 43.595 -1.095 18551 2770 1 9 . 1 1 23 23 SER N N 23 116.500 116.500 115.552 0.948 18551 2771 1 9 . 1 1 23 23 SER HA H 23 4.440 4.440 4.623 -0.183 18551 2772 1 9 . 1 1 23 23 SER C C 23 174.300 174.300 173.133 1.167 18551 2773 1 9 . 1 1 23 23 SER CA C 23 58.300 58.300 57.938 0.362 18551 2774 1 9 . 1 1 23 23 SER CB C 23 63.800 63.800 64.628 -0.828 18551 2775 1 9 . 1 1 24 24 ALA N N 24 126.000 126.000 124.578 1.422 18551 2776 1 9 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.235 0.115 18551 2777 1 9 . 1 1 24 24 ALA C C 24 177.700 177.700 176.447 1.253 18551 2778 1 9 . 1 1 24 24 ALA CA C 24 52.700 52.700 52.494 0.206 18551 2779 1 9 . 1 1 24 24 ALA CB C 24 19.400 19.400 18.425 0.975 18551 2780 1 9 . 1 1 25 25 SER N N 25 114.700 114.700 116.017 -1.317 18551 2781 1 9 . 1 1 25 25 SER HA H 25 4.430 4.430 4.640 -0.210 18551 2782 1 9 . 1 1 25 25 SER C C 25 174.200 174.200 174.212 -0.012 18551 2783 1 9 . 1 1 25 25 SER CA C 25 58.200 58.200 57.864 0.337 18551 2784 1 9 . 1 1 25 25 SER CB C 25 63.900 63.900 64.226 -0.326 18551 2785 1 9 . 1 1 26 26 ALA N N 26 125.900 125.900 124.845 1.055 18551 2786 1 9 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.452 -0.112 18551 2787 1 9 . 1 1 26 26 ALA C C 26 177.400 177.400 176.646 0.754 18551 2788 1 9 . 1 1 26 26 ALA CA C 26 52.500 52.500 51.470 1.030 18551 2789 1 9 . 1 1 26 26 ALA CB C 26 19.400 19.400 19.564 -0.164 18551 2790 1 9 . 1 1 27 27 GLU N N 27 120.100 120.100 120.701 -0.601 18551 2791 1 9 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.440 -0.200 18551 2792 1 9 . 1 1 27 27 GLU C C 27 175.400 175.400 175.504 -0.104 18551 2793 1 9 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.244 -0.044 18551 2794 1 9 . 1 1 27 27 GLU CB C 27 30.700 30.700 29.451 1.249 18551 2795 1 9 . 1 1 28 28 CYS N N 28 119.400 119.400 121.476 -2.076 18551 2796 1 9 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.508 0.082 18551 2797 1 9 . 1 1 28 28 CYS C C 28 173.000 173.000 173.910 -0.910 18551 2798 1 9 . 1 1 28 28 CYS CA C 28 57.900 57.900 57.116 0.784 18551 2799 1 9 . 1 1 28 28 CYS CB C 28 28.700 28.700 30.648 -1.948 18551 2800 1 9 . 1 1 29 29 HIS N N 29 124.500 124.500 121.307 3.193 18551 2801 1 9 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.803 -0.163 18551 2802 1 9 . 1 1 29 29 HIS C C 29 174.700 174.700 173.991 0.709 18551 2803 1 9 . 1 1 29 29 HIS CA C 29 55.300 55.300 55.445 -0.145 18551 2804 1 9 . 1 1 29 29 HIS CB C 29 32.400 32.400 29.670 2.730 18551 2805 1 9 . 1 1 30 30 LEU N N 30 123.900 123.900 124.993 -1.093 18551 2806 1 9 . 1 1 30 30 LEU HA H 30 5.070 5.070 4.939 0.131 18551 2807 1 9 . 1 1 30 30 LEU C C 30 178.500 178.500 177.105 1.395 18551 2808 1 9 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.707 0.093 18551 2809 1 9 . 1 1 30 30 LEU CB C 30 43.700 43.700 43.548 0.152 18551 2810 1 9 . 1 1 31 31 CYS N N 31 126.700 126.700 125.028 1.672 18551 2811 1 9 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.605 0.205 18551 2812 1 9 . 1 1 31 31 CYS C C 31 53.800 53.800 175.361 -121.561 18551 2813 1 9 . 1 1 31 31 CYS CA C 31 57.100 57.100 57.213 -0.113 18551 2814 1 9 . 1 1 31 31 CYS CB C 31 30.300 30.300 27.456 2.844 18551 2815 1 9 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.324 0.136 18551 2816 1 9 . 1 1 32 32 PRO C C 32 176.000 176.000 176.145 -0.145 18551 2817 1 9 . 1 1 32 32 PRO CA C 32 64.000 64.000 64.803 -0.803 18551 2818 1 9 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.269 0.931 18551 2819 1 9 . 1 1 33 33 VAL N N 33 122.000 122.000 114.249 7.751 18551 2820 1 9 . 1 1 33 33 VAL HA H 33 3.810 3.810 4.117 -0.307 18551 2821 1 9 . 1 1 33 33 VAL C C 33 176.700 176.700 174.959 1.741 18551 2822 1 9 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.039 2.761 18551 2823 1 9 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.747 -0.047 18551 2824 1 9 . 1 1 34 34 CYS N N 34 117.100 117.100 117.772 -0.672 18551 2825 1 9 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.805 0.365 18551 2826 1 9 . 1 1 34 34 CYS C C 34 176.800 176.800 175.144 1.656 18551 2827 1 9 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.800 1.700 18551 2828 1 9 . 1 1 34 34 CYS CB C 34 32.700 32.700 29.829 2.871 18551 2829 1 9 . 1 1 35 35 GLY N N 35 112.500 112.500 109.662 2.838 18551 2830 1 9 . 1 1 35 35 GLY C C 35 173.200 173.200 173.812 -0.612 18551 2831 1 9 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.596 -0.196 18551 2832 1 9 . 1 1 36 36 GLU N N 36 122.500 122.500 123.112 -0.612 18551 2833 1 9 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.125 -0.135 18551 2834 1 9 . 1 1 36 36 GLU C C 36 173.800 173.800 174.562 -0.762 18551 2835 1 9 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.032 2.868 18551 2836 1 9 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.007 -0.507 18551 2837 1 9 . 1 1 37 37 SER N N 37 116.300 116.300 119.599 -3.299 18551 2838 1 9 . 1 1 37 37 SER HA H 37 4.820 4.820 4.412 0.408 18551 2839 1 9 . 1 1 37 37 SER C C 37 173.300 173.300 173.603 -0.303 18551 2840 1 9 . 1 1 37 37 SER CA C 37 57.200 57.200 58.274 -1.074 18551 2841 1 9 . 1 1 37 37 SER CB C 37 65.300 65.300 63.490 1.810 18551 2842 1 9 . 1 1 38 38 PHE N N 38 120.000 120.000 122.775 -2.775 18551 2843 1 9 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.772 -0.122 18551 2844 1 9 . 1 1 38 38 PHE CA C 38 57.400 57.400 56.780 0.620 18551 2845 1 9 . 1 1 38 38 PHE CB C 38 44.000 44.000 42.054 1.946 18551 2846 1 9 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.190 0.400 18551 2847 1 9 . 1 1 39 39 ALA C C 39 176.700 176.700 177.173 -0.473 18551 2848 1 9 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.975 -1.275 18551 2849 1 9 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.231 0.169 18551 2850 1 9 . 1 1 40 40 SER N N 40 107.500 107.500 111.020 -3.520 18551 2851 1 9 . 1 1 40 40 SER HA H 40 4.560 4.560 4.756 -0.196 18551 2852 1 9 . 1 1 40 40 SER C C 40 173.400 173.400 174.878 -1.478 18551 2853 1 9 . 1 1 40 40 SER CA C 40 56.100 56.100 56.764 -0.665 18551 2854 1 9 . 1 1 40 40 SER CB C 40 66.400 66.400 66.049 0.351 18551 2855 1 9 . 1 1 41 41 LYS N N 41 124.400 124.400 123.761 0.639 18551 2856 1 9 . 1 1 41 41 LYS HA H 41 3.440 3.440 4.120 -0.680 18551 2857 1 9 . 1 1 41 41 LYS C C 41 178.600 178.600 178.019 0.581 18551 2858 1 9 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.466 -0.266 18551 2859 1 9 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.139 -0.039 18551 2860 1 9 . 1 1 42 42 GLY N N 42 105.900 105.900 107.449 -1.549 18551 2861 1 9 . 1 1 42 42 GLY C C 42 176.700 176.700 175.933 0.767 18551 2862 1 9 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.796 0.104 18551 2863 1 9 . 1 1 43 43 ALA N N 43 123.500 123.500 122.427 1.073 18551 2864 1 9 . 1 1 43 43 ALA HA H 43 4.050 4.050 4.034 0.016 18551 2865 1 9 . 1 1 43 43 ALA C C 43 179.700 179.700 178.691 1.009 18551 2866 1 9 . 1 1 43 43 ALA CA C 43 54.700 54.700 53.797 0.903 18551 2867 1 9 . 1 1 43 43 ALA CB C 43 18.800 18.800 17.914 0.886 18551 2868 1 9 . 1 1 44 44 GLN N N 44 121.800 121.800 118.530 3.270 18551 2869 1 9 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.818 -1.218 18551 2870 1 9 . 1 1 44 44 GLN C C 44 177.500 177.500 177.757 -0.257 18551 2871 1 9 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.450 0.950 18551 2872 1 9 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.866 -1.266 18551 2873 1 9 . 1 1 45 45 GLU N N 45 120.200 120.200 118.566 1.634 18551 2874 1 9 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.078 -0.308 18551 2875 1 9 . 1 1 45 45 GLU C C 45 179.000 179.000 178.770 0.230 18551 2876 1 9 . 1 1 45 45 GLU CA C 45 59.900 59.900 58.274 1.626 18551 2877 1 9 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.033 0.367 18551 2878 1 9 . 1 1 46 46 ARG N N 46 119.900 119.900 118.956 0.944 18551 2879 1 9 . 1 1 46 46 ARG HA H 46 3.900 3.900 4.046 -0.146 18551 2880 1 9 . 1 1 46 46 ARG C C 46 177.800 177.800 178.262 -0.462 18551 2881 1 9 . 1 1 46 46 ARG CA C 46 59.600 59.600 58.934 0.665 18551 2882 1 9 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.119 0.981 18551 2883 1 9 . 1 1 47 47 HIS N N 47 118.200 118.200 119.628 -1.428 18551 2884 1 9 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.388 -0.248 18551 2885 1 9 . 1 1 47 47 HIS C C 47 176.300 176.300 177.173 -0.873 18551 2886 1 9 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.551 0.049 18551 2887 1 9 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.356 -2.456 18551 2888 1 9 . 1 1 48 48 LEU N N 48 120.000 120.000 118.857 1.143 18551 2889 1 9 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.299 -0.489 18551 2890 1 9 . 1 1 48 48 LEU C C 48 178.500 178.500 178.189 0.311 18551 2891 1 9 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.641 1.559 18551 2892 1 9 . 1 1 48 48 LEU CB C 48 42.700 42.700 42.206 0.494 18551 2893 1 9 . 1 1 49 49 ARG N N 49 115.400 115.400 117.256 -1.856 18551 2894 1 9 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.079 -0.179 18551 2895 1 9 . 1 1 49 49 ARG C C 49 177.600 177.600 177.442 0.158 18551 2896 1 9 . 1 1 49 49 ARG CA C 49 58.700 58.700 57.727 0.973 18551 2897 1 9 . 1 1 49 49 ARG CB C 49 30.500 30.500 29.629 0.871 18551 2898 1 9 . 1 1 50 50 LEU N N 50 117.200 117.200 118.280 -1.080 18551 2899 1 9 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.083 0.117 18551 2900 1 9 . 1 1 50 50 LEU C C 50 179.000 179.000 178.098 0.902 18551 2901 1 9 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.845 -0.045 18551 2902 1 9 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.105 0.595 18551 2903 1 9 . 1 1 51 51 LEU N N 51 117.800 117.800 115.842 1.958 18551 2904 1 9 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.341 -0.071 18551 2905 1 9 . 1 1 51 51 LEU C C 51 178.100 178.100 178.754 -0.654 18551 2906 1 9 . 1 1 51 51 LEU CA C 51 55.000 55.000 55.957 -0.957 18551 2907 1 9 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.950 -1.750 18551 2908 1 9 . 1 1 52 52 HIS N N 52 115.300 115.300 118.393 -3.093 18551 2909 1 9 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.591 0.769 18551 2910 1 9 . 1 1 52 52 HIS C C 52 175.000 175.000 174.605 0.395 18551 2911 1 9 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.993 -2.193 18551 2912 1 9 . 1 1 52 52 HIS CB C 52 28.900 28.900 28.491 0.409 18551 2913 1 9 . 1 1 53 53 ALA N N 53 122.100 122.100 122.420 -0.320 18551 2914 1 9 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.265 -0.195 18551 2915 1 9 . 1 1 53 53 ALA C C 53 178.300 178.300 176.965 1.335 18551 2916 1 9 . 1 1 53 53 ALA CA C 53 54.600 54.600 51.925 2.675 18551 2917 1 9 . 1 1 53 53 ALA CB C 53 18.600 18.600 19.023 -0.423 18551 2918 1 9 . 1 1 54 54 ALA N N 54 118.200 118.200 119.952 -1.752 18551 2919 1 9 . 1 1 54 54 ALA HA H 54 4.290 4.290 3.964 0.326 18551 2920 1 9 . 1 1 54 54 ALA C C 54 177.700 177.700 179.061 -1.361 18551 2921 1 9 . 1 1 54 54 ALA CA C 54 52.800 52.800 54.139 -1.339 18551 2922 1 9 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.595 0.406 18551 2923 1 9 . 1 1 55 55 GLN N N 55 118.200 118.200 114.422 3.778 18551 2924 1 9 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.106 0.274 18551 2925 1 9 . 1 1 55 55 GLN C C 55 173.700 173.700 175.451 -1.751 18551 2926 1 9 . 1 1 55 55 GLN CA C 55 55.500 55.500 56.156 -0.656 18551 2927 1 9 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.725 0.575 18551 2928 1 9 . 1 1 56 56 VAL N N 56 115.300 115.300 112.931 2.369 18551 2929 1 9 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.815 -0.405 18551 2930 1 9 . 1 1 56 56 VAL C C 56 174.500 174.500 174.277 0.223 18551 2931 1 9 . 1 1 56 56 VAL CA C 56 60.900 60.900 59.477 1.423 18551 2932 1 9 . 1 1 56 56 VAL CB C 56 33.900 33.900 33.365 0.535 18551 2933 1 9 . 1 1 57 57 PHE N N 57 122.700 122.700 119.475 3.225 18551 2934 1 9 . 1 1 57 57 PHE HA H 57 4.830 4.830 5.037 -0.207 18551 2935 1 9 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.198 0.002 18551 2936 1 9 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.401 -0.401 18551 2937 1 9 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.891 -0.171 18551 2938 1 9 . 1 1 58 58 PRO C C 58 175.700 175.700 176.393 -0.693 18551 2939 1 9 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.446 -0.346 18551 2940 1 9 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.231 1.069 18551 2941 1 9 . 1 1 59 59 CYS N N 59 125.200 125.200 126.465 -1.265 18551 2942 1 9 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.443 -0.023 18551 2943 1 9 . 1 1 59 59 CYS C C 59 176.300 176.300 175.993 0.307 18551 2944 1 9 . 1 1 59 59 CYS CA C 59 60.800 60.800 58.529 2.271 18551 2945 1 9 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.205 2.295 18551 2946 1 9 . 1 1 60 60 LYS N N 60 126.400 126.400 128.388 -1.988 18551 2947 1 9 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.950 0.210 18551 2948 1 9 . 1 1 60 60 LYS C C 60 176.800 176.800 176.658 0.142 18551 2949 1 9 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.727 -1.627 18551 2950 1 9 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.959 0.441 18551 2951 1 9 . 1 1 61 61 TYR N N 61 121.900 121.900 115.401 6.499 18551 2952 1 9 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.244 0.266 18551 2953 1 9 . 1 1 61 61 TYR C C 61 174.300 174.300 176.192 -1.892 18551 2954 1 9 . 1 1 61 61 TYR CA C 61 57.700 57.700 58.249 -0.549 18551 2955 1 9 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.013 -0.013 18551 2956 1 9 . 1 1 62 62 CYS N N 62 122.800 122.800 116.150 6.650 18551 2957 1 9 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.876 0.194 18551 2958 1 9 . 1 1 62 62 CYS CA C 62 58.200 58.200 54.920 3.280 18551 2959 1 9 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.237 0.363 18551 2960 1 9 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.256 0.314 18551 2961 1 9 . 1 1 63 63 PRO C C 63 176.500 176.500 175.526 0.974 18551 2962 1 9 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.117 0.983 18551 2963 1 9 . 1 1 63 63 PRO CB C 63 31.900 31.900 29.694 2.206 18551 2964 1 9 . 1 1 64 64 ALA N N 64 125.400 125.400 128.171 -2.771 18551 2965 1 9 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.579 -0.549 18551 2966 1 9 . 1 1 64 64 ALA C C 64 176.100 176.100 175.676 0.424 18551 2967 1 9 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.969 1.931 18551 2968 1 9 . 1 1 64 64 ALA CB C 64 20.200 20.200 20.829 -0.629 18551 2969 1 9 . 1 1 65 65 THR N N 65 113.200 113.200 116.954 -3.754 18551 2970 1 9 . 1 1 65 65 THR HA H 65 4.440 4.440 4.424 0.016 18551 2971 1 9 . 1 1 65 65 THR C C 65 171.400 171.400 173.379 -1.979 18551 2972 1 9 . 1 1 65 65 THR CA C 65 61.400 61.400 61.179 0.221 18551 2973 1 9 . 1 1 65 65 THR CB C 65 71.600 71.600 69.817 1.783 18551 2974 1 9 . 1 1 66 66 PHE N N 66 120.900 120.900 121.846 -0.946 18551 2975 1 9 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.785 -0.365 18551 2976 1 9 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.468 0.732 18551 2977 1 9 . 1 1 66 66 PHE CB C 66 42.700 42.700 42.171 0.529 18551 2978 1 9 . 1 1 67 67 TYR HA H 67 5.280 5.280 5.108 0.172 18551 2979 1 9 . 1 1 67 67 TYR C C 67 174.800 174.800 175.092 -0.292 18551 2980 1 9 . 1 1 67 67 TYR CA C 67 57.800 57.800 57.188 0.612 18551 2981 1 9 . 1 1 67 67 TYR CB C 67 38.500 38.500 40.243 -1.743 18551 2982 1 9 . 1 1 68 68 SER N N 68 112.800 112.800 113.910 -1.110 18551 2983 1 9 . 1 1 68 68 SER HA H 68 4.440 4.440 4.576 -0.136 18551 2984 1 9 . 1 1 68 68 SER C C 68 172.200 172.200 174.403 -2.203 18551 2985 1 9 . 1 1 68 68 SER CA C 68 57.000 57.000 56.529 0.471 18551 2986 1 9 . 1 1 68 68 SER CB C 68 66.400 66.400 66.463 -0.063 18551 2987 1 9 . 1 1 69 69 SER N N 69 117.800 117.800 119.645 -1.845 18551 2988 1 9 . 1 1 69 69 SER HA H 69 3.630 3.630 3.464 0.166 18551 2989 1 9 . 1 1 69 69 SER CA C 69 61.900 61.900 62.238 -0.338 18551 2990 1 9 . 1 1 69 69 SER CB C 69 60.900 60.900 60.882 0.018 18551 2991 1 9 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.179 0.081 18551 2992 1 9 . 1 1 70 70 PRO C C 70 179.000 179.000 178.457 0.543 18551 2993 1 9 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.285 0.415 18551 2994 1 9 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.197 -0.197 18551 2995 1 9 . 1 1 71 71 GLY N N 71 105.000 105.000 106.334 -1.334 18551 2996 1 9 . 1 1 71 71 GLY C C 71 175.700 175.700 175.720 -0.020 18551 2997 1 9 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.549 0.151 18551 2998 1 9 . 1 1 72 72 LEU N N 72 123.600 123.600 122.402 1.198 18551 2999 1 9 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.854 -0.364 18551 3000 1 9 . 1 1 72 72 LEU C C 72 177.900 177.900 178.841 -0.941 18551 3001 1 9 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.491 0.309 18551 3002 1 9 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.742 -1.442 18551 3003 1 9 . 1 1 73 73 THR N N 73 117.100 117.100 114.532 2.568 18551 3004 1 9 . 1 1 73 73 THR HA H 73 3.710 3.710 3.985 -0.275 18551 3005 1 9 . 1 1 73 73 THR C C 73 176.100 176.100 176.911 -0.811 18551 3006 1 9 . 1 1 73 73 THR CA C 73 67.300 67.300 66.870 0.430 18551 3007 1 9 . 1 1 73 73 THR CB C 73 68.700 68.700 68.310 0.390 18551 3008 1 9 . 1 1 74 74 ARG N N 74 120.200 120.200 121.914 -1.714 18551 3009 1 9 . 1 1 74 74 ARG HA H 74 3.980 3.980 4.024 -0.044 18551 3010 1 9 . 1 1 74 74 ARG C C 74 178.500 178.500 178.421 0.079 18551 3011 1 9 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.805 -0.205 18551 3012 1 9 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.968 0.132 18551 3013 1 9 . 1 1 75 75 HIS N N 75 118.700 118.700 118.958 -0.258 18551 3014 1 9 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.470 -0.200 18551 3015 1 9 . 1 1 75 75 HIS C C 75 176.900 176.900 177.392 -0.492 18551 3016 1 9 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.513 0.087 18551 3017 1 9 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.415 -1.515 18551 3018 1 9 . 1 1 76 76 ILE N N 76 121.600 121.600 120.326 1.274 18551 3019 1 9 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.939 -0.519 18551 3020 1 9 . 1 1 76 76 ILE C C 76 177.800 177.800 178.045 -0.245 18551 3021 1 9 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.261 1.039 18551 3022 1 9 . 1 1 76 76 ILE CB C 76 38.000 38.000 38.085 -0.085 18551 3023 1 9 . 1 1 77 77 ASN N N 77 115.900 115.900 118.021 -2.121 18551 3024 1 9 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.348 -0.078 18551 3025 1 9 . 1 1 77 77 ASN C C 77 176.400 176.400 176.837 -0.437 18551 3026 1 9 . 1 1 77 77 ASN CA C 77 55.800 55.800 56.406 -0.606 18551 3027 1 9 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.636 -0.236 18551 3028 1 9 . 1 1 78 78 LYS N N 78 116.200 116.200 118.299 -2.099 18551 3029 1 9 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.194 -0.024 18551 3030 1 9 . 1 1 78 78 LYS C C 78 178.400 178.400 177.478 0.922 18551 3031 1 9 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.544 -0.445 18551 3032 1 9 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.056 0.944 18551 3033 1 9 . 1 1 79 79 CYS N N 79 113.900 113.900 116.574 -2.674 18551 3034 1 9 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.306 -0.216 18551 3035 1 9 . 1 1 79 79 CYS C C 79 174.200 174.200 174.628 -0.428 18551 3036 1 9 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.900 1.800 18551 3037 1 9 . 1 1 79 79 CYS CB C 79 28.000 28.000 29.186 -1.186 18551 3038 1 9 . 1 1 80 80 HIS N N 80 117.000 117.000 117.589 -0.589 18551 3039 1 9 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.886 0.394 18551 3040 1 9 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.637 -1.937 18551 3041 1 9 . 1 1 80 80 HIS CB C 80 28.700 28.700 30.802 -2.102 18551 3042 1 9 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.520 -0.200 18551 3043 1 9 . 1 1 81 81 PRO C C 81 178.100 178.100 176.447 1.653 18551 3044 1 9 . 1 1 81 81 PRO CA C 81 64.700 64.700 62.768 1.932 18551 3045 1 9 . 1 1 81 81 PRO CB C 81 31.500 31.500 30.672 0.828 18551 3046 1 9 . 1 1 82 82 SER N N 82 114.100 114.100 118.959 -4.859 18551 3047 1 9 . 1 1 82 82 SER HA H 82 4.340 4.340 4.130 0.210 18551 3048 1 9 . 1 1 82 82 SER C C 82 174.900 174.900 174.951 -0.051 18551 3049 1 9 . 1 1 82 82 SER CA C 82 59.000 59.000 59.361 -0.361 18551 3050 1 9 . 1 1 82 82 SER CB C 82 63.300 63.300 62.048 1.252 18551 3051 1 9 . 1 1 83 83 GLU N N 83 120.600 120.600 120.052 0.548 18551 3052 1 9 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.037 0.193 18551 3053 1 9 . 1 1 83 83 GLU C C 83 176.300 176.300 176.457 -0.157 18551 3054 1 9 . 1 1 83 83 GLU CA C 83 56.100 56.100 57.262 -1.162 18551 3055 1 9 . 1 1 83 83 GLU CB C 83 29.400 29.400 29.483 -0.083 18551 3056 1 9 . 1 1 84 84 ASN N N 84 119.100 119.100 118.611 0.489 18551 3057 1 9 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.716 -0.006 18551 3058 1 9 . 1 1 84 84 ASN C C 84 174.100 174.100 175.126 -1.026 18551 3059 1 9 . 1 1 84 84 ASN CA C 84 53.200 53.200 52.938 0.262 18551 3060 1 9 . 1 1 84 84 ASN CB C 84 39.000 39.000 37.448 1.552 18551 3061 1 10 . 1 1 11 11 MET HA H 11 4.440 4.440 4.693 -0.253 18551 3062 1 10 . 1 1 11 11 MET C C 11 176.600 176.600 175.604 0.996 18551 3063 1 10 . 1 1 11 11 MET CA C 11 55.600 55.600 54.948 0.652 18551 3064 1 10 . 1 1 11 11 MET CB C 11 32.700 32.700 33.385 -0.685 18551 3065 1 10 . 1 1 12 12 GLY N N 12 110.000 110.000 110.436 -0.436 18551 3066 1 10 . 1 1 12 12 GLY C C 12 173.900 173.900 172.890 1.010 18551 3067 1 10 . 1 1 12 12 GLY CA C 12 45.300 45.300 45.796 -0.496 18551 3068 1 10 . 1 1 13 13 ASP N N 13 120.500 120.500 121.514 -1.014 18551 3069 1 10 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.615 0.025 18551 3070 1 10 . 1 1 13 13 ASP C C 13 176.900 176.900 176.614 0.286 18551 3071 1 10 . 1 1 13 13 ASP CA C 13 54.500 54.500 54.283 0.216 18551 3072 1 10 . 1 1 13 13 ASP CB C 13 41.400 41.400 41.836 -0.436 18551 3073 1 10 . 1 1 14 14 GLY N N 14 109.300 109.300 113.046 -3.746 18551 3074 1 10 . 1 1 14 14 GLY C C 14 174.500 174.500 174.266 0.234 18551 3075 1 10 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.821 0.679 18551 3076 1 10 . 1 1 15 15 GLU N N 15 120.600 120.600 122.213 -1.613 18551 3077 1 10 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.301 -0.021 18551 3078 1 10 . 1 1 15 15 GLU C C 15 177.200 177.200 176.831 0.369 18551 3079 1 10 . 1 1 15 15 GLU CA C 15 56.800 56.800 56.671 0.129 18551 3080 1 10 . 1 1 15 15 GLU CB C 15 30.100 30.100 30.379 -0.279 18551 3081 1 10 . 1 1 16 16 GLY N N 16 109.900 109.900 111.318 -1.418 18551 3082 1 10 . 1 1 16 16 GLY C C 16 174.100 174.100 172.940 1.160 18551 3083 1 10 . 1 1 16 16 GLY CA C 16 45.500 45.500 44.564 0.936 18551 3084 1 10 . 1 1 17 17 ALA N N 17 123.500 123.500 121.778 1.722 18551 3085 1 10 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.453 -0.153 18551 3086 1 10 . 1 1 17 17 ALA C C 17 178.300 178.300 176.093 2.207 18551 3087 1 10 . 1 1 17 17 ALA CA C 17 52.800 52.800 52.020 0.780 18551 3088 1 10 . 1 1 17 17 ALA CB C 17 19.300 19.300 19.846 -0.547 18551 3089 1 10 . 1 1 18 18 GLY N N 18 108.000 108.000 109.439 -1.439 18551 3090 1 10 . 1 1 18 18 GLY C C 18 174.400 174.400 173.569 0.831 18551 3091 1 10 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.828 0.573 18551 3092 1 10 . 1 1 19 19 VAL N N 19 119.100 119.100 116.956 2.144 18551 3093 1 10 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.184 -0.094 18551 3094 1 10 . 1 1 19 19 VAL C C 19 176.400 176.400 176.792 -0.392 18551 3095 1 10 . 1 1 19 19 VAL CA C 19 62.500 62.500 60.996 1.504 18551 3096 1 10 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.260 0.240 18551 3097 1 10 . 1 1 20 20 LEU N N 20 125.100 125.100 121.349 3.751 18551 3098 1 10 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.317 0.013 18551 3099 1 10 . 1 1 20 20 LEU C C 20 177.900 177.900 177.325 0.575 18551 3100 1 10 . 1 1 20 20 LEU CA C 20 55.400 55.400 55.066 0.334 18551 3101 1 10 . 1 1 20 20 LEU CB C 20 42.200 42.200 40.989 1.211 18551 3102 1 10 . 1 1 21 21 GLY N N 21 109.300 109.300 113.191 -3.891 18551 3103 1 10 . 1 1 21 21 GLY C C 21 174.200 174.200 174.161 0.039 18551 3104 1 10 . 1 1 21 21 GLY CA C 21 45.400 45.400 45.014 0.386 18551 3105 1 10 . 1 1 22 22 LEU N N 22 121.600 121.600 123.267 -1.667 18551 3106 1 10 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.244 0.126 18551 3107 1 10 . 1 1 22 22 LEU C C 22 177.600 177.600 177.461 0.139 18551 3108 1 10 . 1 1 22 22 LEU CA C 22 55.200 55.200 56.419 -1.218 18551 3109 1 10 . 1 1 22 22 LEU CB C 22 42.500 42.500 42.604 -0.104 18551 3110 1 10 . 1 1 23 23 SER N N 23 116.500 116.500 114.414 2.086 18551 3111 1 10 . 1 1 23 23 SER HA H 23 4.440 4.440 4.472 -0.032 18551 3112 1 10 . 1 1 23 23 SER C C 23 174.300 174.300 174.662 -0.362 18551 3113 1 10 . 1 1 23 23 SER CA C 23 58.300 58.300 57.615 0.685 18551 3114 1 10 . 1 1 23 23 SER CB C 23 63.800 63.800 62.430 1.370 18551 3115 1 10 . 1 1 24 24 ALA N N 24 126.000 126.000 127.624 -1.624 18551 3116 1 10 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.263 0.087 18551 3117 1 10 . 1 1 24 24 ALA C C 24 177.700 177.700 177.796 -0.096 18551 3118 1 10 . 1 1 24 24 ALA CA C 24 52.700 52.700 53.408 -0.708 18551 3119 1 10 . 1 1 24 24 ALA CB C 24 19.400 19.400 19.254 0.146 18551 3120 1 10 . 1 1 25 25 SER N N 25 114.700 114.700 114.475 0.225 18551 3121 1 10 . 1 1 25 25 SER HA H 25 4.430 4.430 4.315 0.115 18551 3122 1 10 . 1 1 25 25 SER C C 25 174.200 174.200 173.371 0.829 18551 3123 1 10 . 1 1 25 25 SER CA C 25 58.200 58.200 58.824 -0.624 18551 3124 1 10 . 1 1 25 25 SER CB C 25 63.900 63.900 62.454 1.446 18551 3125 1 10 . 1 1 26 26 ALA N N 26 125.900 125.900 127.207 -1.307 18551 3126 1 10 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.757 -0.417 18551 3127 1 10 . 1 1 26 26 ALA C C 26 177.400 177.400 176.477 0.923 18551 3128 1 10 . 1 1 26 26 ALA CA C 26 52.500 52.500 51.130 1.369 18551 3129 1 10 . 1 1 26 26 ALA CB C 26 19.400 19.400 21.268 -1.868 18551 3130 1 10 . 1 1 27 27 GLU N N 27 120.100 120.100 119.078 1.022 18551 3131 1 10 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.573 -0.333 18551 3132 1 10 . 1 1 27 27 GLU C C 27 175.400 175.400 176.580 -1.180 18551 3133 1 10 . 1 1 27 27 GLU CA C 27 56.200 56.200 57.105 -0.905 18551 3134 1 10 . 1 1 27 27 GLU CB C 27 30.700 30.700 31.428 -0.728 18551 3135 1 10 . 1 1 28 28 CYS N N 28 119.400 119.400 115.621 3.779 18551 3136 1 10 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.603 -0.013 18551 3137 1 10 . 1 1 28 28 CYS C C 28 173.000 173.000 174.407 -1.407 18551 3138 1 10 . 1 1 28 28 CYS CA C 28 57.900 57.900 59.459 -1.559 18551 3139 1 10 . 1 1 28 28 CYS CB C 28 28.700 28.700 30.648 -1.948 18551 3140 1 10 . 1 1 29 29 HIS N N 29 124.500 124.500 120.551 3.949 18551 3141 1 10 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.619 0.021 18551 3142 1 10 . 1 1 29 29 HIS C C 29 174.700 174.700 173.645 1.055 18551 3143 1 10 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.657 -1.357 18551 3144 1 10 . 1 1 29 29 HIS CB C 29 32.400 32.400 29.598 2.802 18551 3145 1 10 . 1 1 30 30 LEU N N 30 123.900 123.900 123.898 0.002 18551 3146 1 10 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.222 -0.152 18551 3147 1 10 . 1 1 30 30 LEU C C 30 178.500 178.500 176.831 1.669 18551 3148 1 10 . 1 1 30 30 LEU CA C 30 53.800 53.800 52.701 1.099 18551 3149 1 10 . 1 1 30 30 LEU CB C 30 43.700 43.700 44.280 -0.580 18551 3150 1 10 . 1 1 31 31 CYS N N 31 126.700 126.700 126.129 0.571 18551 3151 1 10 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.615 0.195 18551 3152 1 10 . 1 1 31 31 CYS C C 31 53.800 53.800 175.460 -121.660 18551 3153 1 10 . 1 1 31 31 CYS CA C 31 57.100 57.100 57.341 -0.241 18551 3154 1 10 . 1 1 31 31 CYS CB C 31 30.300 30.300 27.150 3.150 18551 3155 1 10 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.175 0.285 18551 3156 1 10 . 1 1 32 32 PRO C C 32 176.000 176.000 176.422 -0.422 18551 3157 1 10 . 1 1 32 32 PRO CA C 32 64.000 64.000 64.933 -0.933 18551 3158 1 10 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.544 0.656 18551 3159 1 10 . 1 1 33 33 VAL N N 33 122.000 122.000 113.572 8.428 18551 3160 1 10 . 1 1 33 33 VAL HA H 33 3.810 3.810 3.863 -0.053 18551 3161 1 10 . 1 1 33 33 VAL C C 33 176.700 176.700 175.417 1.283 18551 3162 1 10 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.544 2.256 18551 3163 1 10 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.068 0.632 18551 3164 1 10 . 1 1 34 34 CYS N N 34 117.100 117.100 116.872 0.228 18551 3165 1 10 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.759 0.411 18551 3166 1 10 . 1 1 34 34 CYS C C 34 176.800 176.800 174.797 2.003 18551 3167 1 10 . 1 1 34 34 CYS CA C 34 58.500 58.500 57.148 1.352 18551 3168 1 10 . 1 1 34 34 CYS CB C 34 32.700 32.700 29.770 2.930 18551 3169 1 10 . 1 1 35 35 GLY N N 35 112.500 112.500 109.931 2.569 18551 3170 1 10 . 1 1 35 35 GLY C C 35 173.200 173.200 173.678 -0.478 18551 3171 1 10 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.594 -0.194 18551 3172 1 10 . 1 1 36 36 GLU N N 36 122.500 122.500 124.595 -2.095 18551 3173 1 10 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.286 -0.296 18551 3174 1 10 . 1 1 36 36 GLU C C 36 173.800 173.800 174.739 -0.939 18551 3175 1 10 . 1 1 36 36 GLU CA C 36 57.900 57.900 54.939 2.961 18551 3176 1 10 . 1 1 36 36 GLU CB C 36 30.500 30.500 32.374 -1.874 18551 3177 1 10 . 1 1 37 37 SER N N 37 116.300 116.300 121.000 -4.700 18551 3178 1 10 . 1 1 37 37 SER HA H 37 4.820 4.820 4.321 0.499 18551 3179 1 10 . 1 1 37 37 SER C C 37 173.300 173.300 173.773 -0.473 18551 3180 1 10 . 1 1 37 37 SER CA C 37 57.200 57.200 59.456 -2.256 18551 3181 1 10 . 1 1 37 37 SER CB C 37 65.300 65.300 63.043 2.257 18551 3182 1 10 . 1 1 38 38 PHE N N 38 120.000 120.000 123.761 -3.761 18551 3183 1 10 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.771 -0.121 18551 3184 1 10 . 1 1 38 38 PHE CA C 38 57.400 57.400 56.844 0.556 18551 3185 1 10 . 1 1 38 38 PHE CB C 38 44.000 44.000 42.643 1.357 18551 3186 1 10 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.382 0.208 18551 3187 1 10 . 1 1 39 39 ALA C C 39 176.700 176.700 176.629 0.071 18551 3188 1 10 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.544 -0.844 18551 3189 1 10 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.465 -0.066 18551 3190 1 10 . 1 1 40 40 SER N N 40 107.500 107.500 112.322 -4.822 18551 3191 1 10 . 1 1 40 40 SER HA H 40 4.560 4.560 4.515 0.045 18551 3192 1 10 . 1 1 40 40 SER C C 40 173.400 173.400 175.168 -1.768 18551 3193 1 10 . 1 1 40 40 SER CA C 40 56.100 56.100 57.278 -1.178 18551 3194 1 10 . 1 1 40 40 SER CB C 40 66.400 66.400 65.392 1.008 18551 3195 1 10 . 1 1 41 41 LYS N N 41 124.400 124.400 125.389 -0.989 18551 3196 1 10 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.566 -0.126 18551 3197 1 10 . 1 1 41 41 LYS C C 41 178.600 178.600 178.613 -0.013 18551 3198 1 10 . 1 1 41 41 LYS CA C 41 58.200 58.200 59.129 -0.929 18551 3199 1 10 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.275 -0.175 18551 3200 1 10 . 1 1 42 42 GLY N N 42 105.900 105.900 106.548 -0.648 18551 3201 1 10 . 1 1 42 42 GLY C C 42 176.700 176.700 175.934 0.766 18551 3202 1 10 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.427 0.473 18551 3203 1 10 . 1 1 43 43 ALA N N 43 123.500 123.500 123.424 0.076 18551 3204 1 10 . 1 1 43 43 ALA HA H 43 4.050 4.050 3.973 0.077 18551 3205 1 10 . 1 1 43 43 ALA C C 43 179.700 179.700 178.787 0.913 18551 3206 1 10 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.271 0.429 18551 3207 1 10 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.212 0.588 18551 3208 1 10 . 1 1 44 44 GLN N N 44 121.800 121.800 118.553 3.247 18551 3209 1 10 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.422 -0.822 18551 3210 1 10 . 1 1 44 44 GLN C C 44 177.500 177.500 177.957 -0.457 18551 3211 1 10 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.666 0.734 18551 3212 1 10 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.477 -0.877 18551 3213 1 10 . 1 1 45 45 GLU N N 45 120.200 120.200 118.628 1.572 18551 3214 1 10 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.000 -0.230 18551 3215 1 10 . 1 1 45 45 GLU C C 45 179.000 179.000 178.692 0.308 18551 3216 1 10 . 1 1 45 45 GLU CA C 45 59.900 59.900 58.849 1.051 18551 3217 1 10 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.449 -0.049 18551 3218 1 10 . 1 1 46 46 ARG N N 46 119.900 119.900 118.008 1.892 18551 3219 1 10 . 1 1 46 46 ARG HA H 46 3.900 3.900 4.015 -0.115 18551 3220 1 10 . 1 1 46 46 ARG C C 46 177.800 177.800 178.341 -0.541 18551 3221 1 10 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.045 0.555 18551 3222 1 10 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.510 0.590 18551 3223 1 10 . 1 1 47 47 HIS N N 47 118.200 118.200 119.930 -1.730 18551 3224 1 10 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.389 -0.249 18551 3225 1 10 . 1 1 47 47 HIS C C 47 176.300 176.300 177.156 -0.856 18551 3226 1 10 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.663 -0.063 18551 3227 1 10 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.668 -2.768 18551 3228 1 10 . 1 1 48 48 LEU N N 48 120.000 120.000 118.645 1.355 18551 3229 1 10 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.170 -0.360 18551 3230 1 10 . 1 1 48 48 LEU C C 48 178.500 178.500 178.855 -0.355 18551 3231 1 10 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.802 1.398 18551 3232 1 10 . 1 1 48 48 LEU CB C 48 42.700 42.700 41.925 0.775 18551 3233 1 10 . 1 1 49 49 ARG N N 49 115.400 115.400 118.442 -3.042 18551 3234 1 10 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.135 -0.235 18551 3235 1 10 . 1 1 49 49 ARG C C 49 177.600 177.600 178.033 -0.433 18551 3236 1 10 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.868 -0.168 18551 3237 1 10 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.709 -0.209 18551 3238 1 10 . 1 1 50 50 LEU N N 50 117.200 117.200 117.315 -0.115 18551 3239 1 10 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.303 -0.103 18551 3240 1 10 . 1 1 50 50 LEU C C 50 179.000 179.000 178.467 0.533 18551 3241 1 10 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.673 0.127 18551 3242 1 10 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.691 0.009 18551 3243 1 10 . 1 1 51 51 LEU N N 51 117.800 117.800 116.392 1.408 18551 3244 1 10 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.189 0.081 18551 3245 1 10 . 1 1 51 51 LEU C C 51 178.100 178.100 177.598 0.502 18551 3246 1 10 . 1 1 51 51 LEU CA C 51 55.000 55.000 55.462 -0.462 18551 3247 1 10 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.519 -1.319 18551 3248 1 10 . 1 1 52 52 HIS N N 52 115.300 115.300 116.052 -0.752 18551 3249 1 10 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.633 0.727 18551 3250 1 10 . 1 1 52 52 HIS C C 52 175.000 175.000 173.969 1.031 18551 3251 1 10 . 1 1 52 52 HIS CA C 52 52.800 52.800 55.072 -2.272 18551 3252 1 10 . 1 1 52 52 HIS CB C 52 28.900 28.900 31.074 -2.174 18551 3253 1 10 . 1 1 53 53 ALA N N 53 122.100 122.100 123.172 -1.072 18551 3254 1 10 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.414 -0.344 18551 3255 1 10 . 1 1 53 53 ALA C C 53 178.300 178.300 176.334 1.966 18551 3256 1 10 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.900 1.700 18551 3257 1 10 . 1 1 53 53 ALA CB C 53 18.600 18.600 17.229 1.371 18551 3258 1 10 . 1 1 54 54 ALA N N 54 118.200 118.200 125.827 -7.627 18551 3259 1 10 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.185 0.105 18551 3260 1 10 . 1 1 54 54 ALA C C 54 177.700 177.700 178.039 -0.339 18551 3261 1 10 . 1 1 54 54 ALA CA C 54 52.800 52.800 52.938 -0.138 18551 3262 1 10 . 1 1 54 54 ALA CB C 54 19.000 19.000 19.552 -0.551 18551 3263 1 10 . 1 1 55 55 GLN N N 55 118.200 118.200 118.030 0.170 18551 3264 1 10 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.330 0.050 18551 3265 1 10 . 1 1 55 55 GLN C C 55 173.700 173.700 174.919 -1.219 18551 3266 1 10 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.085 0.415 18551 3267 1 10 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.717 0.583 18551 3268 1 10 . 1 1 56 56 VAL N N 56 115.300 115.300 113.868 1.432 18551 3269 1 10 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.601 -0.191 18551 3270 1 10 . 1 1 56 56 VAL C C 56 174.500 174.500 173.897 0.603 18551 3271 1 10 . 1 1 56 56 VAL CA C 56 60.900 60.900 59.667 1.233 18551 3272 1 10 . 1 1 56 56 VAL CB C 56 33.900 33.900 32.862 1.038 18551 3273 1 10 . 1 1 57 57 PHE N N 57 122.700 122.700 121.389 1.311 18551 3274 1 10 . 1 1 57 57 PHE HA H 57 4.830 4.830 4.992 -0.162 18551 3275 1 10 . 1 1 57 57 PHE CA C 57 55.200 55.200 54.863 0.337 18551 3276 1 10 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.286 -0.286 18551 3277 1 10 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.860 -0.140 18551 3278 1 10 . 1 1 58 58 PRO C C 58 175.700 175.700 176.554 -0.854 18551 3279 1 10 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.216 -0.116 18551 3280 1 10 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.054 1.246 18551 3281 1 10 . 1 1 59 59 CYS N N 59 125.200 125.200 127.074 -1.874 18551 3282 1 10 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.440 -0.020 18551 3283 1 10 . 1 1 59 59 CYS C C 59 176.300 176.300 176.518 -0.218 18551 3284 1 10 . 1 1 59 59 CYS CA C 59 60.800 60.800 58.831 1.969 18551 3285 1 10 . 1 1 59 59 CYS CB C 59 29.500 29.500 28.144 1.356 18551 3286 1 10 . 1 1 60 60 LYS N N 60 126.400 126.400 128.615 -2.215 18551 3287 1 10 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.856 0.304 18551 3288 1 10 . 1 1 60 60 LYS C C 60 176.800 176.800 176.115 0.685 18551 3289 1 10 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.912 -1.812 18551 3290 1 10 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.470 0.930 18551 3291 1 10 . 1 1 61 61 TYR N N 61 121.900 121.900 116.795 5.105 18551 3292 1 10 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.373 0.137 18551 3293 1 10 . 1 1 61 61 TYR C C 61 174.300 174.300 175.738 -1.438 18551 3294 1 10 . 1 1 61 61 TYR CA C 61 57.700 57.700 57.412 0.288 18551 3295 1 10 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.207 -0.207 18551 3296 1 10 . 1 1 62 62 CYS N N 62 122.800 122.800 116.341 6.459 18551 3297 1 10 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.917 0.153 18551 3298 1 10 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.373 2.827 18551 3299 1 10 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.005 0.596 18551 3300 1 10 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.261 0.309 18551 3301 1 10 . 1 1 63 63 PRO C C 63 176.500 176.500 176.920 -0.420 18551 3302 1 10 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.395 0.705 18551 3303 1 10 . 1 1 63 63 PRO CB C 63 31.900 31.900 31.802 0.098 18551 3304 1 10 . 1 1 64 64 ALA N N 64 125.400 125.400 124.482 0.918 18551 3305 1 10 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.013 0.017 18551 3306 1 10 . 1 1 64 64 ALA C C 64 176.100 176.100 175.927 0.173 18551 3307 1 10 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.883 2.017 18551 3308 1 10 . 1 1 64 64 ALA CB C 64 20.200 20.200 18.163 2.037 18551 3309 1 10 . 1 1 65 65 THR N N 65 113.200 113.200 119.651 -6.451 18551 3310 1 10 . 1 1 65 65 THR HA H 65 4.440 4.440 4.279 0.161 18551 3311 1 10 . 1 1 65 65 THR C C 65 171.400 171.400 173.686 -2.286 18551 3312 1 10 . 1 1 65 65 THR CA C 65 61.400 61.400 62.272 -0.872 18551 3313 1 10 . 1 1 65 65 THR CB C 65 71.600 71.600 69.006 2.594 18551 3314 1 10 . 1 1 66 66 PHE N N 66 120.900 120.900 126.079 -5.179 18551 3315 1 10 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.489 -0.069 18551 3316 1 10 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.972 0.228 18551 3317 1 10 . 1 1 66 66 PHE CB C 66 42.700 42.700 40.932 1.768 18551 3318 1 10 . 1 1 67 67 TYR HA H 67 5.280 5.280 5.042 0.238 18551 3319 1 10 . 1 1 67 67 TYR C C 67 174.800 174.800 175.357 -0.557 18551 3320 1 10 . 1 1 67 67 TYR CA C 67 57.800 57.800 57.105 0.695 18551 3321 1 10 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.883 -0.383 18551 3322 1 10 . 1 1 68 68 SER N N 68 112.800 112.800 114.926 -2.126 18551 3323 1 10 . 1 1 68 68 SER HA H 68 4.440 4.440 4.659 -0.219 18551 3324 1 10 . 1 1 68 68 SER C C 68 172.200 172.200 174.019 -1.819 18551 3325 1 10 . 1 1 68 68 SER CA C 68 57.000 57.000 56.741 0.259 18551 3326 1 10 . 1 1 68 68 SER CB C 68 66.400 66.400 66.547 -0.147 18551 3327 1 10 . 1 1 69 69 SER N N 69 117.800 117.800 118.711 -0.911 18551 3328 1 10 . 1 1 69 69 SER HA H 69 3.630 3.630 3.599 0.031 18551 3329 1 10 . 1 1 69 69 SER CA C 69 61.900 61.900 61.980 -0.080 18551 3330 1 10 . 1 1 69 69 SER CB C 69 60.900 60.900 61.074 -0.174 18551 3331 1 10 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.128 0.132 18551 3332 1 10 . 1 1 70 70 PRO C C 70 179.000 179.000 178.556 0.444 18551 3333 1 10 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.614 0.086 18551 3334 1 10 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.191 -0.191 18551 3335 1 10 . 1 1 71 71 GLY N N 71 105.000 105.000 105.988 -0.988 18551 3336 1 10 . 1 1 71 71 GLY C C 71 175.700 175.700 175.686 0.014 18551 3337 1 10 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.397 0.303 18551 3338 1 10 . 1 1 72 72 LEU N N 72 123.600 123.600 122.397 1.203 18551 3339 1 10 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.976 -0.486 18551 3340 1 10 . 1 1 72 72 LEU C C 72 177.900 177.900 178.869 -0.969 18551 3341 1 10 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.540 0.260 18551 3342 1 10 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.788 -1.488 18551 3343 1 10 . 1 1 73 73 THR N N 73 117.100 117.100 114.174 2.926 18551 3344 1 10 . 1 1 73 73 THR HA H 73 3.710 3.710 4.012 -0.302 18551 3345 1 10 . 1 1 73 73 THR C C 73 176.100 176.100 176.508 -0.408 18551 3346 1 10 . 1 1 73 73 THR CA C 73 67.300 67.300 66.689 0.611 18551 3347 1 10 . 1 1 73 73 THR CB C 73 68.700 68.700 68.423 0.277 18551 3348 1 10 . 1 1 74 74 ARG N N 74 120.200 120.200 122.439 -2.239 18551 3349 1 10 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.907 0.073 18551 3350 1 10 . 1 1 74 74 ARG C C 74 178.500 178.500 178.162 0.338 18551 3351 1 10 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.992 -0.392 18551 3352 1 10 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.895 0.205 18551 3353 1 10 . 1 1 75 75 HIS N N 75 118.700 118.700 118.024 0.676 18551 3354 1 10 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.423 -0.153 18551 3355 1 10 . 1 1 75 75 HIS C C 75 176.900 176.900 177.904 -1.004 18551 3356 1 10 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.292 0.308 18551 3357 1 10 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.172 -1.272 18551 3358 1 10 . 1 1 76 76 ILE N N 76 121.600 121.600 121.075 0.525 18551 3359 1 10 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.981 -0.561 18551 3360 1 10 . 1 1 76 76 ILE C C 76 177.800 177.800 178.323 -0.523 18551 3361 1 10 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.191 1.109 18551 3362 1 10 . 1 1 76 76 ILE CB C 76 38.000 38.000 38.163 -0.164 18551 3363 1 10 . 1 1 77 77 ASN N N 77 115.900 115.900 117.467 -1.567 18551 3364 1 10 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.505 -0.235 18551 3365 1 10 . 1 1 77 77 ASN C C 77 176.400 176.400 176.586 -0.186 18551 3366 1 10 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.368 0.432 18551 3367 1 10 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.620 -0.220 18551 3368 1 10 . 1 1 78 78 LYS N N 78 116.200 116.200 119.781 -3.581 18551 3369 1 10 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.270 -0.100 18551 3370 1 10 . 1 1 78 78 LYS C C 78 178.400 178.400 176.531 1.869 18551 3371 1 10 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.076 0.024 18551 3372 1 10 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.263 0.737 18551 3373 1 10 . 1 1 79 79 CYS N N 79 113.900 113.900 116.097 -2.197 18551 3374 1 10 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.433 -0.343 18551 3375 1 10 . 1 1 79 79 CYS C C 79 174.200 174.200 173.786 0.414 18551 3376 1 10 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.964 1.736 18551 3377 1 10 . 1 1 79 79 CYS CB C 79 28.000 28.000 29.255 -1.255 18551 3378 1 10 . 1 1 80 80 HIS N N 80 117.000 117.000 119.593 -2.593 18551 3379 1 10 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.876 0.404 18551 3380 1 10 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.768 -2.068 18551 3381 1 10 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.178 -2.478 18551 3382 1 10 . 1 1 81 81 PRO HA H 81 4.320 4.320 5.006 -0.686 18551 3383 1 10 . 1 1 81 81 PRO C C 81 178.100 178.100 177.762 0.338 18551 3384 1 10 . 1 1 81 81 PRO CA C 81 64.700 64.700 62.538 2.162 18551 3385 1 10 . 1 1 81 81 PRO CB C 81 31.500 31.500 33.275 -1.774 18551 3386 1 10 . 1 1 82 82 SER N N 82 114.100 114.100 112.494 1.606 18551 3387 1 10 . 1 1 82 82 SER HA H 82 4.340 4.340 4.210 0.130 18551 3388 1 10 . 1 1 82 82 SER C C 82 174.900 174.900 173.827 1.073 18551 3389 1 10 . 1 1 82 82 SER CA C 82 59.000 59.000 59.468 -0.468 18551 3390 1 10 . 1 1 82 82 SER CB C 82 63.300 63.300 62.960 0.340 18551 3391 1 10 . 1 1 83 83 GLU N N 83 120.600 120.600 119.536 1.064 18551 3392 1 10 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.722 -0.492 18551 3393 1 10 . 1 1 83 83 GLU C C 83 176.300 176.300 175.934 0.366 18551 3394 1 10 . 1 1 83 83 GLU CA C 83 56.100 56.100 55.404 0.696 18551 3395 1 10 . 1 1 83 83 GLU CB C 83 29.400 29.400 29.812 -0.412 18551 3396 1 10 . 1 1 84 84 ASN N N 84 119.100 119.100 118.470 0.630 18551 3397 1 10 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.716 -0.006 18551 3398 1 10 . 1 1 84 84 ASN C C 84 174.100 174.100 175.307 -1.207 18551 3399 1 10 . 1 1 84 84 ASN CA C 84 53.200 53.200 54.373 -1.173 18551 3400 1 10 . 1 1 84 84 ASN CB C 84 39.000 39.000 38.914 0.086 18551 3401 1 11 . 1 1 11 11 MET HA H 11 4.440 4.440 4.797 -0.357 18551 3402 1 11 . 1 1 11 11 MET C C 11 176.600 176.600 175.008 1.592 18551 3403 1 11 . 1 1 11 11 MET CA C 11 55.600 55.600 55.305 0.295 18551 3404 1 11 . 1 1 11 11 MET CB C 11 32.700 32.700 33.495 -0.795 18551 3405 1 11 . 1 1 12 12 GLY N N 12 110.000 110.000 112.433 -2.433 18551 3406 1 11 . 1 1 12 12 GLY C C 12 173.900 173.900 172.571 1.329 18551 3407 1 11 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.817 0.483 18551 3408 1 11 . 1 1 13 13 ASP N N 13 120.500 120.500 119.418 1.082 18551 3409 1 11 . 1 1 13 13 ASP HA H 13 4.640 4.640 5.365 -0.725 18551 3410 1 11 . 1 1 13 13 ASP C C 13 176.900 176.900 175.598 1.302 18551 3411 1 11 . 1 1 13 13 ASP CA C 13 54.500 54.500 52.984 1.516 18551 3412 1 11 . 1 1 13 13 ASP CB C 13 41.400 41.400 43.072 -1.673 18551 3413 1 11 . 1 1 14 14 GLY N N 14 109.300 109.300 108.389 0.911 18551 3414 1 11 . 1 1 14 14 GLY C C 14 174.500 174.500 173.379 1.121 18551 3415 1 11 . 1 1 14 14 GLY CA C 14 45.500 45.500 45.129 0.371 18551 3416 1 11 . 1 1 15 15 GLU N N 15 120.600 120.600 120.244 0.356 18551 3417 1 11 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.701 -0.421 18551 3418 1 11 . 1 1 15 15 GLU C C 15 177.200 177.200 176.976 0.224 18551 3419 1 11 . 1 1 15 15 GLU CA C 15 56.800 56.800 55.949 0.851 18551 3420 1 11 . 1 1 15 15 GLU CB C 15 30.100 30.100 30.885 -0.785 18551 3421 1 11 . 1 1 16 16 GLY N N 16 109.900 109.900 107.703 2.197 18551 3422 1 11 . 1 1 16 16 GLY C C 16 174.100 174.100 173.156 0.944 18551 3423 1 11 . 1 1 16 16 GLY CA C 16 45.500 45.500 44.617 0.883 18551 3424 1 11 . 1 1 17 17 ALA N N 17 123.500 123.500 121.819 1.681 18551 3425 1 11 . 1 1 17 17 ALA HA H 17 4.300 4.300 5.265 -0.965 18551 3426 1 11 . 1 1 17 17 ALA C C 17 178.300 178.300 176.973 1.327 18551 3427 1 11 . 1 1 17 17 ALA CA C 17 52.800 52.800 51.798 1.002 18551 3428 1 11 . 1 1 17 17 ALA CB C 17 19.300 19.300 21.268 -1.968 18551 3429 1 11 . 1 1 18 18 GLY N N 18 108.000 108.000 110.356 -2.356 18551 3430 1 11 . 1 1 18 18 GLY C C 18 174.400 174.400 173.461 0.939 18551 3431 1 11 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.806 0.594 18551 3432 1 11 . 1 1 19 19 VAL N N 19 119.100 119.100 121.387 -2.287 18551 3433 1 11 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.565 -0.475 18551 3434 1 11 . 1 1 19 19 VAL C C 19 176.400 176.400 175.315 1.085 18551 3435 1 11 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.184 1.316 18551 3436 1 11 . 1 1 19 19 VAL CB C 19 32.500 32.500 34.395 -1.895 18551 3437 1 11 . 1 1 20 20 LEU N N 20 125.100 125.100 122.826 2.274 18551 3438 1 11 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.540 -0.210 18551 3439 1 11 . 1 1 20 20 LEU C C 20 177.900 177.900 177.424 0.476 18551 3440 1 11 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.534 0.866 18551 3441 1 11 . 1 1 20 20 LEU CB C 20 42.200 42.200 42.084 0.116 18551 3442 1 11 . 1 1 21 21 GLY N N 21 109.300 109.300 112.179 -2.879 18551 3443 1 11 . 1 1 21 21 GLY C C 21 174.200 174.200 173.483 0.717 18551 3444 1 11 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.403 0.997 18551 3445 1 11 . 1 1 22 22 LEU N N 22 121.600 121.600 125.095 -3.495 18551 3446 1 11 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.367 0.003 18551 3447 1 11 . 1 1 22 22 LEU C C 22 177.600 177.600 177.083 0.517 18551 3448 1 11 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.895 0.305 18551 3449 1 11 . 1 1 22 22 LEU CB C 22 42.500 42.500 42.149 0.351 18551 3450 1 11 . 1 1 23 23 SER N N 23 116.500 116.500 120.583 -4.083 18551 3451 1 11 . 1 1 23 23 SER HA H 23 4.440 4.440 4.512 -0.072 18551 3452 1 11 . 1 1 23 23 SER C C 23 174.300 174.300 174.446 -0.146 18551 3453 1 11 . 1 1 23 23 SER CA C 23 58.300 58.300 56.794 1.506 18551 3454 1 11 . 1 1 23 23 SER CB C 23 63.800 63.800 62.719 1.081 18551 3455 1 11 . 1 1 24 24 ALA N N 24 126.000 126.000 129.143 -3.143 18551 3456 1 11 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.184 0.166 18551 3457 1 11 . 1 1 24 24 ALA C C 24 177.700 177.700 178.274 -0.574 18551 3458 1 11 . 1 1 24 24 ALA CA C 24 52.700 52.700 53.695 -0.995 18551 3459 1 11 . 1 1 24 24 ALA CB C 24 19.400 19.400 18.972 0.428 18551 3460 1 11 . 1 1 25 25 SER N N 25 114.700 114.700 116.169 -1.469 18551 3461 1 11 . 1 1 25 25 SER HA H 25 4.430 4.430 4.426 0.004 18551 3462 1 11 . 1 1 25 25 SER C C 25 174.200 174.200 172.996 1.204 18551 3463 1 11 . 1 1 25 25 SER CA C 25 58.200 58.200 57.528 0.673 18551 3464 1 11 . 1 1 25 25 SER CB C 25 63.900 63.900 61.878 2.022 18551 3465 1 11 . 1 1 26 26 ALA N N 26 125.900 125.900 127.506 -1.606 18551 3466 1 11 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.387 -0.047 18551 3467 1 11 . 1 1 26 26 ALA C C 26 177.400 177.400 176.579 0.821 18551 3468 1 11 . 1 1 26 26 ALA CA C 26 52.500 52.500 51.847 0.653 18551 3469 1 11 . 1 1 26 26 ALA CB C 26 19.400 19.400 18.540 0.860 18551 3470 1 11 . 1 1 27 27 GLU N N 27 120.100 120.100 124.380 -4.280 18551 3471 1 11 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.380 -0.140 18551 3472 1 11 . 1 1 27 27 GLU C C 27 175.400 175.400 174.738 0.662 18551 3473 1 11 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.160 0.040 18551 3474 1 11 . 1 1 27 27 GLU CB C 27 30.700 30.700 31.500 -0.799 18551 3475 1 11 . 1 1 28 28 CYS N N 28 119.400 119.400 118.566 0.834 18551 3476 1 11 . 1 1 28 28 CYS HA H 28 4.590 4.590 3.981 0.609 18551 3477 1 11 . 1 1 28 28 CYS C C 28 173.000 173.000 173.735 -0.735 18551 3478 1 11 . 1 1 28 28 CYS CA C 28 57.900 57.900 60.149 -2.249 18551 3479 1 11 . 1 1 28 28 CYS CB C 28 28.700 28.700 28.334 0.366 18551 3480 1 11 . 1 1 29 29 HIS N N 29 124.500 124.500 120.326 4.174 18551 3481 1 11 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.583 0.057 18551 3482 1 11 . 1 1 29 29 HIS C C 29 174.700 174.700 174.978 -0.278 18551 3483 1 11 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.591 -1.291 18551 3484 1 11 . 1 1 29 29 HIS CB C 29 32.400 32.400 29.698 2.702 18551 3485 1 11 . 1 1 30 30 LEU N N 30 123.900 123.900 124.105 -0.205 18551 3486 1 11 . 1 1 30 30 LEU HA H 30 5.070 5.070 4.778 0.292 18551 3487 1 11 . 1 1 30 30 LEU C C 30 178.500 178.500 177.072 1.428 18551 3488 1 11 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.765 0.035 18551 3489 1 11 . 1 1 30 30 LEU CB C 30 43.700 43.700 43.493 0.207 18551 3490 1 11 . 1 1 31 31 CYS N N 31 126.700 126.700 124.028 2.672 18551 3491 1 11 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.577 0.233 18551 3492 1 11 . 1 1 31 31 CYS C C 31 53.800 53.800 175.268 -121.468 18551 3493 1 11 . 1 1 31 31 CYS CA C 31 57.100 57.100 57.286 -0.186 18551 3494 1 11 . 1 1 31 31 CYS CB C 31 30.300 30.300 27.250 3.050 18551 3495 1 11 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.353 0.107 18551 3496 1 11 . 1 1 32 32 PRO C C 32 176.000 176.000 175.995 0.005 18551 3497 1 11 . 1 1 32 32 PRO CA C 32 64.000 64.000 64.615 -0.615 18551 3498 1 11 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.178 1.022 18551 3499 1 11 . 1 1 33 33 VAL N N 33 122.000 122.000 114.638 7.362 18551 3500 1 11 . 1 1 33 33 VAL HA H 33 3.810 3.810 4.240 -0.430 18551 3501 1 11 . 1 1 33 33 VAL C C 33 176.700 176.700 176.202 0.498 18551 3502 1 11 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.737 2.063 18551 3503 1 11 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.472 0.228 18551 3504 1 11 . 1 1 34 34 CYS N N 34 117.100 117.100 118.405 -1.305 18551 3505 1 11 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.930 0.240 18551 3506 1 11 . 1 1 34 34 CYS C C 34 176.800 176.800 175.157 1.643 18551 3507 1 11 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.577 1.923 18551 3508 1 11 . 1 1 34 34 CYS CB C 34 32.700 32.700 30.217 2.483 18551 3509 1 11 . 1 1 35 35 GLY N N 35 112.500 112.500 110.706 1.794 18551 3510 1 11 . 1 1 35 35 GLY C C 35 173.200 173.200 173.280 -0.080 18551 3511 1 11 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.321 0.079 18551 3512 1 11 . 1 1 36 36 GLU N N 36 122.500 122.500 124.235 -1.735 18551 3513 1 11 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.150 -0.160 18551 3514 1 11 . 1 1 36 36 GLU C C 36 173.800 173.800 174.587 -0.787 18551 3515 1 11 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.510 2.390 18551 3516 1 11 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.172 -0.672 18551 3517 1 11 . 1 1 37 37 SER N N 37 116.300 116.300 120.858 -4.558 18551 3518 1 11 . 1 1 37 37 SER HA H 37 4.820 4.820 4.392 0.428 18551 3519 1 11 . 1 1 37 37 SER C C 37 173.300 173.300 173.410 -0.110 18551 3520 1 11 . 1 1 37 37 SER CA C 37 57.200 57.200 58.665 -1.465 18551 3521 1 11 . 1 1 37 37 SER CB C 37 65.300 65.300 63.650 1.650 18551 3522 1 11 . 1 1 38 38 PHE N N 38 120.000 120.000 122.301 -2.301 18551 3523 1 11 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.666 -0.016 18551 3524 1 11 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.713 -0.313 18551 3525 1 11 . 1 1 38 38 PHE CB C 38 44.000 44.000 42.558 1.442 18551 3526 1 11 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.191 0.399 18551 3527 1 11 . 1 1 39 39 ALA C C 39 176.700 176.700 178.166 -1.466 18551 3528 1 11 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.766 -1.066 18551 3529 1 11 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.029 0.371 18551 3530 1 11 . 1 1 40 40 SER N N 40 107.500 107.500 114.587 -7.087 18551 3531 1 11 . 1 1 40 40 SER HA H 40 4.560 4.560 4.589 -0.029 18551 3532 1 11 . 1 1 40 40 SER C C 40 173.400 173.400 175.411 -2.011 18551 3533 1 11 . 1 1 40 40 SER CA C 40 56.100 56.100 56.944 -0.844 18551 3534 1 11 . 1 1 40 40 SER CB C 40 66.400 66.400 64.018 2.382 18551 3535 1 11 . 1 1 41 41 LYS N N 41 124.400 124.400 128.368 -3.968 18551 3536 1 11 . 1 1 41 41 LYS HA H 41 3.440 3.440 4.077 -0.637 18551 3537 1 11 . 1 1 41 41 LYS C C 41 178.600 178.600 177.969 0.631 18551 3538 1 11 . 1 1 41 41 LYS CA C 41 58.200 58.200 59.092 -0.892 18551 3539 1 11 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.378 -0.278 18551 3540 1 11 . 1 1 42 42 GLY N N 42 105.900 105.900 105.774 0.126 18551 3541 1 11 . 1 1 42 42 GLY C C 42 176.700 176.700 175.393 1.307 18551 3542 1 11 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.666 0.234 18551 3543 1 11 . 1 1 43 43 ALA N N 43 123.500 123.500 123.018 0.482 18551 3544 1 11 . 1 1 43 43 ALA HA H 43 4.050 4.050 3.884 0.166 18551 3545 1 11 . 1 1 43 43 ALA C C 43 179.700 179.700 178.737 0.963 18551 3546 1 11 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.319 0.381 18551 3547 1 11 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.193 0.607 18551 3548 1 11 . 1 1 44 44 GLN N N 44 121.800 121.800 118.654 3.146 18551 3549 1 11 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.616 -1.016 18551 3550 1 11 . 1 1 44 44 GLN C C 44 177.500 177.500 177.962 -0.462 18551 3551 1 11 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.676 0.724 18551 3552 1 11 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.553 -0.953 18551 3553 1 11 . 1 1 45 45 GLU N N 45 120.200 120.200 119.193 1.007 18551 3554 1 11 . 1 1 45 45 GLU HA H 45 3.770 3.770 3.913 -0.143 18551 3555 1 11 . 1 1 45 45 GLU C C 45 179.000 179.000 179.010 -0.010 18551 3556 1 11 . 1 1 45 45 GLU CA C 45 59.900 59.900 59.262 0.638 18551 3557 1 11 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.441 -0.041 18551 3558 1 11 . 1 1 46 46 ARG N N 46 119.900 119.900 117.173 2.727 18551 3559 1 11 . 1 1 46 46 ARG HA H 46 3.900 3.900 4.009 -0.109 18551 3560 1 11 . 1 1 46 46 ARG C C 46 177.800 177.800 178.325 -0.525 18551 3561 1 11 . 1 1 46 46 ARG CA C 46 59.600 59.600 58.871 0.729 18551 3562 1 11 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.562 0.538 18551 3563 1 11 . 1 1 47 47 HIS N N 47 118.200 118.200 120.410 -2.210 18551 3564 1 11 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.380 -0.240 18551 3565 1 11 . 1 1 47 47 HIS C C 47 176.300 176.300 177.117 -0.817 18551 3566 1 11 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.683 -0.083 18551 3567 1 11 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.737 -2.837 18551 3568 1 11 . 1 1 48 48 LEU N N 48 120.000 120.000 118.606 1.394 18551 3569 1 11 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.090 -0.280 18551 3570 1 11 . 1 1 48 48 LEU C C 48 178.500 178.500 178.982 -0.482 18551 3571 1 11 . 1 1 48 48 LEU CA C 48 59.200 59.200 58.007 1.194 18551 3572 1 11 . 1 1 48 48 LEU CB C 48 42.700 42.700 41.733 0.967 18551 3573 1 11 . 1 1 49 49 ARG N N 49 115.400 115.400 117.213 -1.813 18551 3574 1 11 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.158 -0.258 18551 3575 1 11 . 1 1 49 49 ARG C C 49 177.600 177.600 177.676 -0.076 18551 3576 1 11 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.246 0.454 18551 3577 1 11 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.607 -0.107 18551 3578 1 11 . 1 1 50 50 LEU N N 50 117.200 117.200 117.300 -0.100 18551 3579 1 11 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.389 -0.189 18551 3580 1 11 . 1 1 50 50 LEU C C 50 179.000 179.000 178.783 0.217 18551 3581 1 11 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.285 0.515 18551 3582 1 11 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.701 -0.001 18551 3583 1 11 . 1 1 51 51 LEU N N 51 117.800 117.800 116.980 0.820 18551 3584 1 11 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.072 0.198 18551 3585 1 11 . 1 1 51 51 LEU C C 51 178.100 178.100 177.457 0.643 18551 3586 1 11 . 1 1 51 51 LEU CA C 51 55.000 55.000 55.939 -0.939 18551 3587 1 11 . 1 1 51 51 LEU CB C 51 41.200 41.200 41.904 -0.704 18551 3588 1 11 . 1 1 52 52 HIS N N 52 115.300 115.300 116.467 -1.167 18551 3589 1 11 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.661 0.699 18551 3590 1 11 . 1 1 52 52 HIS C C 52 175.000 175.000 174.031 0.969 18551 3591 1 11 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.867 -2.067 18551 3592 1 11 . 1 1 52 52 HIS CB C 52 28.900 28.900 31.385 -2.485 18551 3593 1 11 . 1 1 53 53 ALA N N 53 122.100 122.100 122.827 -0.727 18551 3594 1 11 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.505 -0.435 18551 3595 1 11 . 1 1 53 53 ALA C C 53 178.300 178.300 176.398 1.902 18551 3596 1 11 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.870 1.730 18551 3597 1 11 . 1 1 53 53 ALA CB C 53 18.600 18.600 17.247 1.353 18551 3598 1 11 . 1 1 54 54 ALA N N 54 118.200 118.200 125.391 -7.191 18551 3599 1 11 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.169 0.121 18551 3600 1 11 . 1 1 54 54 ALA C C 54 177.700 177.700 178.146 -0.446 18551 3601 1 11 . 1 1 54 54 ALA CA C 54 52.800 52.800 52.868 -0.068 18551 3602 1 11 . 1 1 54 54 ALA CB C 54 19.000 19.000 19.683 -0.683 18551 3603 1 11 . 1 1 55 55 GLN N N 55 118.200 118.200 117.991 0.209 18551 3604 1 11 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.256 0.124 18551 3605 1 11 . 1 1 55 55 GLN C C 55 173.700 173.700 175.172 -1.472 18551 3606 1 11 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.551 -0.051 18551 3607 1 11 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.579 0.721 18551 3608 1 11 . 1 1 56 56 VAL N N 56 115.300 115.300 113.196 2.104 18551 3609 1 11 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.479 -0.069 18551 3610 1 11 . 1 1 56 56 VAL C C 56 174.500 174.500 174.043 0.457 18551 3611 1 11 . 1 1 56 56 VAL CA C 56 60.900 60.900 59.415 1.485 18551 3612 1 11 . 1 1 56 56 VAL CB C 56 33.900 33.900 33.009 0.891 18551 3613 1 11 . 1 1 57 57 PHE N N 57 122.700 122.700 121.272 1.428 18551 3614 1 11 . 1 1 57 57 PHE HA H 57 4.830 4.830 4.999 -0.169 18551 3615 1 11 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.052 0.148 18551 3616 1 11 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.399 -0.399 18551 3617 1 11 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.809 -0.089 18551 3618 1 11 . 1 1 58 58 PRO C C 58 175.700 175.700 176.325 -0.625 18551 3619 1 11 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.132 -0.032 18551 3620 1 11 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.923 0.377 18551 3621 1 11 . 1 1 59 59 CYS N N 59 125.200 125.200 125.605 -0.405 18551 3622 1 11 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.547 -0.127 18551 3623 1 11 . 1 1 59 59 CYS C C 59 176.300 176.300 176.292 0.008 18551 3624 1 11 . 1 1 59 59 CYS CA C 59 60.800 60.800 59.667 1.133 18551 3625 1 11 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.512 1.988 18551 3626 1 11 . 1 1 60 60 LYS N N 60 126.400 126.400 128.714 -2.314 18551 3627 1 11 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.977 0.183 18551 3628 1 11 . 1 1 60 60 LYS C C 60 176.800 176.800 176.691 0.109 18551 3629 1 11 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.489 -1.389 18551 3630 1 11 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.744 0.656 18551 3631 1 11 . 1 1 61 61 TYR N N 61 121.900 121.900 116.044 5.856 18551 3632 1 11 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.349 0.161 18551 3633 1 11 . 1 1 61 61 TYR C C 61 174.300 174.300 176.080 -1.780 18551 3634 1 11 . 1 1 61 61 TYR CA C 61 57.700 57.700 57.984 -0.284 18551 3635 1 11 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.327 -0.327 18551 3636 1 11 . 1 1 62 62 CYS N N 62 122.800 122.800 115.683 7.117 18551 3637 1 11 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.937 0.133 18551 3638 1 11 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.281 2.919 18551 3639 1 11 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.364 0.236 18551 3640 1 11 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.319 0.251 18551 3641 1 11 . 1 1 63 63 PRO C C 63 176.500 176.500 175.397 1.103 18551 3642 1 11 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.007 1.093 18551 3643 1 11 . 1 1 63 63 PRO CB C 63 31.900 31.900 29.336 2.564 18551 3644 1 11 . 1 1 64 64 ALA N N 64 125.400 125.400 126.673 -1.273 18551 3645 1 11 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.460 -0.430 18551 3646 1 11 . 1 1 64 64 ALA C C 64 176.100 176.100 175.527 0.573 18551 3647 1 11 . 1 1 64 64 ALA CA C 64 53.900 53.900 50.842 3.058 18551 3648 1 11 . 1 1 64 64 ALA CB C 64 20.200 20.200 20.249 -0.049 18551 3649 1 11 . 1 1 65 65 THR N N 65 113.200 113.200 120.311 -7.111 18551 3650 1 11 . 1 1 65 65 THR HA H 65 4.440 4.440 4.453 -0.013 18551 3651 1 11 . 1 1 65 65 THR C C 65 171.400 171.400 173.198 -1.798 18551 3652 1 11 . 1 1 65 65 THR CA C 65 61.400 61.400 62.303 -0.903 18551 3653 1 11 . 1 1 65 65 THR CB C 65 71.600 71.600 68.607 2.993 18551 3654 1 11 . 1 1 66 66 PHE N N 66 120.900 120.900 126.035 -5.135 18551 3655 1 11 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.710 -0.290 18551 3656 1 11 . 1 1 66 66 PHE CA C 66 57.200 57.200 57.245 -0.045 18551 3657 1 11 . 1 1 66 66 PHE CB C 66 42.700 42.700 40.481 2.219 18551 3658 1 11 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.587 0.693 18551 3659 1 11 . 1 1 67 67 TYR C C 67 174.800 174.800 174.550 0.250 18551 3660 1 11 . 1 1 67 67 TYR CA C 67 57.800 57.800 59.448 -1.648 18551 3661 1 11 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.550 -1.050 18551 3662 1 11 . 1 1 68 68 SER N N 68 112.800 112.800 113.085 -0.285 18551 3663 1 11 . 1 1 68 68 SER HA H 68 4.440 4.440 4.768 -0.328 18551 3664 1 11 . 1 1 68 68 SER C C 68 172.200 172.200 174.824 -2.624 18551 3665 1 11 . 1 1 68 68 SER CA C 68 57.000 57.000 56.545 0.455 18551 3666 1 11 . 1 1 68 68 SER CB C 68 66.400 66.400 66.558 -0.158 18551 3667 1 11 . 1 1 69 69 SER N N 69 117.800 117.800 120.074 -2.274 18551 3668 1 11 . 1 1 69 69 SER HA H 69 3.630 3.630 4.042 -0.411 18551 3669 1 11 . 1 1 69 69 SER CA C 69 61.900 61.900 61.596 0.304 18551 3670 1 11 . 1 1 69 69 SER CB C 69 60.900 60.900 60.518 0.382 18551 3671 1 11 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.236 0.024 18551 3672 1 11 . 1 1 70 70 PRO C C 70 179.000 179.000 178.857 0.143 18551 3673 1 11 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.520 0.180 18551 3674 1 11 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.079 -0.079 18551 3675 1 11 . 1 1 71 71 GLY N N 71 105.000 105.000 104.653 0.347 18551 3676 1 11 . 1 1 71 71 GLY C C 71 175.700 175.700 175.924 -0.224 18551 3677 1 11 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.386 0.314 18551 3678 1 11 . 1 1 72 72 LEU N N 72 123.600 123.600 122.084 1.516 18551 3679 1 11 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.953 -0.463 18551 3680 1 11 . 1 1 72 72 LEU C C 72 177.900 177.900 178.713 -0.813 18551 3681 1 11 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.512 0.288 18551 3682 1 11 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.798 -1.498 18551 3683 1 11 . 1 1 73 73 THR N N 73 117.100 117.100 114.854 2.246 18551 3684 1 11 . 1 1 73 73 THR HA H 73 3.710 3.710 3.940 -0.230 18551 3685 1 11 . 1 1 73 73 THR C C 73 176.100 176.100 176.846 -0.746 18551 3686 1 11 . 1 1 73 73 THR CA C 73 67.300 67.300 66.686 0.614 18551 3687 1 11 . 1 1 73 73 THR CB C 73 68.700 68.700 68.547 0.153 18551 3688 1 11 . 1 1 74 74 ARG N N 74 120.200 120.200 121.214 -1.014 18551 3689 1 11 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.960 0.020 18551 3690 1 11 . 1 1 74 74 ARG C C 74 178.500 178.500 178.371 0.129 18551 3691 1 11 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.761 -0.161 18551 3692 1 11 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.965 0.135 18551 3693 1 11 . 1 1 75 75 HIS N N 75 118.700 118.700 118.866 -0.166 18551 3694 1 11 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.442 -0.172 18551 3695 1 11 . 1 1 75 75 HIS C C 75 176.900 176.900 177.928 -1.028 18551 3696 1 11 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.615 -0.015 18551 3697 1 11 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.314 -1.413 18551 3698 1 11 . 1 1 76 76 ILE N N 76 121.600 121.600 121.278 0.322 18551 3699 1 11 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.923 -0.503 18551 3700 1 11 . 1 1 76 76 ILE C C 76 177.800 177.800 178.063 -0.263 18551 3701 1 11 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.306 0.994 18551 3702 1 11 . 1 1 76 76 ILE CB C 76 38.000 38.000 38.079 -0.079 18551 3703 1 11 . 1 1 77 77 ASN N N 77 115.900 115.900 117.701 -1.801 18551 3704 1 11 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.467 -0.197 18551 3705 1 11 . 1 1 77 77 ASN C C 77 176.400 176.400 176.894 -0.494 18551 3706 1 11 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.867 -0.067 18551 3707 1 11 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.176 0.224 18551 3708 1 11 . 1 1 78 78 LYS N N 78 116.200 116.200 118.895 -2.695 18551 3709 1 11 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.311 -0.141 18551 3710 1 11 . 1 1 78 78 LYS C C 78 178.400 178.400 177.109 1.291 18551 3711 1 11 . 1 1 78 78 LYS CA C 78 58.100 58.100 57.690 0.410 18551 3712 1 11 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.260 0.740 18551 3713 1 11 . 1 1 79 79 CYS N N 79 113.900 113.900 118.458 -4.558 18551 3714 1 11 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.462 -0.372 18551 3715 1 11 . 1 1 79 79 CYS C C 79 174.200 174.200 174.147 0.053 18551 3716 1 11 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.289 2.411 18551 3717 1 11 . 1 1 79 79 CYS CB C 79 28.000 28.000 28.168 -0.168 18551 3718 1 11 . 1 1 80 80 HIS N N 80 117.000 117.000 118.603 -1.603 18551 3719 1 11 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.729 0.551 18551 3720 1 11 . 1 1 80 80 HIS CA C 80 51.700 51.700 54.134 -2.434 18551 3721 1 11 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.302 -2.602 18551 3722 1 11 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.830 -0.510 18551 3723 1 11 . 1 1 81 81 PRO C C 81 178.100 178.100 177.309 0.791 18551 3724 1 11 . 1 1 81 81 PRO CA C 81 64.700 64.700 62.241 2.459 18551 3725 1 11 . 1 1 81 81 PRO CB C 81 31.500 31.500 33.086 -1.586 18551 3726 1 11 . 1 1 82 82 SER N N 82 114.100 114.100 114.388 -0.288 18551 3727 1 11 . 1 1 82 82 SER HA H 82 4.340 4.340 4.120 0.220 18551 3728 1 11 . 1 1 82 82 SER C C 82 174.900 174.900 175.198 -0.298 18551 3729 1 11 . 1 1 82 82 SER CA C 82 59.000 59.000 58.962 0.038 18551 3730 1 11 . 1 1 82 82 SER CB C 82 63.300 63.300 62.799 0.501 18551 3731 1 11 . 1 1 83 83 GLU N N 83 120.600 120.600 120.638 -0.038 18551 3732 1 11 . 1 1 83 83 GLU HA H 83 4.230 4.230 3.968 0.262 18551 3733 1 11 . 1 1 83 83 GLU C C 83 176.300 176.300 176.512 -0.212 18551 3734 1 11 . 1 1 83 83 GLU CA C 83 56.100 56.100 58.202 -2.102 18551 3735 1 11 . 1 1 83 83 GLU CB C 83 29.400 29.400 29.587 -0.188 18551 3736 1 11 . 1 1 84 84 ASN N N 84 119.100 119.100 119.093 0.007 18551 3737 1 11 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.586 0.124 18551 3738 1 11 . 1 1 84 84 ASN C C 84 174.100 174.100 175.284 -1.184 18551 3739 1 11 . 1 1 84 84 ASN CA C 84 53.200 53.200 53.328 -0.128 18551 3740 1 11 . 1 1 84 84 ASN CB C 84 39.000 39.000 37.950 1.050 18551 3741 1 12 . 1 1 11 11 MET HA H 11 4.440 4.440 4.429 0.011 18551 3742 1 12 . 1 1 11 11 MET C C 11 176.600 176.600 177.307 -0.707 18551 3743 1 12 . 1 1 11 11 MET CA C 11 55.600 55.600 55.530 0.070 18551 3744 1 12 . 1 1 11 11 MET CB C 11 32.700 32.700 32.097 0.603 18551 3745 1 12 . 1 1 12 12 GLY N N 12 110.000 110.000 112.412 -2.412 18551 3746 1 12 . 1 1 12 12 GLY C C 12 173.900 173.900 174.399 -0.499 18551 3747 1 12 . 1 1 12 12 GLY CA C 12 45.300 45.300 45.386 -0.086 18551 3748 1 12 . 1 1 13 13 ASP N N 13 120.500 120.500 118.709 1.791 18551 3749 1 12 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.484 0.156 18551 3750 1 12 . 1 1 13 13 ASP C C 13 176.900 176.900 175.698 1.202 18551 3751 1 12 . 1 1 13 13 ASP CA C 13 54.500 54.500 54.467 0.033 18551 3752 1 12 . 1 1 13 13 ASP CB C 13 41.400 41.400 41.068 0.333 18551 3753 1 12 . 1 1 14 14 GLY N N 14 109.300 109.300 112.305 -3.005 18551 3754 1 12 . 1 1 14 14 GLY C C 14 174.500 174.500 173.003 1.497 18551 3755 1 12 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.929 0.571 18551 3756 1 12 . 1 1 15 15 GLU N N 15 120.600 120.600 123.452 -2.852 18551 3757 1 12 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.419 -0.139 18551 3758 1 12 . 1 1 15 15 GLU C C 15 177.200 177.200 177.315 -0.115 18551 3759 1 12 . 1 1 15 15 GLU CA C 15 56.800 56.800 55.776 1.024 18551 3760 1 12 . 1 1 15 15 GLU CB C 15 30.100 30.100 29.861 0.239 18551 3761 1 12 . 1 1 16 16 GLY N N 16 109.900 109.900 114.267 -4.367 18551 3762 1 12 . 1 1 16 16 GLY C C 16 174.100 174.100 174.273 -0.173 18551 3763 1 12 . 1 1 16 16 GLY CA C 16 45.500 45.500 44.476 1.024 18551 3764 1 12 . 1 1 17 17 ALA N N 17 123.500 123.500 125.009 -1.509 18551 3765 1 12 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.307 -0.007 18551 3766 1 12 . 1 1 17 17 ALA C C 17 178.300 178.300 177.813 0.487 18551 3767 1 12 . 1 1 17 17 ALA CA C 17 52.800 52.800 53.336 -0.536 18551 3768 1 12 . 1 1 17 17 ALA CB C 17 19.300 19.300 19.440 -0.140 18551 3769 1 12 . 1 1 18 18 GLY N N 18 108.000 108.000 106.599 1.401 18551 3770 1 12 . 1 1 18 18 GLY C C 18 174.400 174.400 173.477 0.923 18551 3771 1 12 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.618 0.782 18551 3772 1 12 . 1 1 19 19 VAL N N 19 119.100 119.100 119.274 -0.174 18551 3773 1 12 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.728 -0.638 18551 3774 1 12 . 1 1 19 19 VAL C C 19 176.400 176.400 174.840 1.560 18551 3775 1 12 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.247 1.253 18551 3776 1 12 . 1 1 19 19 VAL CB C 19 32.500 32.500 33.730 -1.230 18551 3777 1 12 . 1 1 20 20 LEU N N 20 125.100 125.100 117.803 7.297 18551 3778 1 12 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.950 -0.620 18551 3779 1 12 . 1 1 20 20 LEU C C 20 177.900 177.900 176.227 1.673 18551 3780 1 12 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.553 0.847 18551 3781 1 12 . 1 1 20 20 LEU CB C 20 42.200 42.200 43.482 -1.282 18551 3782 1 12 . 1 1 21 21 GLY N N 21 109.300 109.300 107.666 1.634 18551 3783 1 12 . 1 1 21 21 GLY C C 21 174.200 174.200 172.429 1.771 18551 3784 1 12 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.935 0.465 18551 3785 1 12 . 1 1 22 22 LEU N N 22 121.600 121.600 121.708 -0.108 18551 3786 1 12 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.355 0.015 18551 3787 1 12 . 1 1 22 22 LEU C C 22 177.600 177.600 178.143 -0.543 18551 3788 1 12 . 1 1 22 22 LEU CA C 22 55.200 55.200 55.660 -0.460 18551 3789 1 12 . 1 1 22 22 LEU CB C 22 42.500 42.500 42.949 -0.449 18551 3790 1 12 . 1 1 23 23 SER N N 23 116.500 116.500 118.989 -2.489 18551 3791 1 12 . 1 1 23 23 SER HA H 23 4.440 4.440 4.139 0.301 18551 3792 1 12 . 1 1 23 23 SER C C 23 174.300 174.300 174.354 -0.054 18551 3793 1 12 . 1 1 23 23 SER CA C 23 58.300 58.300 60.182 -1.882 18551 3794 1 12 . 1 1 23 23 SER CB C 23 63.800 63.800 62.666 1.134 18551 3795 1 12 . 1 1 24 24 ALA N N 24 126.000 126.000 127.228 -1.228 18551 3796 1 12 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.332 0.018 18551 3797 1 12 . 1 1 24 24 ALA C C 24 177.700 177.700 176.434 1.266 18551 3798 1 12 . 1 1 24 24 ALA CA C 24 52.700 52.700 52.436 0.264 18551 3799 1 12 . 1 1 24 24 ALA CB C 24 19.400 19.400 18.588 0.812 18551 3800 1 12 . 1 1 25 25 SER N N 25 114.700 114.700 116.261 -1.561 18551 3801 1 12 . 1 1 25 25 SER HA H 25 4.430 4.430 4.661 -0.231 18551 3802 1 12 . 1 1 25 25 SER C C 25 174.200 174.200 173.880 0.320 18551 3803 1 12 . 1 1 25 25 SER CA C 25 58.200 58.200 57.535 0.665 18551 3804 1 12 . 1 1 25 25 SER CB C 25 63.900 63.900 65.365 -1.465 18551 3805 1 12 . 1 1 26 26 ALA N N 26 125.900 125.900 125.619 0.281 18551 3806 1 12 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.476 -0.136 18551 3807 1 12 . 1 1 26 26 ALA C C 26 177.400 177.400 177.093 0.307 18551 3808 1 12 . 1 1 26 26 ALA CA C 26 52.500 52.500 51.327 1.173 18551 3809 1 12 . 1 1 26 26 ALA CB C 26 19.400 19.400 19.576 -0.176 18551 3810 1 12 . 1 1 27 27 GLU N N 27 120.100 120.100 120.919 -0.819 18551 3811 1 12 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.253 -0.013 18551 3812 1 12 . 1 1 27 27 GLU C C 27 175.400 175.400 175.834 -0.434 18551 3813 1 12 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.447 -0.247 18551 3814 1 12 . 1 1 27 27 GLU CB C 27 30.700 30.700 28.931 1.769 18551 3815 1 12 . 1 1 28 28 CYS N N 28 119.400 119.400 124.184 -4.784 18551 3816 1 12 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.673 -0.083 18551 3817 1 12 . 1 1 28 28 CYS C C 28 173.000 173.000 174.101 -1.101 18551 3818 1 12 . 1 1 28 28 CYS CA C 28 57.900 57.900 56.921 0.979 18551 3819 1 12 . 1 1 28 28 CYS CB C 28 28.700 28.700 30.782 -2.082 18551 3820 1 12 . 1 1 29 29 HIS N N 29 124.500 124.500 121.409 3.091 18551 3821 1 12 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.572 0.068 18551 3822 1 12 . 1 1 29 29 HIS C C 29 174.700 174.700 174.196 0.504 18551 3823 1 12 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.204 -0.904 18551 3824 1 12 . 1 1 29 29 HIS CB C 29 32.400 32.400 30.687 1.713 18551 3825 1 12 . 1 1 30 30 LEU N N 30 123.900 123.900 127.322 -3.422 18551 3826 1 12 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.011 0.059 18551 3827 1 12 . 1 1 30 30 LEU C C 30 178.500 178.500 177.232 1.268 18551 3828 1 12 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.790 0.010 18551 3829 1 12 . 1 1 30 30 LEU CB C 30 43.700 43.700 43.399 0.301 18551 3830 1 12 . 1 1 31 31 CYS N N 31 126.700 126.700 124.546 2.154 18551 3831 1 12 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.819 -0.009 18551 3832 1 12 . 1 1 31 31 CYS C C 31 53.800 53.800 174.820 -121.020 18551 3833 1 12 . 1 1 31 31 CYS CA C 31 57.100 57.100 56.889 0.211 18551 3834 1 12 . 1 1 31 31 CYS CB C 31 30.300 30.300 27.375 2.925 18551 3835 1 12 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.455 0.005 18551 3836 1 12 . 1 1 32 32 PRO C C 32 176.000 176.000 175.906 0.094 18551 3837 1 12 . 1 1 32 32 PRO CA C 32 64.000 64.000 64.630 -0.630 18551 3838 1 12 . 1 1 32 32 PRO CB C 32 32.200 32.200 30.677 1.523 18551 3839 1 12 . 1 1 33 33 VAL N N 33 122.000 122.000 115.336 6.664 18551 3840 1 12 . 1 1 33 33 VAL HA H 33 3.810 3.810 4.231 -0.421 18551 3841 1 12 . 1 1 33 33 VAL C C 33 176.700 176.700 174.848 1.852 18551 3842 1 12 . 1 1 33 33 VAL CA C 33 64.800 64.800 61.848 2.952 18551 3843 1 12 . 1 1 33 33 VAL CB C 33 32.700 32.700 33.264 -0.564 18551 3844 1 12 . 1 1 34 34 CYS N N 34 117.100 117.100 117.288 -0.188 18551 3845 1 12 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.894 0.276 18551 3846 1 12 . 1 1 34 34 CYS C C 34 176.800 176.800 174.408 2.392 18551 3847 1 12 . 1 1 34 34 CYS CA C 34 58.500 58.500 57.108 1.392 18551 3848 1 12 . 1 1 34 34 CYS CB C 34 32.700 32.700 30.628 2.072 18551 3849 1 12 . 1 1 35 35 GLY N N 35 112.500 112.500 109.469 3.031 18551 3850 1 12 . 1 1 35 35 GLY C C 35 173.200 173.200 173.545 -0.345 18551 3851 1 12 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.074 0.326 18551 3852 1 12 . 1 1 36 36 GLU N N 36 122.500 122.500 123.397 -0.897 18551 3853 1 12 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.083 -0.093 18551 3854 1 12 . 1 1 36 36 GLU C C 36 173.800 173.800 174.156 -0.356 18551 3855 1 12 . 1 1 36 36 GLU CA C 36 57.900 57.900 56.060 1.840 18551 3856 1 12 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.390 -0.890 18551 3857 1 12 . 1 1 37 37 SER N N 37 116.300 116.300 120.315 -4.015 18551 3858 1 12 . 1 1 37 37 SER HA H 37 4.820 4.820 4.893 -0.073 18551 3859 1 12 . 1 1 37 37 SER C C 37 173.300 173.300 173.291 0.009 18551 3860 1 12 . 1 1 37 37 SER CA C 37 57.200 57.200 57.244 -0.044 18551 3861 1 12 . 1 1 37 37 SER CB C 37 65.300 65.300 64.053 1.247 18551 3862 1 12 . 1 1 38 38 PHE N N 38 120.000 120.000 125.858 -5.858 18551 3863 1 12 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.747 -0.097 18551 3864 1 12 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.352 0.048 18551 3865 1 12 . 1 1 38 38 PHE CB C 38 44.000 44.000 42.275 1.725 18551 3866 1 12 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.208 0.382 18551 3867 1 12 . 1 1 39 39 ALA C C 39 176.700 176.700 177.702 -1.002 18551 3868 1 12 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.988 -1.288 18551 3869 1 12 . 1 1 39 39 ALA CB C 39 19.400 19.400 18.781 0.619 18551 3870 1 12 . 1 1 40 40 SER N N 40 107.500 107.500 114.705 -7.205 18551 3871 1 12 . 1 1 40 40 SER HA H 40 4.560 4.560 4.621 -0.061 18551 3872 1 12 . 1 1 40 40 SER C C 40 173.400 173.400 174.820 -1.420 18551 3873 1 12 . 1 1 40 40 SER CA C 40 56.100 56.100 57.758 -1.658 18551 3874 1 12 . 1 1 40 40 SER CB C 40 66.400 66.400 64.159 2.241 18551 3875 1 12 . 1 1 41 41 LYS N N 41 124.400 124.400 127.281 -2.881 18551 3876 1 12 . 1 1 41 41 LYS HA H 41 3.440 3.440 4.114 -0.674 18551 3877 1 12 . 1 1 41 41 LYS C C 41 178.600 178.600 178.071 0.529 18551 3878 1 12 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.230 -0.030 18551 3879 1 12 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.300 -0.200 18551 3880 1 12 . 1 1 42 42 GLY N N 42 105.900 105.900 106.679 -0.779 18551 3881 1 12 . 1 1 42 42 GLY C C 42 176.700 176.700 175.543 1.157 18551 3882 1 12 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.663 0.237 18551 3883 1 12 . 1 1 43 43 ALA N N 43 123.500 123.500 122.794 0.706 18551 3884 1 12 . 1 1 43 43 ALA HA H 43 4.050 4.050 4.005 0.045 18551 3885 1 12 . 1 1 43 43 ALA C C 43 179.700 179.700 178.557 1.143 18551 3886 1 12 . 1 1 43 43 ALA CA C 43 54.700 54.700 53.867 0.833 18551 3887 1 12 . 1 1 43 43 ALA CB C 43 18.800 18.800 17.774 1.026 18551 3888 1 12 . 1 1 44 44 GLN N N 44 121.800 121.800 118.091 3.709 18551 3889 1 12 . 1 1 44 44 GLN HA H 44 2.600 2.600 4.110 -1.510 18551 3890 1 12 . 1 1 44 44 GLN C C 44 177.500 177.500 177.712 -0.212 18551 3891 1 12 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.331 1.069 18551 3892 1 12 . 1 1 44 44 GLN CB C 44 27.600 27.600 29.000 -1.400 18551 3893 1 12 . 1 1 45 45 GLU N N 45 120.200 120.200 119.806 0.394 18551 3894 1 12 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.120 -0.350 18551 3895 1 12 . 1 1 45 45 GLU C C 45 179.000 179.000 178.843 0.157 18551 3896 1 12 . 1 1 45 45 GLU CA C 45 59.900 59.900 58.957 0.943 18551 3897 1 12 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.312 0.087 18551 3898 1 12 . 1 1 46 46 ARG N N 46 119.900 119.900 118.464 1.436 18551 3899 1 12 . 1 1 46 46 ARG HA H 46 3.900 3.900 4.031 -0.131 18551 3900 1 12 . 1 1 46 46 ARG C C 46 177.800 177.800 178.309 -0.509 18551 3901 1 12 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.474 0.126 18551 3902 1 12 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.537 0.563 18551 3903 1 12 . 1 1 47 47 HIS N N 47 118.200 118.200 119.382 -1.182 18551 3904 1 12 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.349 -0.209 18551 3905 1 12 . 1 1 47 47 HIS C C 47 176.300 176.300 177.020 -0.720 18551 3906 1 12 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.499 0.101 18551 3907 1 12 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.278 -2.378 18551 3908 1 12 . 1 1 48 48 LEU N N 48 120.000 120.000 117.893 2.107 18551 3909 1 12 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.143 -0.333 18551 3910 1 12 . 1 1 48 48 LEU C C 48 178.500 178.500 178.790 -0.290 18551 3911 1 12 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.898 1.302 18551 3912 1 12 . 1 1 48 48 LEU CB C 48 42.700 42.700 42.084 0.616 18551 3913 1 12 . 1 1 49 49 ARG N N 49 115.400 115.400 117.037 -1.637 18551 3914 1 12 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.102 -0.202 18551 3915 1 12 . 1 1 49 49 ARG C C 49 177.600 177.600 177.616 -0.016 18551 3916 1 12 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.630 0.070 18551 3917 1 12 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.279 0.221 18551 3918 1 12 . 1 1 50 50 LEU N N 50 117.200 117.200 118.606 -1.406 18551 3919 1 12 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.322 -0.122 18551 3920 1 12 . 1 1 50 50 LEU C C 50 179.000 179.000 178.466 0.534 18551 3921 1 12 . 1 1 50 50 LEU CA C 50 56.800 56.800 55.774 1.026 18551 3922 1 12 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.621 0.079 18551 3923 1 12 . 1 1 51 51 LEU N N 51 117.800 117.800 117.537 0.263 18551 3924 1 12 . 1 1 51 51 LEU HA H 51 4.270 4.270 3.994 0.276 18551 3925 1 12 . 1 1 51 51 LEU C C 51 178.100 178.100 177.549 0.551 18551 3926 1 12 . 1 1 51 51 LEU CA C 51 55.000 55.000 56.290 -1.290 18551 3927 1 12 . 1 1 51 51 LEU CB C 51 41.200 41.200 41.679 -0.479 18551 3928 1 12 . 1 1 52 52 HIS N N 52 115.300 115.300 115.297 0.003 18551 3929 1 12 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.660 0.700 18551 3930 1 12 . 1 1 52 52 HIS C C 52 175.000 175.000 173.995 1.005 18551 3931 1 12 . 1 1 52 52 HIS CA C 52 52.800 52.800 55.076 -2.276 18551 3932 1 12 . 1 1 52 52 HIS CB C 52 28.900 28.900 31.163 -2.263 18551 3933 1 12 . 1 1 53 53 ALA N N 53 122.100 122.100 123.052 -0.952 18551 3934 1 12 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.467 -0.397 18551 3935 1 12 . 1 1 53 53 ALA C C 53 178.300 178.300 176.118 2.182 18551 3936 1 12 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.694 1.906 18551 3937 1 12 . 1 1 53 53 ALA CB C 53 18.600 18.600 17.133 1.467 18551 3938 1 12 . 1 1 54 54 ALA N N 54 118.200 118.200 124.708 -6.508 18551 3939 1 12 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.190 0.100 18551 3940 1 12 . 1 1 54 54 ALA C C 54 177.700 177.700 178.280 -0.580 18551 3941 1 12 . 1 1 54 54 ALA CA C 54 52.800 52.800 52.978 -0.179 18551 3942 1 12 . 1 1 54 54 ALA CB C 54 19.000 19.000 19.694 -0.694 18551 3943 1 12 . 1 1 55 55 GLN N N 55 118.200 118.200 117.664 0.536 18551 3944 1 12 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.254 0.126 18551 3945 1 12 . 1 1 55 55 GLN C C 55 173.700 173.700 176.265 -2.565 18551 3946 1 12 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.886 -0.386 18551 3947 1 12 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.844 0.456 18551 3948 1 12 . 1 1 56 56 VAL N N 56 115.300 115.300 115.055 0.245 18551 3949 1 12 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.122 0.288 18551 3950 1 12 . 1 1 56 56 VAL C C 56 174.500 174.500 174.570 -0.070 18551 3951 1 12 . 1 1 56 56 VAL CA C 56 60.900 60.900 61.439 -0.539 18551 3952 1 12 . 1 1 56 56 VAL CB C 56 33.900 33.900 32.327 1.573 18551 3953 1 12 . 1 1 57 57 PHE N N 57 122.700 122.700 122.533 0.167 18551 3954 1 12 . 1 1 57 57 PHE HA H 57 4.830 4.830 4.938 -0.108 18551 3955 1 12 . 1 1 57 57 PHE CA C 57 55.200 55.200 54.896 0.304 18551 3956 1 12 . 1 1 57 57 PHE CB C 57 40.000 40.000 39.773 0.227 18551 3957 1 12 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.647 0.073 18551 3958 1 12 . 1 1 58 58 PRO C C 58 175.700 175.700 176.520 -0.820 18551 3959 1 12 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.307 -0.207 18551 3960 1 12 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.441 0.859 18551 3961 1 12 . 1 1 59 59 CYS N N 59 125.200 125.200 126.334 -1.134 18551 3962 1 12 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.372 0.048 18551 3963 1 12 . 1 1 59 59 CYS C C 59 176.300 176.300 176.520 -0.220 18551 3964 1 12 . 1 1 59 59 CYS CA C 59 60.800 60.800 59.072 1.728 18551 3965 1 12 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.447 2.053 18551 3966 1 12 . 1 1 60 60 LYS N N 60 126.400 126.400 128.780 -2.380 18551 3967 1 12 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.908 0.252 18551 3968 1 12 . 1 1 60 60 LYS C C 60 176.800 176.800 176.124 0.676 18551 3969 1 12 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.788 -1.688 18551 3970 1 12 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.617 0.783 18551 3971 1 12 . 1 1 61 61 TYR N N 61 121.900 121.900 116.868 5.032 18551 3972 1 12 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.471 0.039 18551 3973 1 12 . 1 1 61 61 TYR C C 61 174.300 174.300 176.240 -1.940 18551 3974 1 12 . 1 1 61 61 TYR CA C 61 57.700 57.700 58.378 -0.678 18551 3975 1 12 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.999 -0.999 18551 3976 1 12 . 1 1 62 62 CYS N N 62 122.800 122.800 117.625 5.175 18551 3977 1 12 . 1 1 62 62 CYS HA H 62 5.070 5.070 5.024 0.046 18551 3978 1 12 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.141 3.059 18551 3979 1 12 . 1 1 62 62 CYS CB C 62 29.600 29.600 28.960 0.640 18551 3980 1 12 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.206 0.364 18551 3981 1 12 . 1 1 63 63 PRO C C 63 176.500 176.500 176.889 -0.389 18551 3982 1 12 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.302 0.798 18551 3983 1 12 . 1 1 63 63 PRO CB C 63 31.900 31.900 31.490 0.410 18551 3984 1 12 . 1 1 64 64 ALA N N 64 125.400 125.400 123.342 2.058 18551 3985 1 12 . 1 1 64 64 ALA HA H 64 4.030 4.030 3.992 0.038 18551 3986 1 12 . 1 1 64 64 ALA C C 64 176.100 176.100 176.084 0.016 18551 3987 1 12 . 1 1 64 64 ALA CA C 64 53.900 53.900 52.359 1.541 18551 3988 1 12 . 1 1 64 64 ALA CB C 64 20.200 20.200 18.390 1.810 18551 3989 1 12 . 1 1 65 65 THR N N 65 113.200 113.200 119.606 -6.406 18551 3990 1 12 . 1 1 65 65 THR HA H 65 4.440 4.440 4.241 0.199 18551 3991 1 12 . 1 1 65 65 THR C C 65 171.400 171.400 173.562 -2.162 18551 3992 1 12 . 1 1 65 65 THR CA C 65 61.400 61.400 62.131 -0.731 18551 3993 1 12 . 1 1 65 65 THR CB C 65 71.600 71.600 69.221 2.380 18551 3994 1 12 . 1 1 66 66 PHE N N 66 120.900 120.900 125.835 -4.935 18551 3995 1 12 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.538 -0.118 18551 3996 1 12 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.577 0.623 18551 3997 1 12 . 1 1 66 66 PHE CB C 66 42.700 42.700 41.368 1.332 18551 3998 1 12 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.908 0.372 18551 3999 1 12 . 1 1 67 67 TYR C C 67 174.800 174.800 175.215 -0.415 18551 4000 1 12 . 1 1 67 67 TYR CA C 67 57.800 57.800 57.600 0.200 18551 4001 1 12 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.236 -0.737 18551 4002 1 12 . 1 1 68 68 SER N N 68 112.800 112.800 115.814 -3.014 18551 4003 1 12 . 1 1 68 68 SER HA H 68 4.440 4.440 4.986 -0.546 18551 4004 1 12 . 1 1 68 68 SER C C 68 172.200 172.200 174.281 -2.081 18551 4005 1 12 . 1 1 68 68 SER CA C 68 57.000 57.000 57.115 -0.115 18551 4006 1 12 . 1 1 68 68 SER CB C 68 66.400 66.400 66.743 -0.343 18551 4007 1 12 . 1 1 69 69 SER N N 69 117.800 117.800 119.531 -1.731 18551 4008 1 12 . 1 1 69 69 SER HA H 69 3.630 3.630 3.812 -0.182 18551 4009 1 12 . 1 1 69 69 SER CA C 69 61.900 61.900 62.083 -0.183 18551 4010 1 12 . 1 1 69 69 SER CB C 69 60.900 60.900 60.953 -0.053 18551 4011 1 12 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.333 -0.073 18551 4012 1 12 . 1 1 70 70 PRO C C 70 179.000 179.000 178.725 0.275 18551 4013 1 12 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.034 0.666 18551 4014 1 12 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.357 -0.357 18551 4015 1 12 . 1 1 71 71 GLY N N 71 105.000 105.000 107.056 -2.056 18551 4016 1 12 . 1 1 71 71 GLY C C 71 175.700 175.700 175.898 -0.198 18551 4017 1 12 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.317 0.383 18551 4018 1 12 . 1 1 72 72 LEU N N 72 123.600 123.600 122.049 1.551 18551 4019 1 12 . 1 1 72 72 LEU HA H 72 3.490 3.490 4.017 -0.527 18551 4020 1 12 . 1 1 72 72 LEU C C 72 177.900 177.900 178.862 -0.962 18551 4021 1 12 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.176 0.624 18551 4022 1 12 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.708 -1.407 18551 4023 1 12 . 1 1 73 73 THR N N 73 117.100 117.100 113.626 3.474 18551 4024 1 12 . 1 1 73 73 THR HA H 73 3.710 3.710 3.932 -0.222 18551 4025 1 12 . 1 1 73 73 THR C C 73 176.100 176.100 176.819 -0.719 18551 4026 1 12 . 1 1 73 73 THR CA C 73 67.300 67.300 66.385 0.915 18551 4027 1 12 . 1 1 73 73 THR CB C 73 68.700 68.700 68.641 0.058 18551 4028 1 12 . 1 1 74 74 ARG N N 74 120.200 120.200 120.313 -0.113 18551 4029 1 12 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.951 0.029 18551 4030 1 12 . 1 1 74 74 ARG C C 74 178.500 178.500 178.240 0.260 18551 4031 1 12 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.077 0.523 18551 4032 1 12 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.188 0.912 18551 4033 1 12 . 1 1 75 75 HIS N N 75 118.700 118.700 119.519 -0.819 18551 4034 1 12 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.427 -0.157 18551 4035 1 12 . 1 1 75 75 HIS C C 75 176.900 176.900 177.780 -0.880 18551 4036 1 12 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.755 -0.155 18551 4037 1 12 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.403 -1.503 18551 4038 1 12 . 1 1 76 76 ILE N N 76 121.600 121.600 118.622 2.978 18551 4039 1 12 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.957 -0.537 18551 4040 1 12 . 1 1 76 76 ILE C C 76 177.800 177.800 177.145 0.655 18551 4041 1 12 . 1 1 76 76 ILE CA C 76 66.300 66.300 64.800 1.500 18551 4042 1 12 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.876 0.124 18551 4043 1 12 . 1 1 77 77 ASN N N 77 115.900 115.900 116.316 -0.416 18551 4044 1 12 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.572 -0.302 18551 4045 1 12 . 1 1 77 77 ASN C C 77 176.400 176.400 176.716 -0.316 18551 4046 1 12 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.762 0.038 18551 4047 1 12 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.935 -0.535 18551 4048 1 12 . 1 1 78 78 LYS N N 78 116.200 116.200 119.535 -3.335 18551 4049 1 12 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.287 -0.117 18551 4050 1 12 . 1 1 78 78 LYS C C 78 178.400 178.400 177.105 1.295 18551 4051 1 12 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.704 -0.604 18551 4052 1 12 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.822 0.178 18551 4053 1 12 . 1 1 79 79 CYS N N 79 113.900 113.900 116.938 -3.038 18551 4054 1 12 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.572 -0.482 18551 4055 1 12 . 1 1 79 79 CYS C C 79 174.200 174.200 174.159 0.041 18551 4056 1 12 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.982 1.718 18551 4057 1 12 . 1 1 79 79 CYS CB C 79 28.000 28.000 29.078 -1.078 18551 4058 1 12 . 1 1 80 80 HIS N N 80 117.000 117.000 118.938 -1.938 18551 4059 1 12 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.837 0.443 18551 4060 1 12 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.390 -1.690 18551 4061 1 12 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.589 -2.889 18551 4062 1 12 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.607 -0.287 18551 4063 1 12 . 1 1 81 81 PRO C C 81 178.100 178.100 177.334 0.766 18551 4064 1 12 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.839 0.861 18551 4065 1 12 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.031 -0.530 18551 4066 1 12 . 1 1 82 82 SER N N 82 114.100 114.100 116.418 -2.318 18551 4067 1 12 . 1 1 82 82 SER HA H 82 4.340 4.340 4.486 -0.146 18551 4068 1 12 . 1 1 82 82 SER C C 82 174.900 174.900 173.574 1.326 18551 4069 1 12 . 1 1 82 82 SER CA C 82 59.000 59.000 57.796 1.204 18551 4070 1 12 . 1 1 82 82 SER CB C 82 63.300 63.300 61.697 1.603 18551 4071 1 12 . 1 1 83 83 GLU N N 83 120.600 120.600 124.846 -4.246 18551 4072 1 12 . 1 1 83 83 GLU HA H 83 4.230 4.230 3.517 0.713 18551 4073 1 12 . 1 1 83 83 GLU C C 83 176.300 176.300 175.474 0.826 18551 4074 1 12 . 1 1 83 83 GLU CA C 83 56.100 56.100 56.197 -0.097 18551 4075 1 12 . 1 1 83 83 GLU CB C 83 29.400 29.400 27.970 1.430 18551 4076 1 12 . 1 1 84 84 ASN N N 84 119.100 119.100 119.376 -0.276 18551 4077 1 12 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.485 0.225 18551 4078 1 12 . 1 1 84 84 ASN C C 84 174.100 174.100 173.853 0.247 18551 4079 1 12 . 1 1 84 84 ASN CA C 84 53.200 53.200 54.107 -0.907 18551 4080 1 12 . 1 1 84 84 ASN CB C 84 39.000 39.000 38.274 0.726 18551 4081 1 13 . 1 1 11 11 MET HA H 11 4.440 4.440 4.886 -0.446 18551 4082 1 13 . 1 1 11 11 MET C C 11 176.600 176.600 174.627 1.973 18551 4083 1 13 . 1 1 11 11 MET CA C 11 55.600 55.600 54.715 0.884 18551 4084 1 13 . 1 1 11 11 MET CB C 11 32.700 32.700 34.671 -1.971 18551 4085 1 13 . 1 1 12 12 GLY N N 12 110.000 110.000 107.893 2.107 18551 4086 1 13 . 1 1 12 12 GLY C C 12 173.900 173.900 173.832 0.068 18551 4087 1 13 . 1 1 12 12 GLY CA C 12 45.300 45.300 45.037 0.263 18551 4088 1 13 . 1 1 13 13 ASP N N 13 120.500 120.500 122.051 -1.551 18551 4089 1 13 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.744 -0.104 18551 4090 1 13 . 1 1 13 13 ASP C C 13 176.900 176.900 176.405 0.495 18551 4091 1 13 . 1 1 13 13 ASP CA C 13 54.500 54.500 53.618 0.882 18551 4092 1 13 . 1 1 13 13 ASP CB C 13 41.400 41.400 42.158 -0.758 18551 4093 1 13 . 1 1 14 14 GLY N N 14 109.300 109.300 107.452 1.848 18551 4094 1 13 . 1 1 14 14 GLY C C 14 174.500 174.500 172.881 1.619 18551 4095 1 13 . 1 1 14 14 GLY CA C 14 45.500 45.500 45.037 0.463 18551 4096 1 13 . 1 1 15 15 GLU N N 15 120.600 120.600 120.690 -0.090 18551 4097 1 13 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.545 -0.265 18551 4098 1 13 . 1 1 15 15 GLU C C 15 177.200 177.200 175.519 1.681 18551 4099 1 13 . 1 1 15 15 GLU CA C 15 56.800 56.800 56.437 0.363 18551 4100 1 13 . 1 1 15 15 GLU CB C 15 30.100 30.100 30.827 -0.727 18551 4101 1 13 . 1 1 16 16 GLY N N 16 109.900 109.900 113.233 -3.333 18551 4102 1 13 . 1 1 16 16 GLY C C 16 174.100 174.100 172.754 1.346 18551 4103 1 13 . 1 1 16 16 GLY CA C 16 45.500 45.500 45.454 0.046 18551 4104 1 13 . 1 1 17 17 ALA N N 17 123.500 123.500 123.589 -0.089 18551 4105 1 13 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.662 -0.362 18551 4106 1 13 . 1 1 17 17 ALA C C 17 178.300 178.300 176.932 1.368 18551 4107 1 13 . 1 1 17 17 ALA CA C 17 52.800 52.800 51.399 1.401 18551 4108 1 13 . 1 1 17 17 ALA CB C 17 19.300 19.300 20.250 -0.950 18551 4109 1 13 . 1 1 18 18 GLY N N 18 108.000 108.000 106.444 1.556 18551 4110 1 13 . 1 1 18 18 GLY C C 18 174.400 174.400 174.666 -0.266 18551 4111 1 13 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.367 0.033 18551 4112 1 13 . 1 1 19 19 VAL N N 19 119.100 119.100 118.069 1.031 18551 4113 1 13 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.503 -0.413 18551 4114 1 13 . 1 1 19 19 VAL C C 19 176.400 176.400 175.257 1.143 18551 4115 1 13 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.042 1.458 18551 4116 1 13 . 1 1 19 19 VAL CB C 19 32.500 32.500 33.102 -0.602 18551 4117 1 13 . 1 1 20 20 LEU N N 20 125.100 125.100 122.310 2.790 18551 4118 1 13 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.607 -0.277 18551 4119 1 13 . 1 1 20 20 LEU C C 20 177.900 177.900 176.749 1.151 18551 4120 1 13 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.708 0.692 18551 4121 1 13 . 1 1 20 20 LEU CB C 20 42.200 42.200 42.037 0.163 18551 4122 1 13 . 1 1 21 21 GLY N N 21 109.300 109.300 111.088 -1.788 18551 4123 1 13 . 1 1 21 21 GLY C C 21 174.200 174.200 174.750 -0.550 18551 4124 1 13 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.896 0.504 18551 4125 1 13 . 1 1 22 22 LEU N N 22 121.600 121.600 124.550 -2.950 18551 4126 1 13 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.190 0.180 18551 4127 1 13 . 1 1 22 22 LEU C C 22 177.600 177.600 178.007 -0.407 18551 4128 1 13 . 1 1 22 22 LEU CA C 22 55.200 55.200 56.658 -1.458 18551 4129 1 13 . 1 1 22 22 LEU CB C 22 42.500 42.500 42.312 0.188 18551 4130 1 13 . 1 1 23 23 SER N N 23 116.500 116.500 113.235 3.265 18551 4131 1 13 . 1 1 23 23 SER HA H 23 4.440 4.440 4.347 0.093 18551 4132 1 13 . 1 1 23 23 SER C C 23 174.300 174.300 174.395 -0.095 18551 4133 1 13 . 1 1 23 23 SER CA C 23 58.300 58.300 58.452 -0.152 18551 4134 1 13 . 1 1 23 23 SER CB C 23 63.800 63.800 64.858 -1.058 18551 4135 1 13 . 1 1 24 24 ALA N N 24 126.000 126.000 125.848 0.152 18551 4136 1 13 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.090 0.260 18551 4137 1 13 . 1 1 24 24 ALA C C 24 177.700 177.700 177.020 0.680 18551 4138 1 13 . 1 1 24 24 ALA CA C 24 52.700 52.700 53.070 -0.370 18551 4139 1 13 . 1 1 24 24 ALA CB C 24 19.400 19.400 18.054 1.346 18551 4140 1 13 . 1 1 25 25 SER N N 25 114.700 114.700 115.000 -0.300 18551 4141 1 13 . 1 1 25 25 SER HA H 25 4.430 4.430 4.429 0.001 18551 4142 1 13 . 1 1 25 25 SER C C 25 174.200 174.200 174.383 -0.183 18551 4143 1 13 . 1 1 25 25 SER CA C 25 58.200 58.200 58.650 -0.450 18551 4144 1 13 . 1 1 25 25 SER CB C 25 63.900 63.900 63.542 0.358 18551 4145 1 13 . 1 1 26 26 ALA N N 26 125.900 125.900 124.888 1.012 18551 4146 1 13 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.356 -0.016 18551 4147 1 13 . 1 1 26 26 ALA C C 26 177.400 177.400 177.783 -0.383 18551 4148 1 13 . 1 1 26 26 ALA CA C 26 52.500 52.500 52.368 0.132 18551 4149 1 13 . 1 1 26 26 ALA CB C 26 19.400 19.400 19.569 -0.169 18551 4150 1 13 . 1 1 27 27 GLU N N 27 120.100 120.100 122.520 -2.420 18551 4151 1 13 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.240 0.000 18551 4152 1 13 . 1 1 27 27 GLU C C 27 175.400 175.400 175.309 0.091 18551 4153 1 13 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.204 -0.004 18551 4154 1 13 . 1 1 27 27 GLU CB C 27 30.700 30.700 27.534 3.166 18551 4155 1 13 . 1 1 28 28 CYS N N 28 119.400 119.400 119.591 -0.191 18551 4156 1 13 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.395 0.195 18551 4157 1 13 . 1 1 28 28 CYS C C 28 173.000 173.000 173.327 -0.327 18551 4158 1 13 . 1 1 28 28 CYS CA C 28 57.900 57.900 57.961 -0.061 18551 4159 1 13 . 1 1 28 28 CYS CB C 28 28.700 28.700 31.936 -3.236 18551 4160 1 13 . 1 1 29 29 HIS N N 29 124.500 124.500 120.509 3.991 18551 4161 1 13 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.608 0.032 18551 4162 1 13 . 1 1 29 29 HIS C C 29 174.700 174.700 174.502 0.198 18551 4163 1 13 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.802 -1.502 18551 4164 1 13 . 1 1 29 29 HIS CB C 29 32.400 32.400 29.139 3.261 18551 4165 1 13 . 1 1 30 30 LEU N N 30 123.900 123.900 125.089 -1.189 18551 4166 1 13 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.288 -0.218 18551 4167 1 13 . 1 1 30 30 LEU C C 30 178.500 178.500 176.967 1.533 18551 4168 1 13 . 1 1 30 30 LEU CA C 30 53.800 53.800 52.987 0.813 18551 4169 1 13 . 1 1 30 30 LEU CB C 30 43.700 43.700 43.453 0.247 18551 4170 1 13 . 1 1 31 31 CYS N N 31 126.700 126.700 126.357 0.343 18551 4171 1 13 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.457 0.353 18551 4172 1 13 . 1 1 31 31 CYS C C 31 53.800 53.800 174.822 -121.022 18551 4173 1 13 . 1 1 31 31 CYS CA C 31 57.100 57.100 57.414 -0.314 18551 4174 1 13 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.114 4.186 18551 4175 1 13 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.195 0.265 18551 4176 1 13 . 1 1 32 32 PRO C C 32 176.000 176.000 177.052 -1.052 18551 4177 1 13 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.803 -1.804 18551 4178 1 13 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.826 0.374 18551 4179 1 13 . 1 1 33 33 VAL N N 33 122.000 122.000 112.945 9.055 18551 4180 1 13 . 1 1 33 33 VAL HA H 33 3.810 3.810 3.940 -0.130 18551 4181 1 13 . 1 1 33 33 VAL C C 33 176.700 176.700 176.593 0.107 18551 4182 1 13 . 1 1 33 33 VAL CA C 33 64.800 64.800 63.392 1.408 18551 4183 1 13 . 1 1 33 33 VAL CB C 33 32.700 32.700 31.550 1.149 18551 4184 1 13 . 1 1 34 34 CYS N N 34 117.100 117.100 117.494 -0.394 18551 4185 1 13 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.639 0.531 18551 4186 1 13 . 1 1 34 34 CYS C C 34 176.800 176.800 174.989 1.811 18551 4187 1 13 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.338 2.162 18551 4188 1 13 . 1 1 34 34 CYS CB C 34 32.700 32.700 28.786 3.914 18551 4189 1 13 . 1 1 35 35 GLY N N 35 112.500 112.500 110.728 1.772 18551 4190 1 13 . 1 1 35 35 GLY C C 35 173.200 173.200 173.623 -0.423 18551 4191 1 13 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.162 0.238 18551 4192 1 13 . 1 1 36 36 GLU N N 36 122.500 122.500 124.210 -1.710 18551 4193 1 13 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.217 -0.227 18551 4194 1 13 . 1 1 36 36 GLU C C 36 173.800 173.800 174.555 -0.755 18551 4195 1 13 . 1 1 36 36 GLU CA C 36 57.900 57.900 54.878 3.022 18551 4196 1 13 . 1 1 36 36 GLU CB C 36 30.500 30.500 32.331 -1.831 18551 4197 1 13 . 1 1 37 37 SER N N 37 116.300 116.300 121.330 -5.030 18551 4198 1 13 . 1 1 37 37 SER HA H 37 4.820 4.820 4.278 0.542 18551 4199 1 13 . 1 1 37 37 SER C C 37 173.300 173.300 173.246 0.054 18551 4200 1 13 . 1 1 37 37 SER CA C 37 57.200 57.200 59.157 -1.957 18551 4201 1 13 . 1 1 37 37 SER CB C 37 65.300 65.300 62.760 2.540 18551 4202 1 13 . 1 1 38 38 PHE N N 38 120.000 120.000 125.356 -5.356 18551 4203 1 13 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.771 -0.121 18551 4204 1 13 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.237 0.163 18551 4205 1 13 . 1 1 38 38 PHE CB C 38 44.000 44.000 41.440 2.560 18551 4206 1 13 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.280 0.310 18551 4207 1 13 . 1 1 39 39 ALA C C 39 176.700 176.700 177.914 -1.214 18551 4208 1 13 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.876 -1.176 18551 4209 1 13 . 1 1 39 39 ALA CB C 39 19.400 19.400 18.860 0.540 18551 4210 1 13 . 1 1 40 40 SER N N 40 107.500 107.500 115.573 -8.073 18551 4211 1 13 . 1 1 40 40 SER HA H 40 4.560 4.560 4.535 0.025 18551 4212 1 13 . 1 1 40 40 SER C C 40 173.400 173.400 174.540 -1.140 18551 4213 1 13 . 1 1 40 40 SER CA C 40 56.100 56.100 58.004 -1.903 18551 4214 1 13 . 1 1 40 40 SER CB C 40 66.400 66.400 63.630 2.770 18551 4215 1 13 . 1 1 41 41 LYS N N 41 124.400 124.400 128.287 -3.887 18551 4216 1 13 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.879 -0.439 18551 4217 1 13 . 1 1 41 41 LYS C C 41 178.600 178.600 178.071 0.529 18551 4218 1 13 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.766 -0.566 18551 4219 1 13 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.152 -0.052 18551 4220 1 13 . 1 1 42 42 GLY N N 42 105.900 105.900 105.766 0.134 18551 4221 1 13 . 1 1 42 42 GLY C C 42 176.700 176.700 175.566 1.134 18551 4222 1 13 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.616 0.284 18551 4223 1 13 . 1 1 43 43 ALA N N 43 123.500 123.500 123.260 0.240 18551 4224 1 13 . 1 1 43 43 ALA HA H 43 4.050 4.050 4.028 0.022 18551 4225 1 13 . 1 1 43 43 ALA C C 43 179.700 179.700 178.856 0.844 18551 4226 1 13 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.032 0.668 18551 4227 1 13 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.116 0.684 18551 4228 1 13 . 1 1 44 44 GLN N N 44 121.800 121.800 118.027 3.773 18551 4229 1 13 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.175 -0.575 18551 4230 1 13 . 1 1 44 44 GLN C C 44 177.500 177.500 177.816 -0.316 18551 4231 1 13 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.455 0.945 18551 4232 1 13 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.631 -1.031 18551 4233 1 13 . 1 1 45 45 GLU N N 45 120.200 120.200 118.466 1.734 18551 4234 1 13 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.023 -0.253 18551 4235 1 13 . 1 1 45 45 GLU C C 45 179.000 179.000 178.983 0.017 18551 4236 1 13 . 1 1 45 45 GLU CA C 45 59.900 59.900 58.918 0.982 18551 4237 1 13 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.063 0.337 18551 4238 1 13 . 1 1 46 46 ARG N N 46 119.900 119.900 117.647 2.253 18551 4239 1 13 . 1 1 46 46 ARG HA H 46 3.900 3.900 3.998 -0.098 18551 4240 1 13 . 1 1 46 46 ARG C C 46 177.800 177.800 177.878 -0.078 18551 4241 1 13 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.260 0.340 18551 4242 1 13 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.546 0.554 18551 4243 1 13 . 1 1 47 47 HIS N N 47 118.200 118.200 119.800 -1.600 18551 4244 1 13 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.436 -0.296 18551 4245 1 13 . 1 1 47 47 HIS C C 47 176.300 176.300 177.449 -1.149 18551 4246 1 13 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.863 -0.263 18551 4247 1 13 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.233 -2.333 18551 4248 1 13 . 1 1 48 48 LEU N N 48 120.000 120.000 119.376 0.624 18551 4249 1 13 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.182 -0.372 18551 4250 1 13 . 1 1 48 48 LEU C C 48 178.500 178.500 178.405 0.095 18551 4251 1 13 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.726 1.474 18551 4252 1 13 . 1 1 48 48 LEU CB C 48 42.700 42.700 41.989 0.712 18551 4253 1 13 . 1 1 49 49 ARG N N 49 115.400 115.400 117.854 -2.454 18551 4254 1 13 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.039 -0.139 18551 4255 1 13 . 1 1 49 49 ARG C C 49 177.600 177.600 177.939 -0.339 18551 4256 1 13 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.515 0.185 18551 4257 1 13 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.440 0.060 18551 4258 1 13 . 1 1 50 50 LEU N N 50 117.200 117.200 118.164 -0.964 18551 4259 1 13 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.080 0.120 18551 4260 1 13 . 1 1 50 50 LEU C C 50 179.000 179.000 178.441 0.559 18551 4261 1 13 . 1 1 50 50 LEU CA C 50 56.800 56.800 57.020 -0.220 18551 4262 1 13 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.139 0.561 18551 4263 1 13 . 1 1 51 51 LEU N N 51 117.800 117.800 115.921 1.879 18551 4264 1 13 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.199 0.071 18551 4265 1 13 . 1 1 51 51 LEU C C 51 178.100 178.100 177.984 0.116 18551 4266 1 13 . 1 1 51 51 LEU CA C 51 55.000 55.000 55.956 -0.956 18551 4267 1 13 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.886 -1.685 18551 4268 1 13 . 1 1 52 52 HIS N N 52 115.300 115.300 115.961 -0.661 18551 4269 1 13 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.611 0.749 18551 4270 1 13 . 1 1 52 52 HIS C C 52 175.000 175.000 174.885 0.115 18551 4271 1 13 . 1 1 52 52 HIS CA C 52 52.800 52.800 55.277 -2.477 18551 4272 1 13 . 1 1 52 52 HIS CB C 52 28.900 28.900 28.992 -0.092 18551 4273 1 13 . 1 1 53 53 ALA N N 53 122.100 122.100 121.337 0.763 18551 4274 1 13 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.256 -0.186 18551 4275 1 13 . 1 1 53 53 ALA C C 53 178.300 178.300 177.109 1.191 18551 4276 1 13 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.005 2.595 18551 4277 1 13 . 1 1 53 53 ALA CB C 53 18.600 18.600 18.702 -0.102 18551 4278 1 13 . 1 1 54 54 ALA N N 54 118.200 118.200 120.941 -2.741 18551 4279 1 13 . 1 1 54 54 ALA HA H 54 4.290 4.290 3.982 0.308 18551 4280 1 13 . 1 1 54 54 ALA C C 54 177.700 177.700 178.821 -1.121 18551 4281 1 13 . 1 1 54 54 ALA CA C 54 52.800 52.800 53.996 -1.196 18551 4282 1 13 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.714 0.286 18551 4283 1 13 . 1 1 55 55 GLN N N 55 118.200 118.200 115.309 2.891 18551 4284 1 13 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.151 0.229 18551 4285 1 13 . 1 1 55 55 GLN C C 55 173.700 173.700 176.287 -2.587 18551 4286 1 13 . 1 1 55 55 GLN CA C 55 55.500 55.500 56.548 -1.048 18551 4287 1 13 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.515 0.785 18551 4288 1 13 . 1 1 56 56 VAL N N 56 115.300 115.300 113.671 1.629 18551 4289 1 13 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.268 0.142 18551 4290 1 13 . 1 1 56 56 VAL C C 56 174.500 174.500 174.868 -0.368 18551 4291 1 13 . 1 1 56 56 VAL CA C 56 60.900 60.900 60.787 0.113 18551 4292 1 13 . 1 1 56 56 VAL CB C 56 33.900 33.900 32.667 1.233 18551 4293 1 13 . 1 1 57 57 PHE N N 57 122.700 122.700 122.100 0.600 18551 4294 1 13 . 1 1 57 57 PHE HA H 57 4.830 4.830 4.951 -0.121 18551 4295 1 13 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.200 0.000 18551 4296 1 13 . 1 1 57 57 PHE CB C 57 40.000 40.000 39.586 0.414 18551 4297 1 13 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.676 0.044 18551 4298 1 13 . 1 1 58 58 PRO C C 58 175.700 175.700 176.160 -0.460 18551 4299 1 13 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.382 -0.282 18551 4300 1 13 . 1 1 58 58 PRO CB C 58 32.300 32.300 32.404 -0.104 18551 4301 1 13 . 1 1 59 59 CYS N N 59 125.200 125.200 123.255 1.945 18551 4302 1 13 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.582 -0.162 18551 4303 1 13 . 1 1 59 59 CYS C C 59 176.300 176.300 176.153 0.147 18551 4304 1 13 . 1 1 59 59 CYS CA C 59 60.800 60.800 59.831 0.969 18551 4305 1 13 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.141 2.359 18551 4306 1 13 . 1 1 60 60 LYS N N 60 126.400 126.400 128.585 -2.185 18551 4307 1 13 . 1 1 60 60 LYS HA H 60 4.160 4.160 4.191 -0.031 18551 4308 1 13 . 1 1 60 60 LYS C C 60 176.800 176.800 175.555 1.245 18551 4309 1 13 . 1 1 60 60 LYS CA C 60 57.100 57.100 57.287 -0.187 18551 4310 1 13 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.003 1.397 18551 4311 1 13 . 1 1 61 61 TYR N N 61 121.900 121.900 116.537 5.363 18551 4312 1 13 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.663 -0.153 18551 4313 1 13 . 1 1 61 61 TYR C C 61 174.300 174.300 176.246 -1.946 18551 4314 1 13 . 1 1 61 61 TYR CA C 61 57.700 57.700 57.880 -0.180 18551 4315 1 13 . 1 1 61 61 TYR CB C 61 38.000 38.000 39.050 -1.050 18551 4316 1 13 . 1 1 62 62 CYS N N 62 122.800 122.800 118.023 4.777 18551 4317 1 13 . 1 1 62 62 CYS HA H 62 5.070 5.070 5.175 -0.105 18551 4318 1 13 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.258 2.942 18551 4319 1 13 . 1 1 62 62 CYS CB C 62 29.600 29.600 30.091 -0.491 18551 4320 1 13 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.328 0.242 18551 4321 1 13 . 1 1 63 63 PRO C C 63 176.500 176.500 175.769 0.731 18551 4322 1 13 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.624 0.476 18551 4323 1 13 . 1 1 63 63 PRO CB C 63 31.900 31.900 29.991 1.909 18551 4324 1 13 . 1 1 64 64 ALA N N 64 125.400 125.400 128.448 -3.048 18551 4325 1 13 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.329 -0.299 18551 4326 1 13 . 1 1 64 64 ALA C C 64 176.100 176.100 175.243 0.857 18551 4327 1 13 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.953 1.946 18551 4328 1 13 . 1 1 64 64 ALA CB C 64 20.200 20.200 20.788 -0.588 18551 4329 1 13 . 1 1 65 65 THR N N 65 113.200 113.200 119.979 -6.779 18551 4330 1 13 . 1 1 65 65 THR HA H 65 4.440 4.440 4.415 0.025 18551 4331 1 13 . 1 1 65 65 THR C C 65 171.400 171.400 173.170 -1.770 18551 4332 1 13 . 1 1 65 65 THR CA C 65 61.400 61.400 61.486 -0.086 18551 4333 1 13 . 1 1 65 65 THR CB C 65 71.600 71.600 69.299 2.301 18551 4334 1 13 . 1 1 66 66 PHE N N 66 120.900 120.900 125.670 -4.770 18551 4335 1 13 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.826 -0.406 18551 4336 1 13 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.588 0.612 18551 4337 1 13 . 1 1 66 66 PHE CB C 66 42.700 42.700 41.397 1.303 18551 4338 1 13 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.435 0.845 18551 4339 1 13 . 1 1 67 67 TYR C C 67 174.800 174.800 175.101 -0.301 18551 4340 1 13 . 1 1 67 67 TYR CA C 67 57.800 57.800 60.341 -2.541 18551 4341 1 13 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.745 -1.245 18551 4342 1 13 . 1 1 68 68 SER N N 68 112.800 112.800 111.768 1.032 18551 4343 1 13 . 1 1 68 68 SER HA H 68 4.440 4.440 4.958 -0.518 18551 4344 1 13 . 1 1 68 68 SER C C 68 172.200 172.200 174.511 -2.311 18551 4345 1 13 . 1 1 68 68 SER CA C 68 57.000 57.000 57.212 -0.213 18551 4346 1 13 . 1 1 68 68 SER CB C 68 66.400 66.400 66.654 -0.255 18551 4347 1 13 . 1 1 69 69 SER N N 69 117.800 117.800 119.311 -1.511 18551 4348 1 13 . 1 1 69 69 SER HA H 69 3.630 3.630 3.994 -0.364 18551 4349 1 13 . 1 1 69 69 SER CA C 69 61.900 61.900 63.614 -1.714 18551 4350 1 13 . 1 1 69 69 SER CB C 69 60.900 60.900 61.140 -0.240 18551 4351 1 13 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.221 0.039 18551 4352 1 13 . 1 1 70 70 PRO C C 70 179.000 179.000 178.887 0.113 18551 4353 1 13 . 1 1 70 70 PRO CA C 70 65.700 65.700 66.173 -0.473 18551 4354 1 13 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.219 -0.219 18551 4355 1 13 . 1 1 71 71 GLY N N 71 105.000 105.000 104.843 0.157 18551 4356 1 13 . 1 1 71 71 GLY C C 71 175.700 175.700 176.024 -0.324 18551 4357 1 13 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.470 0.230 18551 4358 1 13 . 1 1 72 72 LEU N N 72 123.600 123.600 122.285 1.315 18551 4359 1 13 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.985 -0.495 18551 4360 1 13 . 1 1 72 72 LEU C C 72 177.900 177.900 178.844 -0.944 18551 4361 1 13 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.475 0.325 18551 4362 1 13 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.754 -1.454 18551 4363 1 13 . 1 1 73 73 THR N N 73 117.100 117.100 114.669 2.431 18551 4364 1 13 . 1 1 73 73 THR HA H 73 3.710 3.710 4.039 -0.329 18551 4365 1 13 . 1 1 73 73 THR C C 73 176.100 176.100 176.660 -0.560 18551 4366 1 13 . 1 1 73 73 THR CA C 73 67.300 67.300 66.221 1.079 18551 4367 1 13 . 1 1 73 73 THR CB C 73 68.700 68.700 68.202 0.498 18551 4368 1 13 . 1 1 74 74 ARG N N 74 120.200 120.200 121.032 -0.832 18551 4369 1 13 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.994 -0.014 18551 4370 1 13 . 1 1 74 74 ARG C C 74 178.500 178.500 178.463 0.037 18551 4371 1 13 . 1 1 74 74 ARG CA C 74 59.600 59.600 58.668 0.932 18551 4372 1 13 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.067 1.033 18551 4373 1 13 . 1 1 75 75 HIS N N 75 118.700 118.700 119.221 -0.521 18551 4374 1 13 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.423 -0.153 18551 4375 1 13 . 1 1 75 75 HIS C C 75 176.900 176.900 177.602 -0.702 18551 4376 1 13 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.630 -0.030 18551 4377 1 13 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.438 -1.538 18551 4378 1 13 . 1 1 76 76 ILE N N 76 121.600 121.600 117.773 3.827 18551 4379 1 13 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.798 -0.378 18551 4380 1 13 . 1 1 76 76 ILE C C 76 177.800 177.800 177.781 0.019 18551 4381 1 13 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.169 1.131 18551 4382 1 13 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.588 0.412 18551 4383 1 13 . 1 1 77 77 ASN N N 77 115.900 115.900 116.590 -0.690 18551 4384 1 13 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.617 -0.347 18551 4385 1 13 . 1 1 77 77 ASN C C 77 176.400 176.400 176.441 -0.041 18551 4386 1 13 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.534 0.266 18551 4387 1 13 . 1 1 77 77 ASN CB C 77 38.400 38.400 39.040 -0.640 18551 4388 1 13 . 1 1 78 78 LYS N N 78 116.200 116.200 119.464 -3.264 18551 4389 1 13 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.222 -0.052 18551 4390 1 13 . 1 1 78 78 LYS C C 78 178.400 178.400 177.064 1.336 18551 4391 1 13 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.706 -0.606 18551 4392 1 13 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.544 0.456 18551 4393 1 13 . 1 1 79 79 CYS N N 79 113.900 113.900 117.981 -4.081 18551 4394 1 13 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.473 -0.383 18551 4395 1 13 . 1 1 79 79 CYS C C 79 174.200 174.200 174.263 -0.063 18551 4396 1 13 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.524 2.176 18551 4397 1 13 . 1 1 79 79 CYS CB C 79 28.000 28.000 28.187 -0.187 18551 4398 1 13 . 1 1 80 80 HIS N N 80 117.000 117.000 118.766 -1.766 18551 4399 1 13 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.712 0.568 18551 4400 1 13 . 1 1 80 80 HIS CA C 80 51.700 51.700 54.232 -2.532 18551 4401 1 13 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.136 -2.436 18551 4402 1 13 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.808 -0.488 18551 4403 1 13 . 1 1 81 81 PRO C C 81 178.100 178.100 176.985 1.115 18551 4404 1 13 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.418 1.282 18551 4405 1 13 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.277 -0.777 18551 4406 1 13 . 1 1 82 82 SER N N 82 114.100 114.100 112.912 1.188 18551 4407 1 13 . 1 1 82 82 SER HA H 82 4.340 4.340 4.336 0.004 18551 4408 1 13 . 1 1 82 82 SER C C 82 174.900 174.900 174.122 0.778 18551 4409 1 13 . 1 1 82 82 SER CA C 82 59.000 59.000 58.298 0.702 18551 4410 1 13 . 1 1 82 82 SER CB C 82 63.300 63.300 63.089 0.211 18551 4411 1 13 . 1 1 83 83 GLU N N 83 120.600 120.600 123.250 -2.650 18551 4412 1 13 . 1 1 83 83 GLU HA H 83 4.230 4.230 3.938 0.292 18551 4413 1 13 . 1 1 83 83 GLU C C 83 176.300 176.300 175.624 0.676 18551 4414 1 13 . 1 1 83 83 GLU CA C 83 56.100 56.100 56.882 -0.782 18551 4415 1 13 . 1 1 83 83 GLU CB C 83 29.400 29.400 29.850 -0.450 18551 4416 1 13 . 1 1 84 84 ASN N N 84 119.100 119.100 121.139 -2.039 18551 4417 1 13 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.573 0.137 18551 4418 1 13 . 1 1 84 84 ASN C C 84 174.100 174.100 175.798 -1.698 18551 4419 1 13 . 1 1 84 84 ASN CA C 84 53.200 53.200 53.650 -0.450 18551 4420 1 13 . 1 1 84 84 ASN CB C 84 39.000 39.000 39.074 -0.074 18551 4421 1 14 . 1 1 11 11 MET HA H 11 4.440 4.440 4.441 -0.001 18551 4422 1 14 . 1 1 11 11 MET C C 11 176.600 176.600 177.356 -0.756 18551 4423 1 14 . 1 1 11 11 MET CA C 11 55.600 55.600 55.462 0.138 18551 4424 1 14 . 1 1 11 11 MET CB C 11 32.700 32.700 32.833 -0.133 18551 4425 1 14 . 1 1 12 12 GLY N N 12 110.000 110.000 109.898 0.102 18551 4426 1 14 . 1 1 12 12 GLY C C 12 173.900 173.900 174.201 -0.301 18551 4427 1 14 . 1 1 12 12 GLY CA C 12 45.300 45.300 45.156 0.145 18551 4428 1 14 . 1 1 13 13 ASP N N 13 120.500 120.500 117.993 2.507 18551 4429 1 14 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.584 0.056 18551 4430 1 14 . 1 1 13 13 ASP C C 13 176.900 176.900 177.382 -0.482 18551 4431 1 14 . 1 1 13 13 ASP CA C 13 54.500 54.500 54.341 0.159 18551 4432 1 14 . 1 1 13 13 ASP CB C 13 41.400 41.400 41.840 -0.440 18551 4433 1 14 . 1 1 14 14 GLY N N 14 109.300 109.300 108.750 0.550 18551 4434 1 14 . 1 1 14 14 GLY C C 14 174.500 174.500 174.305 0.195 18551 4435 1 14 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.794 0.706 18551 4436 1 14 . 1 1 15 15 GLU N N 15 120.600 120.600 118.405 2.195 18551 4437 1 14 . 1 1 15 15 GLU HA H 15 4.280 4.280 3.910 0.370 18551 4438 1 14 . 1 1 15 15 GLU C C 15 177.200 177.200 176.551 0.649 18551 4439 1 14 . 1 1 15 15 GLU CA C 15 56.800 56.800 56.431 0.369 18551 4440 1 14 . 1 1 15 15 GLU CB C 15 30.100 30.100 27.815 2.285 18551 4441 1 14 . 1 1 16 16 GLY N N 16 109.900 109.900 107.507 2.393 18551 4442 1 14 . 1 1 16 16 GLY C C 16 174.100 174.100 173.878 0.222 18551 4443 1 14 . 1 1 16 16 GLY CA C 16 45.500 45.500 44.747 0.753 18551 4444 1 14 . 1 1 17 17 ALA N N 17 123.500 123.500 125.386 -1.886 18551 4445 1 14 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.783 -0.483 18551 4446 1 14 . 1 1 17 17 ALA C C 17 178.300 178.300 177.306 0.994 18551 4447 1 14 . 1 1 17 17 ALA CA C 17 52.800 52.800 51.325 1.475 18551 4448 1 14 . 1 1 17 17 ALA CB C 17 19.300 19.300 19.956 -0.656 18551 4449 1 14 . 1 1 18 18 GLY N N 18 108.000 108.000 108.171 -0.171 18551 4450 1 14 . 1 1 18 18 GLY C C 18 174.400 174.400 173.619 0.781 18551 4451 1 14 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.932 0.468 18551 4452 1 14 . 1 1 19 19 VAL N N 19 119.100 119.100 122.280 -3.180 18551 4453 1 14 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.219 -0.129 18551 4454 1 14 . 1 1 19 19 VAL C C 19 176.400 176.400 175.162 1.238 18551 4455 1 14 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.842 0.658 18551 4456 1 14 . 1 1 19 19 VAL CB C 19 32.500 32.500 33.016 -0.515 18551 4457 1 14 . 1 1 20 20 LEU N N 20 125.100 125.100 122.966 2.134 18551 4458 1 14 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.701 -0.371 18551 4459 1 14 . 1 1 20 20 LEU C C 20 177.900 177.900 177.382 0.518 18551 4460 1 14 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.567 0.833 18551 4461 1 14 . 1 1 20 20 LEU CB C 20 42.200 42.200 43.408 -1.208 18551 4462 1 14 . 1 1 21 21 GLY N N 21 109.300 109.300 108.761 0.539 18551 4463 1 14 . 1 1 21 21 GLY C C 21 174.200 174.200 174.424 -0.224 18551 4464 1 14 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.210 1.190 18551 4465 1 14 . 1 1 22 22 LEU N N 22 121.600 121.600 122.346 -0.746 18551 4466 1 14 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.517 -0.147 18551 4467 1 14 . 1 1 22 22 LEU C C 22 177.600 177.600 177.255 0.345 18551 4468 1 14 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.671 0.529 18551 4469 1 14 . 1 1 22 22 LEU CB C 22 42.500 42.500 42.946 -0.446 18551 4470 1 14 . 1 1 23 23 SER N N 23 116.500 116.500 121.517 -5.017 18551 4471 1 14 . 1 1 23 23 SER HA H 23 4.440 4.440 4.550 -0.110 18551 4472 1 14 . 1 1 23 23 SER C C 23 174.300 174.300 174.300 0.000 18551 4473 1 14 . 1 1 23 23 SER CA C 23 58.300 58.300 58.203 0.097 18551 4474 1 14 . 1 1 23 23 SER CB C 23 63.800 63.800 62.769 1.031 18551 4475 1 14 . 1 1 24 24 ALA N N 24 126.000 126.000 128.889 -2.889 18551 4476 1 14 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.708 -0.358 18551 4477 1 14 . 1 1 24 24 ALA C C 24 177.700 177.700 176.413 1.287 18551 4478 1 14 . 1 1 24 24 ALA CA C 24 52.700 52.700 51.896 0.804 18551 4479 1 14 . 1 1 24 24 ALA CB C 24 19.400 19.400 20.362 -0.962 18551 4480 1 14 . 1 1 25 25 SER N N 25 114.700 114.700 116.580 -1.880 18551 4481 1 14 . 1 1 25 25 SER HA H 25 4.430 4.430 4.562 -0.132 18551 4482 1 14 . 1 1 25 25 SER C C 25 174.200 174.200 173.856 0.344 18551 4483 1 14 . 1 1 25 25 SER CA C 25 58.200 58.200 58.005 0.195 18551 4484 1 14 . 1 1 25 25 SER CB C 25 63.900 63.900 63.801 0.099 18551 4485 1 14 . 1 1 26 26 ALA N N 26 125.900 125.900 124.215 1.685 18551 4486 1 14 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.193 0.147 18551 4487 1 14 . 1 1 26 26 ALA C C 26 177.400 177.400 178.744 -1.344 18551 4488 1 14 . 1 1 26 26 ALA CA C 26 52.500 52.500 53.522 -1.022 18551 4489 1 14 . 1 1 26 26 ALA CB C 26 19.400 19.400 18.963 0.437 18551 4490 1 14 . 1 1 27 27 GLU N N 27 120.100 120.100 120.712 -0.612 18551 4491 1 14 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.508 -0.268 18551 4492 1 14 . 1 1 27 27 GLU C C 27 175.400 175.400 175.076 0.324 18551 4493 1 14 . 1 1 27 27 GLU CA C 27 56.200 56.200 54.965 1.235 18551 4494 1 14 . 1 1 27 27 GLU CB C 27 30.700 30.700 27.438 3.262 18551 4495 1 14 . 1 1 28 28 CYS N N 28 119.400 119.400 117.449 1.951 18551 4496 1 14 . 1 1 28 28 CYS HA H 28 4.590 4.590 3.952 0.638 18551 4497 1 14 . 1 1 28 28 CYS C C 28 173.000 173.000 173.932 -0.932 18551 4498 1 14 . 1 1 28 28 CYS CA C 28 57.900 57.900 60.800 -2.900 18551 4499 1 14 . 1 1 28 28 CYS CB C 28 28.700 28.700 27.591 1.109 18551 4500 1 14 . 1 1 29 29 HIS N N 29 124.500 124.500 119.202 5.298 18551 4501 1 14 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.579 0.061 18551 4502 1 14 . 1 1 29 29 HIS C C 29 174.700 174.700 175.023 -0.323 18551 4503 1 14 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.477 -1.177 18551 4504 1 14 . 1 1 29 29 HIS CB C 29 32.400 32.400 29.862 2.538 18551 4505 1 14 . 1 1 30 30 LEU N N 30 123.900 123.900 124.732 -0.832 18551 4506 1 14 . 1 1 30 30 LEU HA H 30 5.070 5.070 4.977 0.093 18551 4507 1 14 . 1 1 30 30 LEU C C 30 178.500 178.500 177.344 1.156 18551 4508 1 14 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.668 0.132 18551 4509 1 14 . 1 1 30 30 LEU CB C 30 43.700 43.700 43.444 0.256 18551 4510 1 14 . 1 1 31 31 CYS N N 31 126.700 126.700 125.088 1.612 18551 4511 1 14 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.716 0.094 18551 4512 1 14 . 1 1 31 31 CYS C C 31 53.800 53.800 175.509 -121.709 18551 4513 1 14 . 1 1 31 31 CYS CA C 31 57.100 57.100 56.576 0.524 18551 4514 1 14 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.804 3.496 18551 4515 1 14 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.197 0.263 18551 4516 1 14 . 1 1 32 32 PRO C C 32 176.000 176.000 176.638 -0.638 18551 4517 1 14 . 1 1 32 32 PRO CA C 32 64.000 64.000 64.819 -0.819 18551 4518 1 14 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.349 0.851 18551 4519 1 14 . 1 1 33 33 VAL N N 33 122.000 122.000 114.837 7.163 18551 4520 1 14 . 1 1 33 33 VAL HA H 33 3.810 3.810 3.956 -0.146 18551 4521 1 14 . 1 1 33 33 VAL C C 33 176.700 176.700 176.117 0.583 18551 4522 1 14 . 1 1 33 33 VAL CA C 33 64.800 64.800 63.239 1.562 18551 4523 1 14 . 1 1 33 33 VAL CB C 33 32.700 32.700 31.806 0.894 18551 4524 1 14 . 1 1 34 34 CYS N N 34 117.100 117.100 117.622 -0.522 18551 4525 1 14 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.776 0.394 18551 4526 1 14 . 1 1 34 34 CYS C C 34 176.800 176.800 174.915 1.885 18551 4527 1 14 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.881 1.619 18551 4528 1 14 . 1 1 34 34 CYS CB C 34 32.700 32.700 29.794 2.906 18551 4529 1 14 . 1 1 35 35 GLY N N 35 112.500 112.500 110.181 2.319 18551 4530 1 14 . 1 1 35 35 GLY C C 35 173.200 173.200 173.670 -0.470 18551 4531 1 14 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.528 -0.128 18551 4532 1 14 . 1 1 36 36 GLU N N 36 122.500 122.500 124.405 -1.905 18551 4533 1 14 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.091 -0.101 18551 4534 1 14 . 1 1 36 36 GLU C C 36 173.800 173.800 174.705 -0.905 18551 4535 1 14 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.077 2.823 18551 4536 1 14 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.110 -0.610 18551 4537 1 14 . 1 1 37 37 SER N N 37 116.300 116.300 120.512 -4.212 18551 4538 1 14 . 1 1 37 37 SER HA H 37 4.820 4.820 4.326 0.494 18551 4539 1 14 . 1 1 37 37 SER C C 37 173.300 173.300 173.351 -0.051 18551 4540 1 14 . 1 1 37 37 SER CA C 37 57.200 57.200 59.267 -2.067 18551 4541 1 14 . 1 1 37 37 SER CB C 37 65.300 65.300 63.438 1.862 18551 4542 1 14 . 1 1 38 38 PHE N N 38 120.000 120.000 122.070 -2.070 18551 4543 1 14 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.677 -0.027 18551 4544 1 14 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.616 -0.216 18551 4545 1 14 . 1 1 38 38 PHE CB C 38 44.000 44.000 42.228 1.772 18551 4546 1 14 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.375 0.215 18551 4547 1 14 . 1 1 39 39 ALA C C 39 176.700 176.700 177.647 -0.947 18551 4548 1 14 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.204 -0.504 18551 4549 1 14 . 1 1 39 39 ALA CB C 39 19.400 19.400 18.898 0.503 18551 4550 1 14 . 1 1 40 40 SER N N 40 107.500 107.500 114.862 -7.362 18551 4551 1 14 . 1 1 40 40 SER HA H 40 4.560 4.560 4.651 -0.091 18551 4552 1 14 . 1 1 40 40 SER C C 40 173.400 173.400 175.378 -1.978 18551 4553 1 14 . 1 1 40 40 SER CA C 40 56.100 56.100 57.497 -1.397 18551 4554 1 14 . 1 1 40 40 SER CB C 40 66.400 66.400 64.476 1.924 18551 4555 1 14 . 1 1 41 41 LYS N N 41 124.400 124.400 126.523 -2.123 18551 4556 1 14 . 1 1 41 41 LYS HA H 41 3.440 3.440 4.016 -0.576 18551 4557 1 14 . 1 1 41 41 LYS C C 41 178.600 178.600 178.774 -0.174 18551 4558 1 14 . 1 1 41 41 LYS CA C 41 58.200 58.200 59.106 -0.906 18551 4559 1 14 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.360 -0.260 18551 4560 1 14 . 1 1 42 42 GLY N N 42 105.900 105.900 106.587 -0.687 18551 4561 1 14 . 1 1 42 42 GLY C C 42 176.700 176.700 176.086 0.614 18551 4562 1 14 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.613 0.287 18551 4563 1 14 . 1 1 43 43 ALA N N 43 123.500 123.500 123.159 0.341 18551 4564 1 14 . 1 1 43 43 ALA HA H 43 4.050 4.050 4.038 0.012 18551 4565 1 14 . 1 1 43 43 ALA C C 43 179.700 179.700 178.923 0.777 18551 4566 1 14 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.299 0.401 18551 4567 1 14 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.271 0.529 18551 4568 1 14 . 1 1 44 44 GLN N N 44 121.800 121.800 117.829 3.971 18551 4569 1 14 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.323 -0.723 18551 4570 1 14 . 1 1 44 44 GLN C C 44 177.500 177.500 177.888 -0.388 18551 4571 1 14 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.516 0.884 18551 4572 1 14 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.564 -0.964 18551 4573 1 14 . 1 1 45 45 GLU N N 45 120.200 120.200 118.829 1.371 18551 4574 1 14 . 1 1 45 45 GLU HA H 45 3.770 3.770 3.931 -0.161 18551 4575 1 14 . 1 1 45 45 GLU C C 45 179.000 179.000 178.865 0.135 18551 4576 1 14 . 1 1 45 45 GLU CA C 45 59.900 59.900 59.003 0.897 18551 4577 1 14 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.189 0.211 18551 4578 1 14 . 1 1 46 46 ARG N N 46 119.900 119.900 117.832 2.068 18551 4579 1 14 . 1 1 46 46 ARG HA H 46 3.900 3.900 3.983 -0.083 18551 4580 1 14 . 1 1 46 46 ARG C C 46 177.800 177.800 178.596 -0.796 18551 4581 1 14 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.208 0.392 18551 4582 1 14 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.524 0.576 18551 4583 1 14 . 1 1 47 47 HIS N N 47 118.200 118.200 118.861 -0.661 18551 4584 1 14 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.337 -0.197 18551 4585 1 14 . 1 1 47 47 HIS C C 47 176.300 176.300 176.601 -0.301 18551 4586 1 14 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.483 0.117 18551 4587 1 14 . 1 1 47 47 HIS CB C 47 27.900 27.900 29.742 -1.842 18551 4588 1 14 . 1 1 48 48 LEU N N 48 120.000 120.000 119.256 0.744 18551 4589 1 14 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.403 -0.593 18551 4590 1 14 . 1 1 48 48 LEU C C 48 178.500 178.500 178.698 -0.198 18551 4591 1 14 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.610 1.590 18551 4592 1 14 . 1 1 48 48 LEU CB C 48 42.700 42.700 42.055 0.645 18551 4593 1 14 . 1 1 49 49 ARG N N 49 115.400 115.400 118.064 -2.664 18551 4594 1 14 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.089 -0.189 18551 4595 1 14 . 1 1 49 49 ARG C C 49 177.600 177.600 177.621 -0.021 18551 4596 1 14 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.378 0.322 18551 4597 1 14 . 1 1 49 49 ARG CB C 49 30.500 30.500 29.696 0.804 18551 4598 1 14 . 1 1 50 50 LEU N N 50 117.200 117.200 117.960 -0.760 18551 4599 1 14 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.131 0.069 18551 4600 1 14 . 1 1 50 50 LEU C C 50 179.000 179.000 178.199 0.801 18551 4601 1 14 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.794 0.006 18551 4602 1 14 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.264 0.436 18551 4603 1 14 . 1 1 51 51 LEU N N 51 117.800 117.800 115.505 2.295 18551 4604 1 14 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.296 -0.026 18551 4605 1 14 . 1 1 51 51 LEU C C 51 178.100 178.100 178.453 -0.353 18551 4606 1 14 . 1 1 51 51 LEU CA C 51 55.000 55.000 56.209 -1.208 18551 4607 1 14 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.694 -1.494 18551 4608 1 14 . 1 1 52 52 HIS N N 52 115.300 115.300 117.757 -2.457 18551 4609 1 14 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.718 0.642 18551 4610 1 14 . 1 1 52 52 HIS C C 52 175.000 175.000 174.505 0.495 18551 4611 1 14 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.322 -1.522 18551 4612 1 14 . 1 1 52 52 HIS CB C 52 28.900 28.900 28.960 -0.060 18551 4613 1 14 . 1 1 53 53 ALA N N 53 122.100 122.100 123.305 -1.205 18551 4614 1 14 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.174 -0.104 18551 4615 1 14 . 1 1 53 53 ALA C C 53 178.300 178.300 178.115 0.185 18551 4616 1 14 . 1 1 53 53 ALA CA C 53 54.600 54.600 53.567 1.033 18551 4617 1 14 . 1 1 53 53 ALA CB C 53 18.600 18.600 18.721 -0.121 18551 4618 1 14 . 1 1 54 54 ALA N N 54 118.200 118.200 120.724 -2.524 18551 4619 1 14 . 1 1 54 54 ALA HA H 54 4.290 4.290 3.972 0.318 18551 4620 1 14 . 1 1 54 54 ALA C C 54 177.700 177.700 178.879 -1.179 18551 4621 1 14 . 1 1 54 54 ALA CA C 54 52.800 52.800 54.435 -1.635 18551 4622 1 14 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.500 0.500 18551 4623 1 14 . 1 1 55 55 GLN N N 55 118.200 118.200 114.735 3.465 18551 4624 1 14 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.323 0.057 18551 4625 1 14 . 1 1 55 55 GLN C C 55 173.700 173.700 175.860 -2.160 18551 4626 1 14 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.505 -0.005 18551 4627 1 14 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.735 0.565 18551 4628 1 14 . 1 1 56 56 VAL N N 56 115.300 115.300 112.844 2.456 18551 4629 1 14 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.239 0.171 18551 4630 1 14 . 1 1 56 56 VAL C C 56 174.500 174.500 174.258 0.242 18551 4631 1 14 . 1 1 56 56 VAL CA C 56 60.900 60.900 60.016 0.884 18551 4632 1 14 . 1 1 56 56 VAL CB C 56 33.900 33.900 33.926 -0.026 18551 4633 1 14 . 1 1 57 57 PHE N N 57 122.700 122.700 118.946 3.754 18551 4634 1 14 . 1 1 57 57 PHE HA H 57 4.830 4.830 5.082 -0.252 18551 4635 1 14 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.105 0.095 18551 4636 1 14 . 1 1 57 57 PHE CB C 57 40.000 40.000 39.883 0.117 18551 4637 1 14 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.813 -0.093 18551 4638 1 14 . 1 1 58 58 PRO C C 58 175.700 175.700 176.728 -1.028 18551 4639 1 14 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.392 -0.292 18551 4640 1 14 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.536 0.764 18551 4641 1 14 . 1 1 59 59 CYS N N 59 125.200 125.200 126.318 -1.118 18551 4642 1 14 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.359 0.061 18551 4643 1 14 . 1 1 59 59 CYS C C 59 176.300 176.300 176.765 -0.465 18551 4644 1 14 . 1 1 59 59 CYS CA C 59 60.800 60.800 59.254 1.546 18551 4645 1 14 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.474 2.026 18551 4646 1 14 . 1 1 60 60 LYS N N 60 126.400 126.400 128.455 -2.055 18551 4647 1 14 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.987 0.173 18551 4648 1 14 . 1 1 60 60 LYS C C 60 176.800 176.800 176.108 0.692 18551 4649 1 14 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.885 -1.785 18551 4650 1 14 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.621 0.779 18551 4651 1 14 . 1 1 61 61 TYR N N 61 121.900 121.900 117.892 4.008 18551 4652 1 14 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.633 -0.123 18551 4653 1 14 . 1 1 61 61 TYR C C 61 174.300 174.300 176.337 -2.037 18551 4654 1 14 . 1 1 61 61 TYR CA C 61 57.700 57.700 58.074 -0.374 18551 4655 1 14 . 1 1 61 61 TYR CB C 61 38.000 38.000 39.088 -1.088 18551 4656 1 14 . 1 1 62 62 CYS N N 62 122.800 122.800 117.761 5.039 18551 4657 1 14 . 1 1 62 62 CYS HA H 62 5.070 5.070 5.128 -0.058 18551 4658 1 14 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.236 2.964 18551 4659 1 14 . 1 1 62 62 CYS CB C 62 29.600 29.600 30.189 -0.589 18551 4660 1 14 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.343 0.227 18551 4661 1 14 . 1 1 63 63 PRO C C 63 176.500 176.500 175.635 0.865 18551 4662 1 14 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.787 0.313 18551 4663 1 14 . 1 1 63 63 PRO CB C 63 31.900 31.900 30.496 1.404 18551 4664 1 14 . 1 1 64 64 ALA N N 64 125.400 125.400 127.174 -1.774 18551 4665 1 14 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.456 -0.426 18551 4666 1 14 . 1 1 64 64 ALA C C 64 176.100 176.100 175.323 0.777 18551 4667 1 14 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.908 1.992 18551 4668 1 14 . 1 1 64 64 ALA CB C 64 20.200 20.200 21.878 -1.678 18551 4669 1 14 . 1 1 65 65 THR N N 65 113.200 113.200 116.543 -3.343 18551 4670 1 14 . 1 1 65 65 THR HA H 65 4.440 4.440 4.475 -0.035 18551 4671 1 14 . 1 1 65 65 THR C C 65 171.400 171.400 173.760 -2.360 18551 4672 1 14 . 1 1 65 65 THR CA C 65 61.400 61.400 60.957 0.443 18551 4673 1 14 . 1 1 65 65 THR CB C 65 71.600 71.600 69.312 2.288 18551 4674 1 14 . 1 1 66 66 PHE N N 66 120.900 120.900 124.636 -3.736 18551 4675 1 14 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.828 -0.408 18551 4676 1 14 . 1 1 66 66 PHE CA C 66 57.200 57.200 57.089 0.111 18551 4677 1 14 . 1 1 66 66 PHE CB C 66 42.700 42.700 42.211 0.489 18551 4678 1 14 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.637 0.643 18551 4679 1 14 . 1 1 67 67 TYR C C 67 174.800 174.800 174.453 0.347 18551 4680 1 14 . 1 1 67 67 TYR CA C 67 57.800 57.800 59.086 -1.286 18551 4681 1 14 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.930 -0.430 18551 4682 1 14 . 1 1 68 68 SER N N 68 112.800 112.800 113.405 -0.605 18551 4683 1 14 . 1 1 68 68 SER HA H 68 4.440 4.440 4.632 -0.192 18551 4684 1 14 . 1 1 68 68 SER C C 68 172.200 172.200 174.445 -2.245 18551 4685 1 14 . 1 1 68 68 SER CA C 68 57.000 57.000 56.825 0.175 18551 4686 1 14 . 1 1 68 68 SER CB C 68 66.400 66.400 66.760 -0.360 18551 4687 1 14 . 1 1 69 69 SER N N 69 117.800 117.800 119.408 -1.608 18551 4688 1 14 . 1 1 69 69 SER HA H 69 3.630 3.630 3.569 0.061 18551 4689 1 14 . 1 1 69 69 SER CA C 69 61.900 61.900 62.372 -0.472 18551 4690 1 14 . 1 1 69 69 SER CB C 69 60.900 60.900 60.997 -0.097 18551 4691 1 14 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.292 -0.032 18551 4692 1 14 . 1 1 70 70 PRO C C 70 179.000 179.000 178.570 0.430 18551 4693 1 14 . 1 1 70 70 PRO CA C 70 65.700 65.700 64.994 0.706 18551 4694 1 14 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.374 -0.374 18551 4695 1 14 . 1 1 71 71 GLY N N 71 105.000 105.000 106.487 -1.487 18551 4696 1 14 . 1 1 71 71 GLY C C 71 175.700 175.700 175.809 -0.109 18551 4697 1 14 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.318 0.382 18551 4698 1 14 . 1 1 72 72 LEU N N 72 123.600 123.600 121.345 2.255 18551 4699 1 14 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.905 -0.415 18551 4700 1 14 . 1 1 72 72 LEU C C 72 177.900 177.900 178.559 -0.659 18551 4701 1 14 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.777 0.023 18551 4702 1 14 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.637 -1.337 18551 4703 1 14 . 1 1 73 73 THR N N 73 117.100 117.100 113.206 3.894 18551 4704 1 14 . 1 1 73 73 THR HA H 73 3.710 3.710 4.010 -0.300 18551 4705 1 14 . 1 1 73 73 THR C C 73 176.100 176.100 176.611 -0.511 18551 4706 1 14 . 1 1 73 73 THR CA C 73 67.300 67.300 66.762 0.538 18551 4707 1 14 . 1 1 73 73 THR CB C 73 68.700 68.700 68.385 0.315 18551 4708 1 14 . 1 1 74 74 ARG N N 74 120.200 120.200 121.032 -0.832 18551 4709 1 14 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.989 -0.009 18551 4710 1 14 . 1 1 74 74 ARG C C 74 178.500 178.500 178.273 0.227 18551 4711 1 14 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.096 0.504 18551 4712 1 14 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.848 0.252 18551 4713 1 14 . 1 1 75 75 HIS N N 75 118.700 118.700 119.751 -1.051 18551 4714 1 14 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.427 -0.157 18551 4715 1 14 . 1 1 75 75 HIS C C 75 176.900 176.900 177.389 -0.489 18551 4716 1 14 . 1 1 75 75 HIS CA C 75 59.600 59.600 60.151 -0.551 18551 4717 1 14 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.372 -1.472 18551 4718 1 14 . 1 1 76 76 ILE N N 76 121.600 121.600 118.642 2.958 18551 4719 1 14 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.899 -0.479 18551 4720 1 14 . 1 1 76 76 ILE C C 76 177.800 177.800 177.152 0.648 18551 4721 1 14 . 1 1 76 76 ILE CA C 76 66.300 66.300 64.587 1.713 18551 4722 1 14 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.959 0.041 18551 4723 1 14 . 1 1 77 77 ASN N N 77 115.900 115.900 116.355 -0.455 18551 4724 1 14 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.560 -0.290 18551 4725 1 14 . 1 1 77 77 ASN C C 77 176.400 176.400 176.568 -0.168 18551 4726 1 14 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.339 0.461 18551 4727 1 14 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.466 -0.066 18551 4728 1 14 . 1 1 78 78 LYS N N 78 116.200 116.200 119.103 -2.903 18551 4729 1 14 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.213 -0.043 18551 4730 1 14 . 1 1 78 78 LYS C C 78 178.400 178.400 177.186 1.214 18551 4731 1 14 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.648 -0.548 18551 4732 1 14 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.532 0.468 18551 4733 1 14 . 1 1 79 79 CYS N N 79 113.900 113.900 116.966 -3.066 18551 4734 1 14 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.558 -0.468 18551 4735 1 14 . 1 1 79 79 CYS C C 79 174.200 174.200 173.988 0.212 18551 4736 1 14 . 1 1 79 79 CYS CA C 79 60.700 60.700 59.038 1.662 18551 4737 1 14 . 1 1 79 79 CYS CB C 79 28.000 28.000 28.569 -0.569 18551 4738 1 14 . 1 1 80 80 HIS N N 80 117.000 117.000 120.628 -3.628 18551 4739 1 14 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.962 0.318 18551 4740 1 14 . 1 1 80 80 HIS CA C 80 51.700 51.700 52.440 -0.740 18551 4741 1 14 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.317 -2.617 18551 4742 1 14 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.737 -0.417 18551 4743 1 14 . 1 1 81 81 PRO C C 81 178.100 178.100 177.247 0.853 18551 4744 1 14 . 1 1 81 81 PRO CA C 81 64.700 64.700 62.781 1.919 18551 4745 1 14 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.717 -1.217 18551 4746 1 14 . 1 1 82 82 SER N N 82 114.100 114.100 111.015 3.085 18551 4747 1 14 . 1 1 82 82 SER HA H 82 4.340 4.340 4.222 0.118 18551 4748 1 14 . 1 1 82 82 SER C C 82 174.900 174.900 173.898 1.002 18551 4749 1 14 . 1 1 82 82 SER CA C 82 59.000 59.000 60.447 -1.446 18551 4750 1 14 . 1 1 82 82 SER CB C 82 63.300 63.300 62.539 0.761 18551 4751 1 14 . 1 1 83 83 GLU N N 83 120.600 120.600 120.994 -0.394 18551 4752 1 14 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.268 -0.038 18551 4753 1 14 . 1 1 83 83 GLU C C 83 176.300 176.300 176.931 -0.631 18551 4754 1 14 . 1 1 83 83 GLU CA C 83 56.100 56.100 55.878 0.222 18551 4755 1 14 . 1 1 83 83 GLU CB C 83 29.400 29.400 29.326 0.074 18551 4756 1 14 . 1 1 84 84 ASN N N 84 119.100 119.100 121.668 -2.568 18551 4757 1 14 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.371 0.339 18551 4758 1 14 . 1 1 84 84 ASN C C 84 174.100 174.100 174.243 -0.143 18551 4759 1 14 . 1 1 84 84 ASN CA C 84 53.200 53.200 53.607 -0.407 18551 4760 1 14 . 1 1 84 84 ASN CB C 84 39.000 39.000 38.942 0.058 18551 4761 1 15 . 1 1 11 11 MET HA H 11 4.440 4.440 4.657 -0.217 18551 4762 1 15 . 1 1 11 11 MET C C 11 176.600 176.600 174.100 2.500 18551 4763 1 15 . 1 1 11 11 MET CA C 11 55.600 55.600 54.977 0.623 18551 4764 1 15 . 1 1 11 11 MET CB C 11 32.700 32.700 34.660 -1.960 18551 4765 1 15 . 1 1 12 12 GLY N N 12 110.000 110.000 111.987 -1.987 18551 4766 1 15 . 1 1 12 12 GLY C C 12 173.900 173.900 172.405 1.495 18551 4767 1 15 . 1 1 12 12 GLY CA C 12 45.300 45.300 45.285 0.015 18551 4768 1 15 . 1 1 13 13 ASP N N 13 120.500 120.500 121.358 -0.858 18551 4769 1 15 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.836 -0.196 18551 4770 1 15 . 1 1 13 13 ASP C C 13 176.900 176.900 175.182 1.718 18551 4771 1 15 . 1 1 13 13 ASP CA C 13 54.500 54.500 54.008 0.492 18551 4772 1 15 . 1 1 13 13 ASP CB C 13 41.400 41.400 42.568 -1.168 18551 4773 1 15 . 1 1 14 14 GLY N N 14 109.300 109.300 111.532 -2.232 18551 4774 1 15 . 1 1 14 14 GLY C C 14 174.500 174.500 173.215 1.285 18551 4775 1 15 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.981 0.519 18551 4776 1 15 . 1 1 15 15 GLU N N 15 120.600 120.600 121.933 -1.333 18551 4777 1 15 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.594 -0.314 18551 4778 1 15 . 1 1 15 15 GLU C C 15 177.200 177.200 176.825 0.375 18551 4779 1 15 . 1 1 15 15 GLU CA C 15 56.800 56.800 55.922 0.878 18551 4780 1 15 . 1 1 15 15 GLU CB C 15 30.100 30.100 31.203 -1.103 18551 4781 1 15 . 1 1 16 16 GLY N N 16 109.900 109.900 108.698 1.202 18551 4782 1 15 . 1 1 16 16 GLY C C 16 174.100 174.100 173.893 0.207 18551 4783 1 15 . 1 1 16 16 GLY CA C 16 45.500 45.500 44.834 0.666 18551 4784 1 15 . 1 1 17 17 ALA N N 17 123.500 123.500 123.576 -0.076 18551 4785 1 15 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.553 -0.253 18551 4786 1 15 . 1 1 17 17 ALA C C 17 178.300 178.300 177.316 0.984 18551 4787 1 15 . 1 1 17 17 ALA CA C 17 52.800 52.800 52.315 0.485 18551 4788 1 15 . 1 1 17 17 ALA CB C 17 19.300 19.300 19.646 -0.346 18551 4789 1 15 . 1 1 18 18 GLY N N 18 108.000 108.000 111.210 -3.210 18551 4790 1 15 . 1 1 18 18 GLY C C 18 174.400 174.400 174.120 0.280 18551 4791 1 15 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.306 0.094 18551 4792 1 15 . 1 1 19 19 VAL N N 19 119.100 119.100 118.923 0.177 18551 4793 1 15 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.964 -0.874 18551 4794 1 15 . 1 1 19 19 VAL C C 19 176.400 176.400 175.633 0.767 18551 4795 1 15 . 1 1 19 19 VAL CA C 19 62.500 62.500 60.936 1.564 18551 4796 1 15 . 1 1 19 19 VAL CB C 19 32.500 32.500 33.404 -0.904 18551 4797 1 15 . 1 1 20 20 LEU N N 20 125.100 125.100 119.716 5.384 18551 4798 1 15 . 1 1 20 20 LEU HA H 20 4.330 4.330 5.395 -1.065 18551 4799 1 15 . 1 1 20 20 LEU C C 20 177.900 177.900 176.588 1.312 18551 4800 1 15 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.232 1.168 18551 4801 1 15 . 1 1 20 20 LEU CB C 20 42.200 42.200 44.159 -1.959 18551 4802 1 15 . 1 1 21 21 GLY N N 21 109.300 109.300 107.802 1.498 18551 4803 1 15 . 1 1 21 21 GLY C C 21 174.200 174.200 172.819 1.381 18551 4804 1 15 . 1 1 21 21 GLY CA C 21 45.400 45.400 45.138 0.262 18551 4805 1 15 . 1 1 22 22 LEU N N 22 121.600 121.600 122.762 -1.162 18551 4806 1 15 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.559 -0.189 18551 4807 1 15 . 1 1 22 22 LEU C C 22 177.600 177.600 176.489 1.111 18551 4808 1 15 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.533 0.667 18551 4809 1 15 . 1 1 22 22 LEU CB C 22 42.500 42.500 42.767 -0.267 18551 4810 1 15 . 1 1 23 23 SER N N 23 116.500 116.500 123.694 -7.194 18551 4811 1 15 . 1 1 23 23 SER HA H 23 4.440 4.440 4.540 -0.100 18551 4812 1 15 . 1 1 23 23 SER C C 23 174.300 174.300 173.337 0.963 18551 4813 1 15 . 1 1 23 23 SER CA C 23 58.300 58.300 57.761 0.539 18551 4814 1 15 . 1 1 23 23 SER CB C 23 63.800 63.800 62.620 1.180 18551 4815 1 15 . 1 1 24 24 ALA N N 24 126.000 126.000 126.791 -0.791 18551 4816 1 15 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.503 -0.153 18551 4817 1 15 . 1 1 24 24 ALA C C 24 177.700 177.700 177.058 0.642 18551 4818 1 15 . 1 1 24 24 ALA CA C 24 52.700 52.700 52.559 0.141 18551 4819 1 15 . 1 1 24 24 ALA CB C 24 19.400 19.400 19.474 -0.075 18551 4820 1 15 . 1 1 25 25 SER N N 25 114.700 114.700 116.897 -2.197 18551 4821 1 15 . 1 1 25 25 SER HA H 25 4.430 4.430 4.685 -0.255 18551 4822 1 15 . 1 1 25 25 SER C C 25 174.200 174.200 173.672 0.528 18551 4823 1 15 . 1 1 25 25 SER CA C 25 58.200 58.200 58.144 0.056 18551 4824 1 15 . 1 1 25 25 SER CB C 25 63.900 63.900 64.055 -0.155 18551 4825 1 15 . 1 1 26 26 ALA N N 26 125.900 125.900 125.492 0.408 18551 4826 1 15 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.489 -0.149 18551 4827 1 15 . 1 1 26 26 ALA C C 26 177.400 177.400 176.557 0.843 18551 4828 1 15 . 1 1 26 26 ALA CA C 26 52.500 52.500 52.194 0.306 18551 4829 1 15 . 1 1 26 26 ALA CB C 26 19.400 19.400 19.525 -0.125 18551 4830 1 15 . 1 1 27 27 GLU N N 27 120.100 120.100 121.403 -1.303 18551 4831 1 15 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.479 -0.239 18551 4832 1 15 . 1 1 27 27 GLU C C 27 175.400 175.400 174.935 0.465 18551 4833 1 15 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.124 0.076 18551 4834 1 15 . 1 1 27 27 GLU CB C 27 30.700 30.700 28.700 2.000 18551 4835 1 15 . 1 1 28 28 CYS N N 28 119.400 119.400 119.715 -0.315 18551 4836 1 15 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.548 0.042 18551 4837 1 15 . 1 1 28 28 CYS C C 28 173.000 173.000 173.373 -0.373 18551 4838 1 15 . 1 1 28 28 CYS CA C 28 57.900 57.900 58.818 -0.918 18551 4839 1 15 . 1 1 28 28 CYS CB C 28 28.700 28.700 31.167 -2.467 18551 4840 1 15 . 1 1 29 29 HIS N N 29 124.500 124.500 123.453 1.047 18551 4841 1 15 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.773 -0.133 18551 4842 1 15 . 1 1 29 29 HIS C C 29 174.700 174.700 174.104 0.596 18551 4843 1 15 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.439 -1.139 18551 4844 1 15 . 1 1 29 29 HIS CB C 29 32.400 32.400 30.301 2.099 18551 4845 1 15 . 1 1 30 30 LEU N N 30 123.900 123.900 125.004 -1.104 18551 4846 1 15 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.119 -0.049 18551 4847 1 15 . 1 1 30 30 LEU C C 30 178.500 178.500 177.116 1.384 18551 4848 1 15 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.297 0.503 18551 4849 1 15 . 1 1 30 30 LEU CB C 30 43.700 43.700 43.558 0.142 18551 4850 1 15 . 1 1 31 31 CYS N N 31 126.700 126.700 125.839 0.861 18551 4851 1 15 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.686 0.124 18551 4852 1 15 . 1 1 31 31 CYS C C 31 53.800 53.800 174.770 -120.970 18551 4853 1 15 . 1 1 31 31 CYS CA C 31 57.100 57.100 57.218 -0.118 18551 4854 1 15 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.536 3.764 18551 4855 1 15 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.130 0.330 18551 4856 1 15 . 1 1 32 32 PRO C C 32 176.000 176.000 176.576 -0.576 18551 4857 1 15 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.733 -1.733 18551 4858 1 15 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.722 0.478 18551 4859 1 15 . 1 1 33 33 VAL N N 33 122.000 122.000 113.315 8.685 18551 4860 1 15 . 1 1 33 33 VAL HA H 33 3.810 3.810 3.950 -0.140 18551 4861 1 15 . 1 1 33 33 VAL C C 33 176.700 176.700 176.080 0.620 18551 4862 1 15 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.988 1.812 18551 4863 1 15 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.108 0.592 18551 4864 1 15 . 1 1 34 34 CYS N N 34 117.100 117.100 118.045 -0.945 18551 4865 1 15 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.890 0.280 18551 4866 1 15 . 1 1 34 34 CYS C C 34 176.800 176.800 175.140 1.660 18551 4867 1 15 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.470 2.030 18551 4868 1 15 . 1 1 34 34 CYS CB C 34 32.700 32.700 29.503 3.197 18551 4869 1 15 . 1 1 35 35 GLY N N 35 112.500 112.500 109.566 2.934 18551 4870 1 15 . 1 1 35 35 GLY C C 35 173.200 173.200 173.652 -0.452 18551 4871 1 15 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.283 0.117 18551 4872 1 15 . 1 1 36 36 GLU N N 36 122.500 122.500 124.401 -1.901 18551 4873 1 15 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.160 -0.170 18551 4874 1 15 . 1 1 36 36 GLU C C 36 173.800 173.800 174.558 -0.758 18551 4875 1 15 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.235 2.665 18551 4876 1 15 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.443 -0.943 18551 4877 1 15 . 1 1 37 37 SER N N 37 116.300 116.300 121.438 -5.138 18551 4878 1 15 . 1 1 37 37 SER HA H 37 4.820 4.820 4.503 0.317 18551 4879 1 15 . 1 1 37 37 SER C C 37 173.300 173.300 173.492 -0.192 18551 4880 1 15 . 1 1 37 37 SER CA C 37 57.200 57.200 58.335 -1.135 18551 4881 1 15 . 1 1 37 37 SER CB C 37 65.300 65.300 63.434 1.866 18551 4882 1 15 . 1 1 38 38 PHE N N 38 120.000 120.000 122.956 -2.956 18551 4883 1 15 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.806 -0.156 18551 4884 1 15 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.037 0.363 18551 4885 1 15 . 1 1 38 38 PHE CB C 38 44.000 44.000 42.149 1.851 18551 4886 1 15 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.347 0.243 18551 4887 1 15 . 1 1 39 39 ALA C C 39 176.700 176.700 177.923 -1.223 18551 4888 1 15 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.699 -0.999 18551 4889 1 15 . 1 1 39 39 ALA CB C 39 19.400 19.400 18.943 0.457 18551 4890 1 15 . 1 1 40 40 SER N N 40 107.500 107.500 115.123 -7.623 18551 4891 1 15 . 1 1 40 40 SER HA H 40 4.560 4.560 4.444 0.116 18551 4892 1 15 . 1 1 40 40 SER C C 40 173.400 173.400 175.398 -1.998 18551 4893 1 15 . 1 1 40 40 SER CA C 40 56.100 56.100 57.628 -1.528 18551 4894 1 15 . 1 1 40 40 SER CB C 40 66.400 66.400 63.786 2.614 18551 4895 1 15 . 1 1 41 41 LYS N N 41 124.400 124.400 126.897 -2.497 18551 4896 1 15 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.944 -0.504 18551 4897 1 15 . 1 1 41 41 LYS C C 41 178.600 178.600 178.531 0.069 18551 4898 1 15 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.392 -0.193 18551 4899 1 15 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.343 -0.243 18551 4900 1 15 . 1 1 42 42 GLY N N 42 105.900 105.900 107.132 -1.232 18551 4901 1 15 . 1 1 42 42 GLY C C 42 176.700 176.700 175.808 0.892 18551 4902 1 15 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.488 0.412 18551 4903 1 15 . 1 1 43 43 ALA N N 43 123.500 123.500 123.104 0.396 18551 4904 1 15 . 1 1 43 43 ALA HA H 43 4.050 4.050 3.837 0.213 18551 4905 1 15 . 1 1 43 43 ALA C C 43 179.700 179.700 178.441 1.259 18551 4906 1 15 . 1 1 43 43 ALA CA C 43 54.700 54.700 53.909 0.791 18551 4907 1 15 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.209 0.591 18551 4908 1 15 . 1 1 44 44 GLN N N 44 121.800 121.800 118.816 2.984 18551 4909 1 15 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.771 -1.171 18551 4910 1 15 . 1 1 44 44 GLN C C 44 177.500 177.500 178.155 -0.655 18551 4911 1 15 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.586 0.814 18551 4912 1 15 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.882 -1.282 18551 4913 1 15 . 1 1 45 45 GLU N N 45 120.200 120.200 117.761 2.439 18551 4914 1 15 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.186 -0.416 18551 4915 1 15 . 1 1 45 45 GLU C C 45 179.000 179.000 178.135 0.865 18551 4916 1 15 . 1 1 45 45 GLU CA C 45 59.900 59.900 58.392 1.508 18551 4917 1 15 . 1 1 45 45 GLU CB C 45 29.400 29.400 28.796 0.604 18551 4918 1 15 . 1 1 46 46 ARG N N 46 119.900 119.900 119.987 -0.087 18551 4919 1 15 . 1 1 46 46 ARG HA H 46 3.900 3.900 3.864 0.036 18551 4920 1 15 . 1 1 46 46 ARG C C 46 177.800 177.800 177.855 -0.055 18551 4921 1 15 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.219 0.381 18551 4922 1 15 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.393 0.707 18551 4923 1 15 . 1 1 47 47 HIS N N 47 118.200 118.200 119.120 -0.920 18551 4924 1 15 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.449 -0.309 18551 4925 1 15 . 1 1 47 47 HIS C C 47 176.300 176.300 177.296 -0.996 18551 4926 1 15 . 1 1 47 47 HIS CA C 47 59.600 59.600 58.960 0.640 18551 4927 1 15 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.357 -2.457 18551 4928 1 15 . 1 1 48 48 LEU N N 48 120.000 120.000 119.595 0.405 18551 4929 1 15 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.029 -0.219 18551 4930 1 15 . 1 1 48 48 LEU C C 48 178.500 178.500 178.639 -0.139 18551 4931 1 15 . 1 1 48 48 LEU CA C 48 59.200 59.200 58.030 1.170 18551 4932 1 15 . 1 1 48 48 LEU CB C 48 42.700 42.700 41.983 0.717 18551 4933 1 15 . 1 1 49 49 ARG N N 49 115.400 115.400 117.231 -1.831 18551 4934 1 15 . 1 1 49 49 ARG HA H 49 3.900 3.900 3.945 -0.045 18551 4935 1 15 . 1 1 49 49 ARG C C 49 177.600 177.600 178.177 -0.577 18551 4936 1 15 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.648 0.052 18551 4937 1 15 . 1 1 49 49 ARG CB C 49 30.500 30.500 29.780 0.720 18551 4938 1 15 . 1 1 50 50 LEU N N 50 117.200 117.200 118.987 -1.787 18551 4939 1 15 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.084 0.116 18551 4940 1 15 . 1 1 50 50 LEU C C 50 179.000 179.000 178.372 0.628 18551 4941 1 15 . 1 1 50 50 LEU CA C 50 56.800 56.800 57.351 -0.551 18551 4942 1 15 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.445 0.255 18551 4943 1 15 . 1 1 51 51 LEU N N 51 117.800 117.800 114.497 3.303 18551 4944 1 15 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.336 -0.066 18551 4945 1 15 . 1 1 51 51 LEU C C 51 178.100 178.100 178.502 -0.402 18551 4946 1 15 . 1 1 51 51 LEU CA C 51 55.000 55.000 55.440 -0.440 18551 4947 1 15 . 1 1 51 51 LEU CB C 51 41.200 41.200 43.138 -1.938 18551 4948 1 15 . 1 1 52 52 HIS N N 52 115.300 115.300 117.700 -2.400 18551 4949 1 15 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.644 0.716 18551 4950 1 15 . 1 1 52 52 HIS C C 52 175.000 175.000 175.327 -0.327 18551 4951 1 15 . 1 1 52 52 HIS CA C 52 52.800 52.800 55.459 -2.659 18551 4952 1 15 . 1 1 52 52 HIS CB C 52 28.900 28.900 29.904 -1.004 18551 4953 1 15 . 1 1 53 53 ALA N N 53 122.100 122.100 121.876 0.224 18551 4954 1 15 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.208 -0.138 18551 4955 1 15 . 1 1 53 53 ALA C C 53 178.300 178.300 177.275 1.025 18551 4956 1 15 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.942 1.658 18551 4957 1 15 . 1 1 53 53 ALA CB C 53 18.600 18.600 18.432 0.168 18551 4958 1 15 . 1 1 54 54 ALA N N 54 118.200 118.200 119.220 -1.020 18551 4959 1 15 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.034 0.256 18551 4960 1 15 . 1 1 54 54 ALA C C 54 177.700 177.700 179.071 -1.371 18551 4961 1 15 . 1 1 54 54 ALA CA C 54 52.800 52.800 54.296 -1.496 18551 4962 1 15 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.706 0.294 18551 4963 1 15 . 1 1 55 55 GLN N N 55 118.200 118.200 115.397 2.803 18551 4964 1 15 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.410 -0.030 18551 4965 1 15 . 1 1 55 55 GLN C C 55 173.700 173.700 176.690 -2.990 18551 4966 1 15 . 1 1 55 55 GLN CA C 55 55.500 55.500 56.061 -0.561 18551 4967 1 15 . 1 1 55 55 GLN CB C 55 30.300 30.300 30.347 -0.047 18551 4968 1 15 . 1 1 56 56 VAL N N 56 115.300 115.300 114.297 1.003 18551 4969 1 15 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.146 0.264 18551 4970 1 15 . 1 1 56 56 VAL C C 56 174.500 174.500 174.883 -0.383 18551 4971 1 15 . 1 1 56 56 VAL CA C 56 60.900 60.900 60.911 -0.011 18551 4972 1 15 . 1 1 56 56 VAL CB C 56 33.900 33.900 32.804 1.096 18551 4973 1 15 . 1 1 57 57 PHE N N 57 122.700 122.700 121.410 1.290 18551 4974 1 15 . 1 1 57 57 PHE HA H 57 4.830 4.830 4.985 -0.155 18551 4975 1 15 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.222 -0.022 18551 4976 1 15 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.411 -0.411 18551 4977 1 15 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.643 0.077 18551 4978 1 15 . 1 1 58 58 PRO C C 58 175.700 175.700 176.156 -0.456 18551 4979 1 15 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.309 -0.209 18551 4980 1 15 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.676 0.624 18551 4981 1 15 . 1 1 59 59 CYS N N 59 125.200 125.200 125.598 -0.398 18551 4982 1 15 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.365 0.055 18551 4983 1 15 . 1 1 59 59 CYS C C 59 176.300 176.300 176.069 0.231 18551 4984 1 15 . 1 1 59 59 CYS CA C 59 60.800 60.800 58.433 2.367 18551 4985 1 15 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.215 2.285 18551 4986 1 15 . 1 1 60 60 LYS N N 60 126.400 126.400 128.015 -1.615 18551 4987 1 15 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.923 0.237 18551 4988 1 15 . 1 1 60 60 LYS C C 60 176.800 176.800 176.567 0.233 18551 4989 1 15 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.557 -1.457 18551 4990 1 15 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.913 0.487 18551 4991 1 15 . 1 1 61 61 TYR N N 61 121.900 121.900 116.131 5.769 18551 4992 1 15 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.293 0.217 18551 4993 1 15 . 1 1 61 61 TYR C C 61 174.300 174.300 176.040 -1.740 18551 4994 1 15 . 1 1 61 61 TYR CA C 61 57.700 57.700 58.486 -0.786 18551 4995 1 15 . 1 1 61 61 TYR CB C 61 38.000 38.000 37.861 0.140 18551 4996 1 15 . 1 1 62 62 CYS N N 62 122.800 122.800 115.558 7.242 18551 4997 1 15 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.872 0.198 18551 4998 1 15 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.419 2.781 18551 4999 1 15 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.140 0.460 18551 5000 1 15 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.249 0.321 18551 5001 1 15 . 1 1 63 63 PRO C C 63 176.500 176.500 175.980 0.520 18551 5002 1 15 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.195 0.905 18551 5003 1 15 . 1 1 63 63 PRO CB C 63 31.900 31.900 31.185 0.715 18551 5004 1 15 . 1 1 64 64 ALA N N 64 125.400 125.400 123.792 1.608 18551 5005 1 15 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.205 -0.175 18551 5006 1 15 . 1 1 64 64 ALA C C 64 176.100 176.100 175.763 0.337 18551 5007 1 15 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.251 2.649 18551 5008 1 15 . 1 1 64 64 ALA CB C 64 20.200 20.200 18.481 1.719 18551 5009 1 15 . 1 1 65 65 THR N N 65 113.200 113.200 119.656 -6.456 18551 5010 1 15 . 1 1 65 65 THR HA H 65 4.440 4.440 4.254 0.186 18551 5011 1 15 . 1 1 65 65 THR C C 65 171.400 171.400 173.289 -1.889 18551 5012 1 15 . 1 1 65 65 THR CA C 65 61.400 61.400 61.534 -0.134 18551 5013 1 15 . 1 1 65 65 THR CB C 65 71.600 71.600 69.204 2.396 18551 5014 1 15 . 1 1 66 66 PHE N N 66 120.900 120.900 126.024 -5.124 18551 5015 1 15 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.462 -0.042 18551 5016 1 15 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.643 0.557 18551 5017 1 15 . 1 1 66 66 PHE CB C 66 42.700 42.700 40.372 2.328 18551 5018 1 15 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.618 0.662 18551 5019 1 15 . 1 1 67 67 TYR C C 67 174.800 174.800 175.494 -0.694 18551 5020 1 15 . 1 1 67 67 TYR CA C 67 57.800 57.800 58.377 -0.577 18551 5021 1 15 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.194 -0.694 18551 5022 1 15 . 1 1 68 68 SER N N 68 112.800 112.800 113.270 -0.470 18551 5023 1 15 . 1 1 68 68 SER HA H 68 4.440 4.440 4.992 -0.552 18551 5024 1 15 . 1 1 68 68 SER C C 68 172.200 172.200 175.119 -2.919 18551 5025 1 15 . 1 1 68 68 SER CA C 68 57.000 57.000 56.850 0.150 18551 5026 1 15 . 1 1 68 68 SER CB C 68 66.400 66.400 66.413 -0.013 18551 5027 1 15 . 1 1 69 69 SER N N 69 117.800 117.800 120.288 -2.488 18551 5028 1 15 . 1 1 69 69 SER HA H 69 3.630 3.630 3.913 -0.283 18551 5029 1 15 . 1 1 69 69 SER CA C 69 61.900 61.900 61.702 0.198 18551 5030 1 15 . 1 1 69 69 SER CB C 69 60.900 60.900 60.865 0.035 18551 5031 1 15 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.220 0.040 18551 5032 1 15 . 1 1 70 70 PRO C C 70 179.000 179.000 178.907 0.093 18551 5033 1 15 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.959 -0.259 18551 5034 1 15 . 1 1 70 70 PRO CB C 70 31.000 31.000 30.981 0.019 18551 5035 1 15 . 1 1 71 71 GLY N N 71 105.000 105.000 105.094 -0.094 18551 5036 1 15 . 1 1 71 71 GLY C C 71 175.700 175.700 175.883 -0.183 18551 5037 1 15 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.442 0.258 18551 5038 1 15 . 1 1 72 72 LEU N N 72 123.600 123.600 122.179 1.421 18551 5039 1 15 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.885 -0.395 18551 5040 1 15 . 1 1 72 72 LEU C C 72 177.900 177.900 178.719 -0.819 18551 5041 1 15 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.410 0.390 18551 5042 1 15 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.693 -1.393 18551 5043 1 15 . 1 1 73 73 THR N N 73 117.100 117.100 115.171 1.929 18551 5044 1 15 . 1 1 73 73 THR HA H 73 3.710 3.710 3.848 -0.138 18551 5045 1 15 . 1 1 73 73 THR C C 73 176.100 176.100 176.816 -0.716 18551 5046 1 15 . 1 1 73 73 THR CA C 73 67.300 67.300 66.810 0.490 18551 5047 1 15 . 1 1 73 73 THR CB C 73 68.700 68.700 68.479 0.221 18551 5048 1 15 . 1 1 74 74 ARG N N 74 120.200 120.200 119.918 0.282 18551 5049 1 15 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.920 0.060 18551 5050 1 15 . 1 1 74 74 ARG C C 74 178.500 178.500 178.614 -0.114 18551 5051 1 15 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.785 -0.185 18551 5052 1 15 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.816 0.284 18551 5053 1 15 . 1 1 75 75 HIS N N 75 118.700 118.700 119.341 -0.641 18551 5054 1 15 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.455 -0.185 18551 5055 1 15 . 1 1 75 75 HIS C C 75 176.900 176.900 177.658 -0.758 18551 5056 1 15 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.495 0.105 18551 5057 1 15 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.631 -1.731 18551 5058 1 15 . 1 1 76 76 ILE N N 76 121.600 121.600 118.765 2.835 18551 5059 1 15 . 1 1 76 76 ILE HA H 76 3.420 3.420 4.158 -0.738 18551 5060 1 15 . 1 1 76 76 ILE C C 76 177.800 177.800 177.956 -0.156 18551 5061 1 15 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.218 1.082 18551 5062 1 15 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.652 0.348 18551 5063 1 15 . 1 1 77 77 ASN N N 77 115.900 115.900 117.467 -1.567 18551 5064 1 15 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.583 -0.313 18551 5065 1 15 . 1 1 77 77 ASN C C 77 176.400 176.400 176.328 0.072 18551 5066 1 15 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.736 0.064 18551 5067 1 15 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.821 -0.421 18551 5068 1 15 . 1 1 78 78 LYS N N 78 116.200 116.200 119.342 -3.142 18551 5069 1 15 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.241 -0.071 18551 5070 1 15 . 1 1 78 78 LYS C C 78 178.400 178.400 177.150 1.250 18551 5071 1 15 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.163 -0.063 18551 5072 1 15 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.657 0.343 18551 5073 1 15 . 1 1 79 79 CYS N N 79 113.900 113.900 116.374 -2.474 18551 5074 1 15 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.276 -0.186 18551 5075 1 15 . 1 1 79 79 CYS C C 79 174.200 174.200 174.919 -0.719 18551 5076 1 15 . 1 1 79 79 CYS CA C 79 60.700 60.700 59.302 1.398 18551 5077 1 15 . 1 1 79 79 CYS CB C 79 28.000 28.000 29.254 -1.254 18551 5078 1 15 . 1 1 80 80 HIS N N 80 117.000 117.000 117.005 -0.005 18551 5079 1 15 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.754 0.526 18551 5080 1 15 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.800 -2.100 18551 5081 1 15 . 1 1 80 80 HIS CB C 80 28.700 28.700 30.622 -1.922 18551 5082 1 15 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.963 -0.643 18551 5083 1 15 . 1 1 81 81 PRO C C 81 178.100 178.100 178.032 0.068 18551 5084 1 15 . 1 1 81 81 PRO CA C 81 64.700 64.700 62.888 1.812 18551 5085 1 15 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.564 -1.064 18551 5086 1 15 . 1 1 82 82 SER N N 82 114.100 114.100 115.521 -1.421 18551 5087 1 15 . 1 1 82 82 SER HA H 82 4.340 4.340 4.088 0.252 18551 5088 1 15 . 1 1 82 82 SER C C 82 174.900 174.900 173.534 1.366 18551 5089 1 15 . 1 1 82 82 SER CA C 82 59.000 59.000 59.413 -0.413 18551 5090 1 15 . 1 1 82 82 SER CB C 82 63.300 63.300 63.339 -0.039 18551 5091 1 15 . 1 1 83 83 GLU N N 83 120.600 120.600 119.967 0.633 18551 5092 1 15 . 1 1 83 83 GLU HA H 83 4.230 4.230 3.984 0.246 18551 5093 1 15 . 1 1 83 83 GLU C C 83 176.300 176.300 175.013 1.287 18551 5094 1 15 . 1 1 83 83 GLU CA C 83 56.100 56.100 57.192 -1.092 18551 5095 1 15 . 1 1 83 83 GLU CB C 83 29.400 29.400 27.062 2.338 18551 5096 1 15 . 1 1 84 84 ASN N N 84 119.100 119.100 118.418 0.682 18551 5097 1 15 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.861 -0.151 18551 5098 1 15 . 1 1 84 84 ASN C C 84 174.100 174.100 175.330 -1.230 18551 5099 1 15 . 1 1 84 84 ASN CA C 84 53.200 53.200 53.160 0.040 18551 5100 1 15 . 1 1 84 84 ASN CB C 84 39.000 39.000 39.766 -0.766 18551 5101 1 16 . 1 1 11 11 MET HA H 11 4.440 4.440 4.472 -0.032 18551 5102 1 16 . 1 1 11 11 MET C C 11 176.600 176.600 176.404 0.196 18551 5103 1 16 . 1 1 11 11 MET CA C 11 55.600 55.600 55.506 0.094 18551 5104 1 16 . 1 1 11 11 MET CB C 11 32.700 32.700 32.560 0.140 18551 5105 1 16 . 1 1 12 12 GLY N N 12 110.000 110.000 110.580 -0.580 18551 5106 1 16 . 1 1 12 12 GLY C C 12 173.900 173.900 173.157 0.743 18551 5107 1 16 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.481 0.819 18551 5108 1 16 . 1 1 13 13 ASP N N 13 120.500 120.500 120.560 -0.060 18551 5109 1 16 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.673 -0.033 18551 5110 1 16 . 1 1 13 13 ASP C C 13 176.900 176.900 175.869 1.031 18551 5111 1 16 . 1 1 13 13 ASP CA C 13 54.500 54.500 53.623 0.877 18551 5112 1 16 . 1 1 13 13 ASP CB C 13 41.400 41.400 42.474 -1.074 18551 5113 1 16 . 1 1 14 14 GLY N N 14 109.300 109.300 111.010 -1.710 18551 5114 1 16 . 1 1 14 14 GLY C C 14 174.500 174.500 174.701 -0.201 18551 5115 1 16 . 1 1 14 14 GLY CA C 14 45.500 45.500 45.092 0.408 18551 5116 1 16 . 1 1 15 15 GLU N N 15 120.600 120.600 122.596 -1.996 18551 5117 1 16 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.367 -0.087 18551 5118 1 16 . 1 1 15 15 GLU C C 15 177.200 177.200 176.826 0.374 18551 5119 1 16 . 1 1 15 15 GLU CA C 15 56.800 56.800 55.800 1.000 18551 5120 1 16 . 1 1 15 15 GLU CB C 15 30.100 30.100 31.196 -1.096 18551 5121 1 16 . 1 1 16 16 GLY N N 16 109.900 109.900 108.343 1.557 18551 5122 1 16 . 1 1 16 16 GLY C C 16 174.100 174.100 173.799 0.301 18551 5123 1 16 . 1 1 16 16 GLY CA C 16 45.500 45.500 45.038 0.462 18551 5124 1 16 . 1 1 17 17 ALA N N 17 123.500 123.500 125.079 -1.579 18551 5125 1 16 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.481 -0.181 18551 5126 1 16 . 1 1 17 17 ALA C C 17 178.300 178.300 176.951 1.349 18551 5127 1 16 . 1 1 17 17 ALA CA C 17 52.800 52.800 52.583 0.217 18551 5128 1 16 . 1 1 17 17 ALA CB C 17 19.300 19.300 19.447 -0.147 18551 5129 1 16 . 1 1 18 18 GLY N N 18 108.000 108.000 108.534 -0.534 18551 5130 1 16 . 1 1 18 18 GLY C C 18 174.400 174.400 173.713 0.687 18551 5131 1 16 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.352 1.048 18551 5132 1 16 . 1 1 19 19 VAL N N 19 119.100 119.100 121.831 -2.731 18551 5133 1 16 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.483 -0.393 18551 5134 1 16 . 1 1 19 19 VAL C C 19 176.400 176.400 174.853 1.547 18551 5135 1 16 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.402 1.098 18551 5136 1 16 . 1 1 19 19 VAL CB C 19 32.500 32.500 33.000 -0.500 18551 5137 1 16 . 1 1 20 20 LEU N N 20 125.100 125.100 118.670 6.430 18551 5138 1 16 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.861 -0.531 18551 5139 1 16 . 1 1 20 20 LEU C C 20 177.900 177.900 175.967 1.933 18551 5140 1 16 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.563 0.837 18551 5141 1 16 . 1 1 20 20 LEU CB C 20 42.200 42.200 43.385 -1.185 18551 5142 1 16 . 1 1 21 21 GLY N N 21 109.300 109.300 107.961 1.339 18551 5143 1 16 . 1 1 21 21 GLY C C 21 174.200 174.200 174.406 -0.206 18551 5144 1 16 . 1 1 21 21 GLY CA C 21 45.400 45.400 45.273 0.127 18551 5145 1 16 . 1 1 22 22 LEU N N 22 121.600 121.600 120.945 0.655 18551 5146 1 16 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.235 0.135 18551 5147 1 16 . 1 1 22 22 LEU C C 22 177.600 177.600 178.018 -0.418 18551 5148 1 16 . 1 1 22 22 LEU CA C 22 55.200 55.200 55.448 -0.248 18551 5149 1 16 . 1 1 22 22 LEU CB C 22 42.500 42.500 41.504 0.996 18551 5150 1 16 . 1 1 23 23 SER N N 23 116.500 116.500 116.295 0.205 18551 5151 1 16 . 1 1 23 23 SER HA H 23 4.440 4.440 4.342 0.098 18551 5152 1 16 . 1 1 23 23 SER C C 23 174.300 174.300 173.323 0.977 18551 5153 1 16 . 1 1 23 23 SER CA C 23 58.300 58.300 58.741 -0.441 18551 5154 1 16 . 1 1 23 23 SER CB C 23 63.800 63.800 62.420 1.380 18551 5155 1 16 . 1 1 24 24 ALA N N 24 126.000 126.000 128.888 -2.888 18551 5156 1 16 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.484 -0.134 18551 5157 1 16 . 1 1 24 24 ALA C C 24 177.700 177.700 176.230 1.470 18551 5158 1 16 . 1 1 24 24 ALA CA C 24 52.700 52.700 52.295 0.405 18551 5159 1 16 . 1 1 24 24 ALA CB C 24 19.400 19.400 20.329 -0.929 18551 5160 1 16 . 1 1 25 25 SER N N 25 114.700 114.700 112.125 2.575 18551 5161 1 16 . 1 1 25 25 SER HA H 25 4.430 4.430 4.213 0.217 18551 5162 1 16 . 1 1 25 25 SER C C 25 174.200 174.200 173.386 0.814 18551 5163 1 16 . 1 1 25 25 SER CA C 25 58.200 58.200 58.892 -0.692 18551 5164 1 16 . 1 1 25 25 SER CB C 25 63.900 63.900 62.690 1.210 18551 5165 1 16 . 1 1 26 26 ALA N N 26 125.900 125.900 122.210 3.690 18551 5166 1 16 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.531 -0.191 18551 5167 1 16 . 1 1 26 26 ALA C C 26 177.400 177.400 176.430 0.970 18551 5168 1 16 . 1 1 26 26 ALA CA C 26 52.500 52.500 51.423 1.077 18551 5169 1 16 . 1 1 26 26 ALA CB C 26 19.400 19.400 20.562 -1.162 18551 5170 1 16 . 1 1 27 27 GLU N N 27 120.100 120.100 124.272 -4.172 18551 5171 1 16 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.262 -0.022 18551 5172 1 16 . 1 1 27 27 GLU C C 27 175.400 175.400 175.934 -0.534 18551 5173 1 16 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.477 -0.277 18551 5174 1 16 . 1 1 27 27 GLU CB C 27 30.700 30.700 28.842 1.858 18551 5175 1 16 . 1 1 28 28 CYS N N 28 119.400 119.400 121.675 -2.275 18551 5176 1 16 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.608 -0.018 18551 5177 1 16 . 1 1 28 28 CYS C C 28 173.000 173.000 173.752 -0.752 18551 5178 1 16 . 1 1 28 28 CYS CA C 28 57.900 57.900 57.120 0.780 18551 5179 1 16 . 1 1 28 28 CYS CB C 28 28.700 28.700 31.443 -2.743 18551 5180 1 16 . 1 1 29 29 HIS N N 29 124.500 124.500 121.198 3.302 18551 5181 1 16 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.577 0.063 18551 5182 1 16 . 1 1 29 29 HIS C C 29 174.700 174.700 174.557 0.143 18551 5183 1 16 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.721 -1.421 18551 5184 1 16 . 1 1 29 29 HIS CB C 29 32.400 32.400 28.835 3.564 18551 5185 1 16 . 1 1 30 30 LEU N N 30 123.900 123.900 125.585 -1.685 18551 5186 1 16 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.009 0.061 18551 5187 1 16 . 1 1 30 30 LEU C C 30 178.500 178.500 177.463 1.037 18551 5188 1 16 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.583 0.217 18551 5189 1 16 . 1 1 30 30 LEU CB C 30 43.700 43.700 43.686 0.014 18551 5190 1 16 . 1 1 31 31 CYS N N 31 126.700 126.700 125.842 0.858 18551 5191 1 16 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.779 0.031 18551 5192 1 16 . 1 1 31 31 CYS C C 31 53.800 53.800 175.364 -121.564 18551 5193 1 16 . 1 1 31 31 CYS CA C 31 57.100 57.100 56.256 0.844 18551 5194 1 16 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.617 3.683 18551 5195 1 16 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.207 0.253 18551 5196 1 16 . 1 1 32 32 PRO C C 32 176.000 176.000 176.500 -0.500 18551 5197 1 16 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.089 -1.089 18551 5198 1 16 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.378 0.822 18551 5199 1 16 . 1 1 33 33 VAL N N 33 122.000 122.000 113.906 8.094 18551 5200 1 16 . 1 1 33 33 VAL HA H 33 3.810 3.810 3.976 -0.166 18551 5201 1 16 . 1 1 33 33 VAL C C 33 176.700 176.700 176.018 0.682 18551 5202 1 16 . 1 1 33 33 VAL CA C 33 64.800 64.800 63.061 1.739 18551 5203 1 16 . 1 1 33 33 VAL CB C 33 32.700 32.700 31.750 0.951 18551 5204 1 16 . 1 1 34 34 CYS N N 34 117.100 117.100 117.850 -0.750 18551 5205 1 16 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.833 0.337 18551 5206 1 16 . 1 1 34 34 CYS C C 34 176.800 176.800 174.942 1.858 18551 5207 1 16 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.837 1.663 18551 5208 1 16 . 1 1 34 34 CYS CB C 34 32.700 32.700 29.904 2.796 18551 5209 1 16 . 1 1 35 35 GLY N N 35 112.500 112.500 110.209 2.291 18551 5210 1 16 . 1 1 35 35 GLY C C 35 173.200 173.200 173.043 0.157 18551 5211 1 16 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.012 0.388 18551 5212 1 16 . 1 1 36 36 GLU N N 36 122.500 122.500 124.899 -2.399 18551 5213 1 16 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.522 -0.532 18551 5214 1 16 . 1 1 36 36 GLU C C 36 173.800 173.800 174.415 -0.615 18551 5215 1 16 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.757 2.143 18551 5216 1 16 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.977 -1.477 18551 5217 1 16 . 1 1 37 37 SER N N 37 116.300 116.300 121.428 -5.128 18551 5218 1 16 . 1 1 37 37 SER HA H 37 4.820 4.820 4.856 -0.036 18551 5219 1 16 . 1 1 37 37 SER C C 37 173.300 173.300 173.720 -0.420 18551 5220 1 16 . 1 1 37 37 SER CA C 37 57.200 57.200 57.411 -0.211 18551 5221 1 16 . 1 1 37 37 SER CB C 37 65.300 65.300 64.108 1.192 18551 5222 1 16 . 1 1 38 38 PHE N N 38 120.000 120.000 123.337 -3.337 18551 5223 1 16 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.870 -0.220 18551 5224 1 16 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.410 -0.010 18551 5225 1 16 . 1 1 38 38 PHE CB C 38 44.000 44.000 42.798 1.202 18551 5226 1 16 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.254 0.336 18551 5227 1 16 . 1 1 39 39 ALA C C 39 176.700 176.700 176.762 -0.062 18551 5228 1 16 . 1 1 39 39 ALA CA C 39 52.700 52.700 54.160 -1.460 18551 5229 1 16 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.126 0.274 18551 5230 1 16 . 1 1 40 40 SER N N 40 107.500 107.500 110.780 -3.280 18551 5231 1 16 . 1 1 40 40 SER HA H 40 4.560 4.560 4.449 0.111 18551 5232 1 16 . 1 1 40 40 SER C C 40 173.400 173.400 175.081 -1.681 18551 5233 1 16 . 1 1 40 40 SER CA C 40 56.100 56.100 56.700 -0.600 18551 5234 1 16 . 1 1 40 40 SER CB C 40 66.400 66.400 66.193 0.207 18551 5235 1 16 . 1 1 41 41 LYS N N 41 124.400 124.400 121.900 2.500 18551 5236 1 16 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.768 -0.328 18551 5237 1 16 . 1 1 41 41 LYS C C 41 178.600 178.600 177.777 0.823 18551 5238 1 16 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.213 -0.013 18551 5239 1 16 . 1 1 41 41 LYS CB C 41 32.100 32.100 31.768 0.332 18551 5240 1 16 . 1 1 42 42 GLY N N 42 105.900 105.900 108.378 -2.478 18551 5241 1 16 . 1 1 42 42 GLY C C 42 176.700 176.700 175.292 1.408 18551 5242 1 16 . 1 1 42 42 GLY CA C 42 46.900 46.900 45.586 1.314 18551 5243 1 16 . 1 1 43 43 ALA N N 43 123.500 123.500 123.383 0.117 18551 5244 1 16 . 1 1 43 43 ALA HA H 43 4.050 4.050 3.727 0.323 18551 5245 1 16 . 1 1 43 43 ALA C C 43 179.700 179.700 178.310 1.390 18551 5246 1 16 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.136 0.564 18551 5247 1 16 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.149 0.650 18551 5248 1 16 . 1 1 44 44 GLN N N 44 121.800 121.800 118.569 3.231 18551 5249 1 16 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.600 -1.000 18551 5250 1 16 . 1 1 44 44 GLN C C 44 177.500 177.500 177.787 -0.287 18551 5251 1 16 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.671 0.729 18551 5252 1 16 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.855 -1.256 18551 5253 1 16 . 1 1 45 45 GLU N N 45 120.200 120.200 118.246 1.954 18551 5254 1 16 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.097 -0.327 18551 5255 1 16 . 1 1 45 45 GLU C C 45 179.000 179.000 178.849 0.151 18551 5256 1 16 . 1 1 45 45 GLU CA C 45 59.900 59.900 58.441 1.459 18551 5257 1 16 . 1 1 45 45 GLU CB C 45 29.400 29.400 28.709 0.691 18551 5258 1 16 . 1 1 46 46 ARG N N 46 119.900 119.900 117.923 1.977 18551 5259 1 16 . 1 1 46 46 ARG HA H 46 3.900 3.900 4.030 -0.130 18551 5260 1 16 . 1 1 46 46 ARG C C 46 177.800 177.800 177.508 0.292 18551 5261 1 16 . 1 1 46 46 ARG CA C 46 59.600 59.600 58.826 0.774 18551 5262 1 16 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.648 0.452 18551 5263 1 16 . 1 1 47 47 HIS N N 47 118.200 118.200 120.290 -2.090 18551 5264 1 16 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.389 -0.249 18551 5265 1 16 . 1 1 47 47 HIS C C 47 176.300 176.300 177.130 -0.830 18551 5266 1 16 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.788 -0.189 18551 5267 1 16 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.715 -2.815 18551 5268 1 16 . 1 1 48 48 LEU N N 48 120.000 120.000 118.499 1.501 18551 5269 1 16 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.162 -0.352 18551 5270 1 16 . 1 1 48 48 LEU C C 48 178.500 178.500 178.889 -0.389 18551 5271 1 16 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.951 1.249 18551 5272 1 16 . 1 1 48 48 LEU CB C 48 42.700 42.700 41.778 0.922 18551 5273 1 16 . 1 1 49 49 ARG N N 49 115.400 115.400 118.155 -2.755 18551 5274 1 16 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.073 -0.173 18551 5275 1 16 . 1 1 49 49 ARG C C 49 177.600 177.600 177.438 0.162 18551 5276 1 16 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.811 -0.111 18551 5277 1 16 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.538 -0.038 18551 5278 1 16 . 1 1 50 50 LEU N N 50 117.200 117.200 116.576 0.624 18551 5279 1 16 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.380 -0.180 18551 5280 1 16 . 1 1 50 50 LEU C C 50 179.000 179.000 178.824 0.176 18551 5281 1 16 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.017 0.782 18551 5282 1 16 . 1 1 50 50 LEU CB C 50 42.700 42.700 43.099 -0.399 18551 5283 1 16 . 1 1 51 51 LEU N N 51 117.800 117.800 114.592 3.208 18551 5284 1 16 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.125 0.145 18551 5285 1 16 . 1 1 51 51 LEU C C 51 178.100 178.100 177.081 1.019 18551 5286 1 16 . 1 1 51 51 LEU CA C 51 55.000 55.000 55.260 -0.260 18551 5287 1 16 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.046 -0.846 18551 5288 1 16 . 1 1 52 52 HIS N N 52 115.300 115.300 115.055 0.245 18551 5289 1 16 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.768 0.592 18551 5290 1 16 . 1 1 52 52 HIS C C 52 175.000 175.000 174.885 0.115 18551 5291 1 16 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.801 -2.001 18551 5292 1 16 . 1 1 52 52 HIS CB C 52 28.900 28.900 30.917 -2.017 18551 5293 1 16 . 1 1 53 53 ALA N N 53 122.100 122.100 123.178 -1.078 18551 5294 1 16 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.357 -0.287 18551 5295 1 16 . 1 1 53 53 ALA C C 53 178.300 178.300 178.363 -0.063 18551 5296 1 16 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.343 0.257 18551 5297 1 16 . 1 1 53 53 ALA CB C 53 18.600 18.600 19.026 -0.426 18551 5298 1 16 . 1 1 54 54 ALA N N 54 118.200 118.200 118.170 0.030 18551 5299 1 16 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.013 0.277 18551 5300 1 16 . 1 1 54 54 ALA C C 54 177.700 177.700 177.989 -0.289 18551 5301 1 16 . 1 1 54 54 ALA CA C 54 52.800 52.800 53.634 -0.834 18551 5302 1 16 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.086 0.914 18551 5303 1 16 . 1 1 55 55 GLN N N 55 118.200 118.200 115.310 2.890 18551 5304 1 16 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.523 -0.143 18551 5305 1 16 . 1 1 55 55 GLN C C 55 173.700 173.700 174.794 -1.094 18551 5306 1 16 . 1 1 55 55 GLN CA C 55 55.500 55.500 54.864 0.636 18551 5307 1 16 . 1 1 55 55 GLN CB C 55 30.300 30.300 30.311 -0.011 18551 5308 1 16 . 1 1 56 56 VAL N N 56 115.300 115.300 114.437 0.863 18551 5309 1 16 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.551 -0.141 18551 5310 1 16 . 1 1 56 56 VAL C C 56 174.500 174.500 173.793 0.707 18551 5311 1 16 . 1 1 56 56 VAL CA C 56 60.900 60.900 59.602 1.298 18551 5312 1 16 . 1 1 56 56 VAL CB C 56 33.900 33.900 34.304 -0.404 18551 5313 1 16 . 1 1 57 57 PHE N N 57 122.700 122.700 119.779 2.921 18551 5314 1 16 . 1 1 57 57 PHE HA H 57 4.830 4.830 5.027 -0.197 18551 5315 1 16 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.378 -0.178 18551 5316 1 16 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.294 -0.294 18551 5317 1 16 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.801 -0.081 18551 5318 1 16 . 1 1 58 58 PRO C C 58 175.700 175.700 176.235 -0.535 18551 5319 1 16 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.266 -0.166 18551 5320 1 16 . 1 1 58 58 PRO CB C 58 32.300 32.300 32.067 0.233 18551 5321 1 16 . 1 1 59 59 CYS N N 59 125.200 125.200 125.087 0.113 18551 5322 1 16 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.542 -0.122 18551 5323 1 16 . 1 1 59 59 CYS C C 59 176.300 176.300 176.418 -0.118 18551 5324 1 16 . 1 1 59 59 CYS CA C 59 60.800 60.800 58.724 2.076 18551 5325 1 16 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.380 2.120 18551 5326 1 16 . 1 1 60 60 LYS N N 60 126.400 126.400 128.634 -2.234 18551 5327 1 16 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.779 0.381 18551 5328 1 16 . 1 1 60 60 LYS C C 60 176.800 176.800 176.438 0.362 18551 5329 1 16 . 1 1 60 60 LYS CA C 60 57.100 57.100 59.005 -1.905 18551 5330 1 16 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.316 1.084 18551 5331 1 16 . 1 1 61 61 TYR N N 61 121.900 121.900 118.245 3.655 18551 5332 1 16 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.384 0.126 18551 5333 1 16 . 1 1 61 61 TYR C C 61 174.300 174.300 177.040 -2.740 18551 5334 1 16 . 1 1 61 61 TYR CA C 61 57.700 57.700 58.647 -0.947 18551 5335 1 16 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.373 -0.373 18551 5336 1 16 . 1 1 62 62 CYS N N 62 122.800 122.800 116.652 6.148 18551 5337 1 16 . 1 1 62 62 CYS HA H 62 5.070 5.070 5.087 -0.017 18551 5338 1 16 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.221 2.979 18551 5339 1 16 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.253 0.347 18551 5340 1 16 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.255 0.315 18551 5341 1 16 . 1 1 63 63 PRO C C 63 176.500 176.500 175.594 0.906 18551 5342 1 16 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.123 0.977 18551 5343 1 16 . 1 1 63 63 PRO CB C 63 31.900 31.900 29.714 2.186 18551 5344 1 16 . 1 1 64 64 ALA N N 64 125.400 125.400 127.058 -1.658 18551 5345 1 16 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.454 -0.424 18551 5346 1 16 . 1 1 64 64 ALA C C 64 176.100 176.100 175.418 0.682 18551 5347 1 16 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.987 1.913 18551 5348 1 16 . 1 1 64 64 ALA CB C 64 20.200 20.200 20.605 -0.405 18551 5349 1 16 . 1 1 65 65 THR N N 65 113.200 113.200 119.719 -6.519 18551 5350 1 16 . 1 1 65 65 THR HA H 65 4.440 4.440 4.503 -0.063 18551 5351 1 16 . 1 1 65 65 THR C C 65 171.400 171.400 173.071 -1.671 18551 5352 1 16 . 1 1 65 65 THR CA C 65 61.400 61.400 61.877 -0.477 18551 5353 1 16 . 1 1 65 65 THR CB C 65 71.600 71.600 69.234 2.366 18551 5354 1 16 . 1 1 66 66 PHE N N 66 120.900 120.900 125.447 -4.547 18551 5355 1 16 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.752 -0.332 18551 5356 1 16 . 1 1 66 66 PHE CA C 66 57.200 57.200 57.036 0.164 18551 5357 1 16 . 1 1 66 66 PHE CB C 66 42.700 42.700 41.155 1.545 18551 5358 1 16 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.509 0.771 18551 5359 1 16 . 1 1 67 67 TYR C C 67 174.800 174.800 174.547 0.253 18551 5360 1 16 . 1 1 67 67 TYR CA C 67 57.800 57.800 59.882 -2.082 18551 5361 1 16 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.303 -0.803 18551 5362 1 16 . 1 1 68 68 SER N N 68 112.800 112.800 112.916 -0.116 18551 5363 1 16 . 1 1 68 68 SER HA H 68 4.440 4.440 4.685 -0.245 18551 5364 1 16 . 1 1 68 68 SER C C 68 172.200 172.200 174.594 -2.394 18551 5365 1 16 . 1 1 68 68 SER CA C 68 57.000 57.000 56.819 0.181 18551 5366 1 16 . 1 1 68 68 SER CB C 68 66.400 66.400 66.467 -0.067 18551 5367 1 16 . 1 1 69 69 SER N N 69 117.800 117.800 120.031 -2.231 18551 5368 1 16 . 1 1 69 69 SER HA H 69 3.630 3.630 4.036 -0.406 18551 5369 1 16 . 1 1 69 69 SER CA C 69 61.900 61.900 61.206 0.694 18551 5370 1 16 . 1 1 69 69 SER CB C 69 60.900 60.900 60.850 0.050 18551 5371 1 16 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.352 -0.092 18551 5372 1 16 . 1 1 70 70 PRO C C 70 179.000 179.000 178.270 0.730 18551 5373 1 16 . 1 1 70 70 PRO CA C 70 65.700 65.700 64.746 0.954 18551 5374 1 16 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.212 -0.212 18551 5375 1 16 . 1 1 71 71 GLY N N 71 105.000 105.000 106.149 -1.149 18551 5376 1 16 . 1 1 71 71 GLY C C 71 175.700 175.700 175.946 -0.246 18551 5377 1 16 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.169 0.531 18551 5378 1 16 . 1 1 72 72 LEU N N 72 123.600 123.600 122.520 1.080 18551 5379 1 16 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.916 -0.426 18551 5380 1 16 . 1 1 72 72 LEU C C 72 177.900 177.900 178.695 -0.795 18551 5381 1 16 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.333 0.467 18551 5382 1 16 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.752 -1.452 18551 5383 1 16 . 1 1 73 73 THR N N 73 117.100 117.100 113.993 3.107 18551 5384 1 16 . 1 1 73 73 THR HA H 73 3.710 3.710 3.946 -0.236 18551 5385 1 16 . 1 1 73 73 THR C C 73 176.100 176.100 176.493 -0.393 18551 5386 1 16 . 1 1 73 73 THR CA C 73 67.300 67.300 66.571 0.729 18551 5387 1 16 . 1 1 73 73 THR CB C 73 68.700 68.700 68.150 0.550 18551 5388 1 16 . 1 1 74 74 ARG N N 74 120.200 120.200 120.621 -0.421 18551 5389 1 16 . 1 1 74 74 ARG HA H 74 3.980 3.980 4.010 -0.030 18551 5390 1 16 . 1 1 74 74 ARG C C 74 178.500 178.500 178.340 0.160 18551 5391 1 16 . 1 1 74 74 ARG CA C 74 59.600 59.600 58.801 0.799 18551 5392 1 16 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.102 0.998 18551 5393 1 16 . 1 1 75 75 HIS N N 75 118.700 118.700 118.627 0.073 18551 5394 1 16 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.542 -0.272 18551 5395 1 16 . 1 1 75 75 HIS C C 75 176.900 176.900 177.578 -0.678 18551 5396 1 16 . 1 1 75 75 HIS CA C 75 59.600 59.600 58.842 0.758 18551 5397 1 16 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.424 -1.524 18551 5398 1 16 . 1 1 76 76 ILE N N 76 121.600 121.600 120.640 0.960 18551 5399 1 16 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.949 -0.529 18551 5400 1 16 . 1 1 76 76 ILE C C 76 177.800 177.800 178.212 -0.412 18551 5401 1 16 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.485 0.815 18551 5402 1 16 . 1 1 76 76 ILE CB C 76 38.000 38.000 38.033 -0.033 18551 5403 1 16 . 1 1 77 77 ASN N N 77 115.900 115.900 117.973 -2.073 18551 5404 1 16 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.472 -0.202 18551 5405 1 16 . 1 1 77 77 ASN C C 77 176.400 176.400 176.562 -0.162 18551 5406 1 16 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.790 0.010 18551 5407 1 16 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.110 0.290 18551 5408 1 16 . 1 1 78 78 LYS N N 78 116.200 116.200 117.997 -1.797 18551 5409 1 16 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.244 -0.074 18551 5410 1 16 . 1 1 78 78 LYS C C 78 178.400 178.400 177.148 1.252 18551 5411 1 16 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.364 -0.264 18551 5412 1 16 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.437 0.563 18551 5413 1 16 . 1 1 79 79 CYS N N 79 113.900 113.900 116.869 -2.969 18551 5414 1 16 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.405 -0.316 18551 5415 1 16 . 1 1 79 79 CYS C C 79 174.200 174.200 174.539 -0.339 18551 5416 1 16 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.384 2.316 18551 5417 1 16 . 1 1 79 79 CYS CB C 79 28.000 28.000 28.867 -0.867 18551 5418 1 16 . 1 1 80 80 HIS N N 80 117.000 117.000 118.202 -1.202 18551 5419 1 16 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.973 0.307 18551 5420 1 16 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.963 -2.263 18551 5421 1 16 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.310 -2.610 18551 5422 1 16 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.550 -0.230 18551 5423 1 16 . 1 1 81 81 PRO C C 81 178.100 178.100 177.198 0.902 18551 5424 1 16 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.906 0.794 18551 5425 1 16 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.200 -0.700 18551 5426 1 16 . 1 1 82 82 SER N N 82 114.100 114.100 115.394 -1.294 18551 5427 1 16 . 1 1 82 82 SER HA H 82 4.340 4.340 4.443 -0.103 18551 5428 1 16 . 1 1 82 82 SER C C 82 174.900 174.900 175.005 -0.105 18551 5429 1 16 . 1 1 82 82 SER CA C 82 59.000 59.000 58.339 0.661 18551 5430 1 16 . 1 1 82 82 SER CB C 82 63.300 63.300 61.677 1.623 18551 5431 1 16 . 1 1 83 83 GLU N N 83 120.600 120.600 122.463 -1.863 18551 5432 1 16 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.454 -0.224 18551 5433 1 16 . 1 1 83 83 GLU C C 83 176.300 176.300 176.131 0.169 18551 5434 1 16 . 1 1 83 83 GLU CA C 83 56.100 56.100 56.153 -0.053 18551 5435 1 16 . 1 1 83 83 GLU CB C 83 29.400 29.400 29.754 -0.354 18551 5436 1 16 . 1 1 84 84 ASN N N 84 119.100 119.100 117.787 1.313 18551 5437 1 16 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.669 0.041 18551 5438 1 16 . 1 1 84 84 ASN C C 84 174.100 174.100 175.197 -1.097 18551 5439 1 16 . 1 1 84 84 ASN CA C 84 53.200 53.200 53.543 -0.343 18551 5440 1 16 . 1 1 84 84 ASN CB C 84 39.000 39.000 39.123 -0.123 18551 5441 1 17 . 1 1 11 11 MET HA H 11 4.440 4.440 4.576 -0.136 18551 5442 1 17 . 1 1 11 11 MET C C 11 176.600 176.600 175.517 1.083 18551 5443 1 17 . 1 1 11 11 MET CA C 11 55.600 55.600 55.888 -0.288 18551 5444 1 17 . 1 1 11 11 MET CB C 11 32.700 32.700 34.197 -1.497 18551 5445 1 17 . 1 1 12 12 GLY N N 12 110.000 110.000 107.037 2.963 18551 5446 1 17 . 1 1 12 12 GLY C C 12 173.900 173.900 174.176 -0.276 18551 5447 1 17 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.239 1.061 18551 5448 1 17 . 1 1 13 13 ASP N N 13 120.500 120.500 119.496 1.004 18551 5449 1 17 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.425 0.215 18551 5450 1 17 . 1 1 13 13 ASP C C 13 176.900 176.900 176.919 -0.019 18551 5451 1 17 . 1 1 13 13 ASP CA C 13 54.500 54.500 56.600 -2.100 18551 5452 1 17 . 1 1 13 13 ASP CB C 13 41.400 41.400 41.266 0.134 18551 5453 1 17 . 1 1 14 14 GLY N N 14 109.300 109.300 106.026 3.274 18551 5454 1 17 . 1 1 14 14 GLY C C 14 174.500 174.500 173.562 0.938 18551 5455 1 17 . 1 1 14 14 GLY CA C 14 45.500 45.500 45.054 0.446 18551 5456 1 17 . 1 1 15 15 GLU N N 15 120.600 120.600 118.329 2.271 18551 5457 1 17 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.618 -0.338 18551 5458 1 17 . 1 1 15 15 GLU C C 15 177.200 177.200 176.029 1.171 18551 5459 1 17 . 1 1 15 15 GLU CA C 15 56.800 56.800 55.046 1.754 18551 5460 1 17 . 1 1 15 15 GLU CB C 15 30.100 30.100 30.453 -0.353 18551 5461 1 17 . 1 1 16 16 GLY N N 16 109.900 109.900 107.420 2.480 18551 5462 1 17 . 1 1 16 16 GLY C C 16 174.100 174.100 173.782 0.318 18551 5463 1 17 . 1 1 16 16 GLY CA C 16 45.500 45.500 45.615 -0.115 18551 5464 1 17 . 1 1 17 17 ALA N N 17 123.500 123.500 125.730 -2.230 18551 5465 1 17 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.332 -0.032 18551 5466 1 17 . 1 1 17 17 ALA C C 17 178.300 178.300 178.363 -0.063 18551 5467 1 17 . 1 1 17 17 ALA CA C 17 52.800 52.800 52.053 0.747 18551 5468 1 17 . 1 1 17 17 ALA CB C 17 19.300 19.300 19.059 0.240 18551 5469 1 17 . 1 1 18 18 GLY N N 18 108.000 108.000 113.356 -5.356 18551 5470 1 17 . 1 1 18 18 GLY C C 18 174.400 174.400 173.997 0.403 18551 5471 1 17 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.855 0.545 18551 5472 1 17 . 1 1 19 19 VAL N N 19 119.100 119.100 120.165 -1.065 18551 5473 1 17 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.634 -0.544 18551 5474 1 17 . 1 1 19 19 VAL C C 19 176.400 176.400 175.673 0.727 18551 5475 1 17 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.050 1.450 18551 5476 1 17 . 1 1 19 19 VAL CB C 19 32.500 32.500 33.676 -1.176 18551 5477 1 17 . 1 1 20 20 LEU N N 20 125.100 125.100 121.149 3.951 18551 5478 1 17 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.703 -0.373 18551 5479 1 17 . 1 1 20 20 LEU C C 20 177.900 177.900 176.930 0.970 18551 5480 1 17 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.412 0.988 18551 5481 1 17 . 1 1 20 20 LEU CB C 20 42.200 42.200 42.161 0.039 18551 5482 1 17 . 1 1 21 21 GLY N N 21 109.300 109.300 107.774 1.526 18551 5483 1 17 . 1 1 21 21 GLY C C 21 174.200 174.200 175.532 -1.332 18551 5484 1 17 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.551 0.849 18551 5485 1 17 . 1 1 22 22 LEU N N 22 121.600 121.600 123.691 -2.091 18551 5486 1 17 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.302 0.068 18551 5487 1 17 . 1 1 22 22 LEU C C 22 177.600 177.600 177.506 0.094 18551 5488 1 17 . 1 1 22 22 LEU CA C 22 55.200 55.200 56.355 -1.155 18551 5489 1 17 . 1 1 22 22 LEU CB C 22 42.500 42.500 41.946 0.554 18551 5490 1 17 . 1 1 23 23 SER N N 23 116.500 116.500 115.284 1.216 18551 5491 1 17 . 1 1 23 23 SER HA H 23 4.440 4.440 4.336 0.104 18551 5492 1 17 . 1 1 23 23 SER C C 23 174.300 174.300 175.029 -0.729 18551 5493 1 17 . 1 1 23 23 SER CA C 23 58.300 58.300 59.391 -1.091 18551 5494 1 17 . 1 1 23 23 SER CB C 23 63.800 63.800 63.356 0.444 18551 5495 1 17 . 1 1 24 24 ALA N N 24 126.000 126.000 123.433 2.567 18551 5496 1 17 . 1 1 24 24 ALA HA H 24 4.350 4.350 3.923 0.427 18551 5497 1 17 . 1 1 24 24 ALA C C 24 177.700 177.700 176.981 0.719 18551 5498 1 17 . 1 1 24 24 ALA CA C 24 52.700 52.700 54.122 -1.422 18551 5499 1 17 . 1 1 24 24 ALA CB C 24 19.400 19.400 17.284 2.116 18551 5500 1 17 . 1 1 25 25 SER N N 25 114.700 114.700 117.280 -2.580 18551 5501 1 17 . 1 1 25 25 SER HA H 25 4.430 4.430 4.657 -0.227 18551 5502 1 17 . 1 1 25 25 SER C C 25 174.200 174.200 173.807 0.393 18551 5503 1 17 . 1 1 25 25 SER CA C 25 58.200 58.200 57.126 1.074 18551 5504 1 17 . 1 1 25 25 SER CB C 25 63.900 63.900 64.073 -0.173 18551 5505 1 17 . 1 1 26 26 ALA N N 26 125.900 125.900 129.208 -3.308 18551 5506 1 17 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.380 -0.040 18551 5507 1 17 . 1 1 26 26 ALA C C 26 177.400 177.400 177.627 -0.227 18551 5508 1 17 . 1 1 26 26 ALA CA C 26 52.500 52.500 52.201 0.299 18551 5509 1 17 . 1 1 26 26 ALA CB C 26 19.400 19.400 19.425 -0.025 18551 5510 1 17 . 1 1 27 27 GLU N N 27 120.100 120.100 122.613 -2.513 18551 5511 1 17 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.374 -0.134 18551 5512 1 17 . 1 1 27 27 GLU C C 27 175.400 175.400 175.378 0.022 18551 5513 1 17 . 1 1 27 27 GLU CA C 27 56.200 56.200 55.295 0.905 18551 5514 1 17 . 1 1 27 27 GLU CB C 27 30.700 30.700 30.699 0.001 18551 5515 1 17 . 1 1 28 28 CYS N N 28 119.400 119.400 114.981 4.419 18551 5516 1 17 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.127 0.463 18551 5517 1 17 . 1 1 28 28 CYS C C 28 173.000 173.000 173.671 -0.671 18551 5518 1 17 . 1 1 28 28 CYS CA C 28 57.900 57.900 60.178 -2.278 18551 5519 1 17 . 1 1 28 28 CYS CB C 28 28.700 28.700 28.242 0.458 18551 5520 1 17 . 1 1 29 29 HIS N N 29 124.500 124.500 122.220 2.280 18551 5521 1 17 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.690 -0.050 18551 5522 1 17 . 1 1 29 29 HIS C C 29 174.700 174.700 174.660 0.040 18551 5523 1 17 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.229 -0.929 18551 5524 1 17 . 1 1 29 29 HIS CB C 29 32.400 32.400 30.293 2.107 18551 5525 1 17 . 1 1 30 30 LEU N N 30 123.900 123.900 125.685 -1.785 18551 5526 1 17 . 1 1 30 30 LEU HA H 30 5.070 5.070 4.901 0.169 18551 5527 1 17 . 1 1 30 30 LEU C C 30 178.500 178.500 177.083 1.417 18551 5528 1 17 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.429 0.371 18551 5529 1 17 . 1 1 30 30 LEU CB C 30 43.700 43.700 43.476 0.224 18551 5530 1 17 . 1 1 31 31 CYS N N 31 126.700 126.700 124.417 2.283 18551 5531 1 17 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.775 0.035 18551 5532 1 17 . 1 1 31 31 CYS C C 31 53.800 53.800 175.157 -121.357 18551 5533 1 17 . 1 1 31 31 CYS CA C 31 57.100 57.100 57.301 -0.201 18551 5534 1 17 . 1 1 31 31 CYS CB C 31 30.300 30.300 27.056 3.244 18551 5535 1 17 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.252 0.208 18551 5536 1 17 . 1 1 32 32 PRO C C 32 176.000 176.000 176.335 -0.335 18551 5537 1 17 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.063 -1.063 18551 5538 1 17 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.712 0.488 18551 5539 1 17 . 1 1 33 33 VAL N N 33 122.000 122.000 113.274 8.726 18551 5540 1 17 . 1 1 33 33 VAL HA H 33 3.810 3.810 4.045 -0.235 18551 5541 1 17 . 1 1 33 33 VAL C C 33 176.700 176.700 176.009 0.691 18551 5542 1 17 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.850 1.950 18551 5543 1 17 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.047 0.653 18551 5544 1 17 . 1 1 34 34 CYS N N 34 117.100 117.100 117.836 -0.736 18551 5545 1 17 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.834 0.336 18551 5546 1 17 . 1 1 34 34 CYS C C 34 176.800 176.800 174.995 1.805 18551 5547 1 17 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.655 1.845 18551 5548 1 17 . 1 1 34 34 CYS CB C 34 32.700 32.700 30.052 2.647 18551 5549 1 17 . 1 1 35 35 GLY N N 35 112.500 112.500 109.405 3.095 18551 5550 1 17 . 1 1 35 35 GLY C C 35 173.200 173.200 173.668 -0.468 18551 5551 1 17 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.436 -0.036 18551 5552 1 17 . 1 1 36 36 GLU N N 36 122.500 122.500 123.718 -1.218 18551 5553 1 17 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.109 -0.119 18551 5554 1 17 . 1 1 36 36 GLU C C 36 173.800 173.800 174.758 -0.958 18551 5555 1 17 . 1 1 36 36 GLU CA C 36 57.900 57.900 54.879 3.021 18551 5556 1 17 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.069 -0.569 18551 5557 1 17 . 1 1 37 37 SER N N 37 116.300 116.300 120.618 -4.318 18551 5558 1 17 . 1 1 37 37 SER HA H 37 4.820 4.820 4.374 0.446 18551 5559 1 17 . 1 1 37 37 SER C C 37 173.300 173.300 173.346 -0.046 18551 5560 1 17 . 1 1 37 37 SER CA C 37 57.200 57.200 58.718 -1.518 18551 5561 1 17 . 1 1 37 37 SER CB C 37 65.300 65.300 63.247 2.053 18551 5562 1 17 . 1 1 38 38 PHE N N 38 120.000 120.000 125.034 -5.034 18551 5563 1 17 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.726 -0.076 18551 5564 1 17 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.279 0.121 18551 5565 1 17 . 1 1 38 38 PHE CB C 38 44.000 44.000 41.991 2.009 18551 5566 1 17 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.177 0.413 18551 5567 1 17 . 1 1 39 39 ALA C C 39 176.700 176.700 177.276 -0.576 18551 5568 1 17 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.893 -1.193 18551 5569 1 17 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.091 0.309 18551 5570 1 17 . 1 1 40 40 SER N N 40 107.500 107.500 112.754 -5.254 18551 5571 1 17 . 1 1 40 40 SER HA H 40 4.560 4.560 4.732 -0.172 18551 5572 1 17 . 1 1 40 40 SER C C 40 173.400 173.400 174.880 -1.480 18551 5573 1 17 . 1 1 40 40 SER CA C 40 56.100 56.100 56.482 -0.382 18551 5574 1 17 . 1 1 40 40 SER CB C 40 66.400 66.400 64.924 1.476 18551 5575 1 17 . 1 1 41 41 LYS N N 41 124.400 124.400 123.087 1.313 18551 5576 1 17 . 1 1 41 41 LYS HA H 41 3.440 3.440 4.085 -0.645 18551 5577 1 17 . 1 1 41 41 LYS C C 41 178.600 178.600 178.199 0.401 18551 5578 1 17 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.531 -0.331 18551 5579 1 17 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.412 -0.312 18551 5580 1 17 . 1 1 42 42 GLY N N 42 105.900 105.900 106.365 -0.465 18551 5581 1 17 . 1 1 42 42 GLY C C 42 176.700 176.700 175.409 1.291 18551 5582 1 17 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.784 0.116 18551 5583 1 17 . 1 1 43 43 ALA N N 43 123.500 123.500 123.077 0.423 18551 5584 1 17 . 1 1 43 43 ALA HA H 43 4.050 4.050 3.823 0.227 18551 5585 1 17 . 1 1 43 43 ALA C C 43 179.700 179.700 178.753 0.947 18551 5586 1 17 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.220 0.480 18551 5587 1 17 . 1 1 43 43 ALA CB C 43 18.800 18.800 17.908 0.892 18551 5588 1 17 . 1 1 44 44 GLN N N 44 121.800 121.800 119.030 2.770 18551 5589 1 17 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.982 -1.382 18551 5590 1 17 . 1 1 44 44 GLN C C 44 177.500 177.500 178.051 -0.551 18551 5591 1 17 . 1 1 44 44 GLN CA C 44 59.400 59.400 59.006 0.394 18551 5592 1 17 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.439 -0.839 18551 5593 1 17 . 1 1 45 45 GLU N N 45 120.200 120.200 118.955 1.245 18551 5594 1 17 . 1 1 45 45 GLU HA H 45 3.770 3.770 3.896 -0.126 18551 5595 1 17 . 1 1 45 45 GLU C C 45 179.000 179.000 178.763 0.237 18551 5596 1 17 . 1 1 45 45 GLU CA C 45 59.900 59.900 59.331 0.570 18551 5597 1 17 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.365 0.035 18551 5598 1 17 . 1 1 46 46 ARG N N 46 119.900 119.900 118.194 1.706 18551 5599 1 17 . 1 1 46 46 ARG HA H 46 3.900 3.900 3.988 -0.088 18551 5600 1 17 . 1 1 46 46 ARG C C 46 177.800 177.800 178.196 -0.396 18551 5601 1 17 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.422 0.177 18551 5602 1 17 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.522 0.578 18551 5603 1 17 . 1 1 47 47 HIS N N 47 118.200 118.200 119.754 -1.554 18551 5604 1 17 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.399 -0.259 18551 5605 1 17 . 1 1 47 47 HIS C C 47 176.300 176.300 177.378 -1.078 18551 5606 1 17 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.374 0.226 18551 5607 1 17 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.343 -2.443 18551 5608 1 17 . 1 1 48 48 LEU N N 48 120.000 120.000 119.011 0.989 18551 5609 1 17 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.167 -0.357 18551 5610 1 17 . 1 1 48 48 LEU C C 48 178.500 178.500 178.198 0.302 18551 5611 1 17 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.994 1.206 18551 5612 1 17 . 1 1 48 48 LEU CB C 48 42.700 42.700 42.232 0.468 18551 5613 1 17 . 1 1 49 49 ARG N N 49 115.400 115.400 115.911 -0.511 18551 5614 1 17 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.055 -0.155 18551 5615 1 17 . 1 1 49 49 ARG C C 49 177.600 177.600 177.929 -0.329 18551 5616 1 17 . 1 1 49 49 ARG CA C 49 58.700 58.700 57.797 0.903 18551 5617 1 17 . 1 1 49 49 ARG CB C 49 30.500 30.500 29.970 0.530 18551 5618 1 17 . 1 1 50 50 LEU N N 50 117.200 117.200 117.929 -0.729 18551 5619 1 17 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.132 0.068 18551 5620 1 17 . 1 1 50 50 LEU C C 50 179.000 179.000 177.906 1.094 18551 5621 1 17 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.837 -0.037 18551 5622 1 17 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.297 0.403 18551 5623 1 17 . 1 1 51 51 LEU N N 51 117.800 117.800 115.213 2.587 18551 5624 1 17 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.316 -0.046 18551 5625 1 17 . 1 1 51 51 LEU C C 51 178.100 178.100 178.363 -0.263 18551 5626 1 17 . 1 1 51 51 LEU CA C 51 55.000 55.000 55.820 -0.820 18551 5627 1 17 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.922 -1.722 18551 5628 1 17 . 1 1 52 52 HIS N N 52 115.300 115.300 118.277 -2.977 18551 5629 1 17 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.595 0.765 18551 5630 1 17 . 1 1 52 52 HIS C C 52 175.000 175.000 174.771 0.229 18551 5631 1 17 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.767 -1.967 18551 5632 1 17 . 1 1 52 52 HIS CB C 52 28.900 28.900 28.775 0.125 18551 5633 1 17 . 1 1 53 53 ALA N N 53 122.100 122.100 121.504 0.596 18551 5634 1 17 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.180 -0.110 18551 5635 1 17 . 1 1 53 53 ALA C C 53 178.300 178.300 177.415 0.885 18551 5636 1 17 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.851 1.749 18551 5637 1 17 . 1 1 53 53 ALA CB C 53 18.600 18.600 18.426 0.174 18551 5638 1 17 . 1 1 54 54 ALA N N 54 118.200 118.200 119.704 -1.504 18551 5639 1 17 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.086 0.204 18551 5640 1 17 . 1 1 54 54 ALA C C 54 177.700 177.700 179.175 -1.475 18551 5641 1 17 . 1 1 54 54 ALA CA C 54 52.800 52.800 54.447 -1.647 18551 5642 1 17 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.788 0.212 18551 5643 1 17 . 1 1 55 55 GLN N N 55 118.200 118.200 113.323 4.877 18551 5644 1 17 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.382 -0.002 18551 5645 1 17 . 1 1 55 55 GLN C C 55 173.700 173.700 174.350 -0.650 18551 5646 1 17 . 1 1 55 55 GLN CA C 55 55.500 55.500 54.983 0.517 18551 5647 1 17 . 1 1 55 55 GLN CB C 55 30.300 30.300 30.111 0.189 18551 5648 1 17 . 1 1 56 56 VAL N N 56 115.300 115.300 114.510 0.790 18551 5649 1 17 . 1 1 56 56 VAL HA H 56 4.410 4.410 3.955 0.455 18551 5650 1 17 . 1 1 56 56 VAL C C 56 174.500 174.500 173.778 0.722 18551 5651 1 17 . 1 1 56 56 VAL CA C 56 60.900 60.900 59.749 1.151 18551 5652 1 17 . 1 1 56 56 VAL CB C 56 33.900 33.900 33.739 0.161 18551 5653 1 17 . 1 1 57 57 PHE N N 57 122.700 122.700 121.346 1.354 18551 5654 1 17 . 1 1 57 57 PHE HA H 57 4.830 4.830 4.963 -0.133 18551 5655 1 17 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.086 0.114 18551 5656 1 17 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.302 -0.302 18551 5657 1 17 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.760 -0.040 18551 5658 1 17 . 1 1 58 58 PRO C C 58 175.700 175.700 176.216 -0.516 18551 5659 1 17 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.211 -0.111 18551 5660 1 17 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.636 0.664 18551 5661 1 17 . 1 1 59 59 CYS N N 59 125.200 125.200 126.171 -0.971 18551 5662 1 17 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.423 -0.003 18551 5663 1 17 . 1 1 59 59 CYS C C 59 176.300 176.300 176.226 0.074 18551 5664 1 17 . 1 1 59 59 CYS CA C 59 60.800 60.800 58.946 1.854 18551 5665 1 17 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.322 2.178 18551 5666 1 17 . 1 1 60 60 LYS N N 60 126.400 126.400 128.306 -1.906 18551 5667 1 17 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.892 0.268 18551 5668 1 17 . 1 1 60 60 LYS C C 60 176.800 176.800 176.617 0.183 18551 5669 1 17 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.756 -1.656 18551 5670 1 17 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.975 0.425 18551 5671 1 17 . 1 1 61 61 TYR N N 61 121.900 121.900 115.895 6.005 18551 5672 1 17 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.366 0.144 18551 5673 1 17 . 1 1 61 61 TYR C C 61 174.300 174.300 175.387 -1.087 18551 5674 1 17 . 1 1 61 61 TYR CA C 61 57.700 57.700 58.197 -0.497 18551 5675 1 17 . 1 1 61 61 TYR CB C 61 38.000 38.000 37.740 0.260 18551 5676 1 17 . 1 1 62 62 CYS N N 62 122.800 122.800 115.444 7.356 18551 5677 1 17 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.818 0.252 18551 5678 1 17 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.140 3.060 18551 5679 1 17 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.602 -0.002 18551 5680 1 17 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.244 0.326 18551 5681 1 17 . 1 1 63 63 PRO C C 63 176.500 176.500 175.435 1.065 18551 5682 1 17 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.053 1.047 18551 5683 1 17 . 1 1 63 63 PRO CB C 63 31.900 31.900 29.488 2.412 18551 5684 1 17 . 1 1 64 64 ALA N N 64 125.400 125.400 127.031 -1.631 18551 5685 1 17 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.461 -0.431 18551 5686 1 17 . 1 1 64 64 ALA C C 64 176.100 176.100 175.319 0.781 18551 5687 1 17 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.379 2.521 18551 5688 1 17 . 1 1 64 64 ALA CB C 64 20.200 20.200 20.803 -0.603 18551 5689 1 17 . 1 1 65 65 THR N N 65 113.200 113.200 119.045 -5.845 18551 5690 1 17 . 1 1 65 65 THR HA H 65 4.440 4.440 4.238 0.202 18551 5691 1 17 . 1 1 65 65 THR C C 65 171.400 171.400 172.875 -1.475 18551 5692 1 17 . 1 1 65 65 THR CA C 65 61.400 61.400 62.195 -0.795 18551 5693 1 17 . 1 1 65 65 THR CB C 65 71.600 71.600 69.327 2.273 18551 5694 1 17 . 1 1 66 66 PHE N N 66 120.900 120.900 124.982 -4.082 18551 5695 1 17 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.892 -0.472 18551 5696 1 17 . 1 1 66 66 PHE CA C 66 57.200 57.200 57.002 0.198 18551 5697 1 17 . 1 1 66 66 PHE CB C 66 42.700 42.700 42.318 0.382 18551 5698 1 17 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.821 0.459 18551 5699 1 17 . 1 1 67 67 TYR C C 67 174.800 174.800 175.535 -0.735 18551 5700 1 17 . 1 1 67 67 TYR CA C 67 57.800 57.800 58.250 -0.450 18551 5701 1 17 . 1 1 67 67 TYR CB C 67 38.500 38.500 37.913 0.587 18551 5702 1 17 . 1 1 68 68 SER N N 68 112.800 112.800 113.251 -0.451 18551 5703 1 17 . 1 1 68 68 SER HA H 68 4.440 4.440 4.890 -0.450 18551 5704 1 17 . 1 1 68 68 SER C C 68 172.200 172.200 174.664 -2.464 18551 5705 1 17 . 1 1 68 68 SER CA C 68 57.000 57.000 57.361 -0.361 18551 5706 1 17 . 1 1 68 68 SER CB C 68 66.400 66.400 66.591 -0.191 18551 5707 1 17 . 1 1 69 69 SER N N 69 117.800 117.800 118.281 -0.481 18551 5708 1 17 . 1 1 69 69 SER HA H 69 3.630 3.630 4.153 -0.523 18551 5709 1 17 . 1 1 69 69 SER CA C 69 61.900 61.900 61.759 0.141 18551 5710 1 17 . 1 1 69 69 SER CB C 69 60.900 60.900 60.598 0.302 18551 5711 1 17 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.205 0.055 18551 5712 1 17 . 1 1 70 70 PRO C C 70 179.000 179.000 178.756 0.244 18551 5713 1 17 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.943 -0.243 18551 5714 1 17 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.183 -0.183 18551 5715 1 17 . 1 1 71 71 GLY N N 71 105.000 105.000 105.107 -0.107 18551 5716 1 17 . 1 1 71 71 GLY C C 71 175.700 175.700 175.703 -0.003 18551 5717 1 17 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.420 0.280 18551 5718 1 17 . 1 1 72 72 LEU N N 72 123.600 123.600 122.337 1.263 18551 5719 1 17 . 1 1 72 72 LEU HA H 72 3.490 3.490 4.109 -0.619 18551 5720 1 17 . 1 1 72 72 LEU C C 72 177.900 177.900 178.760 -0.860 18551 5721 1 17 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.621 0.179 18551 5722 1 17 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.807 -1.507 18551 5723 1 17 . 1 1 73 73 THR N N 73 117.100 117.100 112.845 4.255 18551 5724 1 17 . 1 1 73 73 THR HA H 73 3.710 3.710 4.006 -0.296 18551 5725 1 17 . 1 1 73 73 THR C C 73 176.100 176.100 176.561 -0.461 18551 5726 1 17 . 1 1 73 73 THR CA C 73 67.300 67.300 65.425 1.875 18551 5727 1 17 . 1 1 73 73 THR CB C 73 68.700 68.700 68.460 0.240 18551 5728 1 17 . 1 1 74 74 ARG N N 74 120.200 120.200 121.001 -0.801 18551 5729 1 17 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.962 0.018 18551 5730 1 17 . 1 1 74 74 ARG C C 74 178.500 178.500 178.497 0.003 18551 5731 1 17 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.839 -0.239 18551 5732 1 17 . 1 1 74 74 ARG CB C 74 30.100 30.100 30.051 0.049 18551 5733 1 17 . 1 1 75 75 HIS N N 75 118.700 118.700 117.578 1.122 18551 5734 1 17 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.502 -0.232 18551 5735 1 17 . 1 1 75 75 HIS C C 75 176.900 176.900 176.886 0.014 18551 5736 1 17 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.033 0.567 18551 5737 1 17 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.209 -1.309 18551 5738 1 17 . 1 1 76 76 ILE N N 76 121.600 121.600 120.561 1.039 18551 5739 1 17 . 1 1 76 76 ILE HA H 76 3.420 3.420 4.034 -0.614 18551 5740 1 17 . 1 1 76 76 ILE C C 76 177.800 177.800 178.169 -0.369 18551 5741 1 17 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.140 1.160 18551 5742 1 17 . 1 1 76 76 ILE CB C 76 38.000 38.000 38.191 -0.191 18551 5743 1 17 . 1 1 77 77 ASN N N 77 115.900 115.900 118.325 -2.425 18551 5744 1 17 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.464 -0.194 18551 5745 1 17 . 1 1 77 77 ASN C C 77 176.400 176.400 176.559 -0.159 18551 5746 1 17 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.842 -0.042 18551 5747 1 17 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.081 0.319 18551 5748 1 17 . 1 1 78 78 LYS N N 78 116.200 116.200 118.817 -2.617 18551 5749 1 17 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.253 -0.083 18551 5750 1 17 . 1 1 78 78 LYS C C 78 178.400 178.400 177.319 1.081 18551 5751 1 17 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.665 -0.565 18551 5752 1 17 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.600 0.400 18551 5753 1 17 . 1 1 79 79 CYS N N 79 113.900 113.900 115.167 -1.267 18551 5754 1 17 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.335 -0.245 18551 5755 1 17 . 1 1 79 79 CYS C C 79 174.200 174.200 175.290 -1.090 18551 5756 1 17 . 1 1 79 79 CYS CA C 79 60.700 60.700 59.827 0.873 18551 5757 1 17 . 1 1 79 79 CYS CB C 79 28.000 28.000 29.553 -1.553 18551 5758 1 17 . 1 1 80 80 HIS N N 80 117.000 117.000 118.174 -1.174 18551 5759 1 17 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.799 0.481 18551 5760 1 17 . 1 1 80 80 HIS CA C 80 51.700 51.700 54.732 -3.032 18551 5761 1 17 . 1 1 80 80 HIS CB C 80 28.700 28.700 30.836 -2.136 18551 5762 1 17 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.531 -0.211 18551 5763 1 17 . 1 1 81 81 PRO C C 81 178.100 178.100 176.679 1.421 18551 5764 1 17 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.392 1.308 18551 5765 1 17 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.332 -0.832 18551 5766 1 17 . 1 1 82 82 SER N N 82 114.100 114.100 115.283 -1.183 18551 5767 1 17 . 1 1 82 82 SER HA H 82 4.340 4.340 4.517 -0.177 18551 5768 1 17 . 1 1 82 82 SER C C 82 174.900 174.900 174.215 0.685 18551 5769 1 17 . 1 1 82 82 SER CA C 82 59.000 59.000 58.272 0.728 18551 5770 1 17 . 1 1 82 82 SER CB C 82 63.300 63.300 62.648 0.652 18551 5771 1 17 . 1 1 83 83 GLU N N 83 120.600 120.600 121.270 -0.670 18551 5772 1 17 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.384 -0.154 18551 5773 1 17 . 1 1 83 83 GLU C C 83 176.300 176.300 176.031 0.269 18551 5774 1 17 . 1 1 83 83 GLU CA C 83 56.100 56.100 55.325 0.775 18551 5775 1 17 . 1 1 83 83 GLU CB C 83 29.400 29.400 31.235 -1.835 18551 5776 1 17 . 1 1 84 84 ASN N N 84 119.100 119.100 118.027 1.073 18551 5777 1 17 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.469 0.241 18551 5778 1 17 . 1 1 84 84 ASN C C 84 174.100 174.100 174.163 -0.063 18551 5779 1 17 . 1 1 84 84 ASN CA C 84 53.200 53.200 54.251 -1.050 18551 5780 1 17 . 1 1 84 84 ASN CB C 84 39.000 39.000 37.599 1.401 18551 5781 1 18 . 1 1 11 11 MET HA H 11 4.440 4.440 4.561 -0.121 18551 5782 1 18 . 1 1 11 11 MET C C 11 176.600 176.600 175.476 1.124 18551 5783 1 18 . 1 1 11 11 MET CA C 11 55.600 55.600 54.462 1.138 18551 5784 1 18 . 1 1 11 11 MET CB C 11 32.700 32.700 33.247 -0.547 18551 5785 1 18 . 1 1 12 12 GLY N N 12 110.000 110.000 109.577 0.423 18551 5786 1 18 . 1 1 12 12 GLY C C 12 173.900 173.900 173.685 0.215 18551 5787 1 18 . 1 1 12 12 GLY CA C 12 45.300 45.300 45.343 -0.043 18551 5788 1 18 . 1 1 13 13 ASP N N 13 120.500 120.500 120.264 0.236 18551 5789 1 18 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.657 -0.017 18551 5790 1 18 . 1 1 13 13 ASP C C 13 176.900 176.900 176.965 -0.065 18551 5791 1 18 . 1 1 13 13 ASP CA C 13 54.500 54.500 54.097 0.403 18551 5792 1 18 . 1 1 13 13 ASP CB C 13 41.400 41.400 42.069 -0.669 18551 5793 1 18 . 1 1 14 14 GLY N N 14 109.300 109.300 109.312 -0.012 18551 5794 1 18 . 1 1 14 14 GLY C C 14 174.500 174.500 173.798 0.702 18551 5795 1 18 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.812 0.688 18551 5796 1 18 . 1 1 15 15 GLU N N 15 120.600 120.600 123.188 -2.588 18551 5797 1 18 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.114 0.166 18551 5798 1 18 . 1 1 15 15 GLU C C 15 177.200 177.200 177.130 0.070 18551 5799 1 18 . 1 1 15 15 GLU CA C 15 56.800 56.800 57.355 -0.555 18551 5800 1 18 . 1 1 15 15 GLU CB C 15 30.100 30.100 29.000 1.100 18551 5801 1 18 . 1 1 16 16 GLY N N 16 109.900 109.900 112.459 -2.559 18551 5802 1 18 . 1 1 16 16 GLY C C 16 174.100 174.100 173.856 0.244 18551 5803 1 18 . 1 1 16 16 GLY CA C 16 45.500 45.500 44.887 0.613 18551 5804 1 18 . 1 1 17 17 ALA N N 17 123.500 123.500 124.273 -0.773 18551 5805 1 18 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.452 -0.152 18551 5806 1 18 . 1 1 17 17 ALA C C 17 178.300 178.300 177.789 0.511 18551 5807 1 18 . 1 1 17 17 ALA CA C 17 52.800 52.800 51.747 1.053 18551 5808 1 18 . 1 1 17 17 ALA CB C 17 19.300 19.300 20.021 -0.721 18551 5809 1 18 . 1 1 18 18 GLY N N 18 108.000 108.000 106.194 1.806 18551 5810 1 18 . 1 1 18 18 GLY C C 18 174.400 174.400 174.415 -0.015 18551 5811 1 18 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.570 0.830 18551 5812 1 18 . 1 1 19 19 VAL N N 19 119.100 119.100 118.808 0.292 18551 5813 1 18 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.486 -0.396 18551 5814 1 18 . 1 1 19 19 VAL C C 19 176.400 176.400 175.455 0.945 18551 5815 1 18 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.048 1.452 18551 5816 1 18 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.615 -0.115 18551 5817 1 18 . 1 1 20 20 LEU N N 20 125.100 125.100 118.677 6.423 18551 5818 1 18 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.913 -0.583 18551 5819 1 18 . 1 1 20 20 LEU C C 20 177.900 177.900 176.169 1.731 18551 5820 1 18 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.690 0.710 18551 5821 1 18 . 1 1 20 20 LEU CB C 20 42.200 42.200 42.779 -0.579 18551 5822 1 18 . 1 1 21 21 GLY N N 21 109.300 109.300 108.284 1.016 18551 5823 1 18 . 1 1 21 21 GLY C C 21 174.200 174.200 173.536 0.664 18551 5824 1 18 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.882 0.518 18551 5825 1 18 . 1 1 22 22 LEU N N 22 121.600 121.600 122.223 -0.623 18551 5826 1 18 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.416 -0.046 18551 5827 1 18 . 1 1 22 22 LEU C C 22 177.600 177.600 176.536 1.064 18551 5828 1 18 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.737 0.463 18551 5829 1 18 . 1 1 22 22 LEU CB C 22 42.500 42.500 40.094 2.406 18551 5830 1 18 . 1 1 23 23 SER N N 23 116.500 116.500 120.397 -3.897 18551 5831 1 18 . 1 1 23 23 SER HA H 23 4.440 4.440 4.626 -0.186 18551 5832 1 18 . 1 1 23 23 SER C C 23 174.300 174.300 173.178 1.122 18551 5833 1 18 . 1 1 23 23 SER CA C 23 58.300 58.300 58.934 -0.634 18551 5834 1 18 . 1 1 23 23 SER CB C 23 63.800 63.800 64.236 -0.435 18551 5835 1 18 . 1 1 24 24 ALA N N 24 126.000 126.000 129.608 -3.608 18551 5836 1 18 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.718 -0.368 18551 5837 1 18 . 1 1 24 24 ALA C C 24 177.700 177.700 177.563 0.137 18551 5838 1 18 . 1 1 24 24 ALA CA C 24 52.700 52.700 51.869 0.831 18551 5839 1 18 . 1 1 24 24 ALA CB C 24 19.400 19.400 19.027 0.373 18551 5840 1 18 . 1 1 25 25 SER N N 25 114.700 114.700 119.046 -4.346 18551 5841 1 18 . 1 1 25 25 SER HA H 25 4.430 4.430 4.235 0.195 18551 5842 1 18 . 1 1 25 25 SER C C 25 174.200 174.200 175.563 -1.363 18551 5843 1 18 . 1 1 25 25 SER CA C 25 58.200 58.200 59.194 -0.994 18551 5844 1 18 . 1 1 25 25 SER CB C 25 63.900 63.900 63.477 0.423 18551 5845 1 18 . 1 1 26 26 ALA N N 26 125.900 125.900 122.929 2.971 18551 5846 1 18 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.411 -0.071 18551 5847 1 18 . 1 1 26 26 ALA C C 26 177.400 177.400 176.504 0.896 18551 5848 1 18 . 1 1 26 26 ALA CA C 26 52.500 52.500 51.826 0.674 18551 5849 1 18 . 1 1 26 26 ALA CB C 26 19.400 19.400 19.636 -0.236 18551 5850 1 18 . 1 1 27 27 GLU N N 27 120.100 120.100 117.807 2.293 18551 5851 1 18 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.054 0.186 18551 5852 1 18 . 1 1 27 27 GLU C C 27 175.400 175.400 175.395 0.005 18551 5853 1 18 . 1 1 27 27 GLU CA C 27 56.200 56.200 57.121 -0.921 18551 5854 1 18 . 1 1 27 27 GLU CB C 27 30.700 30.700 27.666 3.034 18551 5855 1 18 . 1 1 28 28 CYS N N 28 119.400 119.400 121.411 -2.011 18551 5856 1 18 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.470 0.120 18551 5857 1 18 . 1 1 28 28 CYS C C 28 173.000 173.000 174.000 -1.000 18551 5858 1 18 . 1 1 28 28 CYS CA C 28 57.900 57.900 58.683 -0.783 18551 5859 1 18 . 1 1 28 28 CYS CB C 28 28.700 28.700 30.002 -1.302 18551 5860 1 18 . 1 1 29 29 HIS N N 29 124.500 124.500 119.198 5.302 18551 5861 1 18 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.848 -0.208 18551 5862 1 18 . 1 1 29 29 HIS C C 29 174.700 174.700 173.484 1.216 18551 5863 1 18 . 1 1 29 29 HIS CA C 29 55.300 55.300 55.411 -0.111 18551 5864 1 18 . 1 1 29 29 HIS CB C 29 32.400 32.400 32.151 0.249 18551 5865 1 18 . 1 1 30 30 LEU N N 30 123.900 123.900 124.117 -0.217 18551 5866 1 18 . 1 1 30 30 LEU HA H 30 5.070 5.070 4.938 0.132 18551 5867 1 18 . 1 1 30 30 LEU C C 30 178.500 178.500 176.484 2.016 18551 5868 1 18 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.057 0.743 18551 5869 1 18 . 1 1 30 30 LEU CB C 30 43.700 43.700 44.418 -0.718 18551 5870 1 18 . 1 1 31 31 CYS N N 31 126.700 126.700 125.742 0.958 18551 5871 1 18 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.671 0.139 18551 5872 1 18 . 1 1 31 31 CYS C C 31 53.800 53.800 174.780 -120.980 18551 5873 1 18 . 1 1 31 31 CYS CA C 31 57.100 57.100 56.841 0.259 18551 5874 1 18 . 1 1 31 31 CYS CB C 31 30.300 30.300 27.133 3.167 18551 5875 1 18 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.103 0.357 18551 5876 1 18 . 1 1 32 32 PRO C C 32 176.000 176.000 176.377 -0.377 18551 5877 1 18 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.489 -1.489 18551 5878 1 18 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.379 0.821 18551 5879 1 18 . 1 1 33 33 VAL N N 33 122.000 122.000 113.602 8.398 18551 5880 1 18 . 1 1 33 33 VAL HA H 33 3.810 3.810 3.906 -0.096 18551 5881 1 18 . 1 1 33 33 VAL C C 33 176.700 176.700 175.735 0.965 18551 5882 1 18 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.456 2.344 18551 5883 1 18 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.072 0.628 18551 5884 1 18 . 1 1 34 34 CYS N N 34 117.100 117.100 117.504 -0.404 18551 5885 1 18 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.800 0.370 18551 5886 1 18 . 1 1 34 34 CYS C C 34 176.800 176.800 174.841 1.959 18551 5887 1 18 . 1 1 34 34 CYS CA C 34 58.500 58.500 57.053 1.447 18551 5888 1 18 . 1 1 34 34 CYS CB C 34 32.700 32.700 30.082 2.618 18551 5889 1 18 . 1 1 35 35 GLY N N 35 112.500 112.500 109.820 2.680 18551 5890 1 18 . 1 1 35 35 GLY C C 35 173.200 173.200 173.834 -0.634 18551 5891 1 18 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.657 -0.257 18551 5892 1 18 . 1 1 36 36 GLU N N 36 122.500 122.500 124.746 -2.246 18551 5893 1 18 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.288 -0.298 18551 5894 1 18 . 1 1 36 36 GLU C C 36 173.800 173.800 174.454 -0.654 18551 5895 1 18 . 1 1 36 36 GLU CA C 36 57.900 57.900 56.162 1.738 18551 5896 1 18 . 1 1 36 36 GLU CB C 36 30.500 30.500 32.250 -1.750 18551 5897 1 18 . 1 1 37 37 SER N N 37 116.300 116.300 122.869 -6.569 18551 5898 1 18 . 1 1 37 37 SER HA H 37 4.820 4.820 4.473 0.347 18551 5899 1 18 . 1 1 37 37 SER C C 37 173.300 173.300 173.840 -0.540 18551 5900 1 18 . 1 1 37 37 SER CA C 37 57.200 57.200 58.877 -1.677 18551 5901 1 18 . 1 1 37 37 SER CB C 37 65.300 65.300 63.142 2.158 18551 5902 1 18 . 1 1 38 38 PHE N N 38 120.000 120.000 123.850 -3.850 18551 5903 1 18 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.696 -0.046 18551 5904 1 18 . 1 1 38 38 PHE CA C 38 57.400 57.400 56.911 0.489 18551 5905 1 18 . 1 1 38 38 PHE CB C 38 44.000 44.000 41.944 2.056 18551 5906 1 18 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.291 0.299 18551 5907 1 18 . 1 1 39 39 ALA C C 39 176.700 176.700 177.633 -0.933 18551 5908 1 18 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.587 -0.888 18551 5909 1 18 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.303 0.097 18551 5910 1 18 . 1 1 40 40 SER N N 40 107.500 107.500 112.071 -4.571 18551 5911 1 18 . 1 1 40 40 SER HA H 40 4.560 4.560 4.660 -0.100 18551 5912 1 18 . 1 1 40 40 SER C C 40 173.400 173.400 175.632 -2.232 18551 5913 1 18 . 1 1 40 40 SER CA C 40 56.100 56.100 56.117 -0.017 18551 5914 1 18 . 1 1 40 40 SER CB C 40 66.400 66.400 64.389 2.011 18551 5915 1 18 . 1 1 41 41 LYS N N 41 124.400 124.400 127.127 -2.727 18551 5916 1 18 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.983 -0.543 18551 5917 1 18 . 1 1 41 41 LYS C C 41 178.600 178.600 178.067 0.533 18551 5918 1 18 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.491 -0.291 18551 5919 1 18 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.085 0.015 18551 5920 1 18 . 1 1 42 42 GLY N N 42 105.900 105.900 106.767 -0.867 18551 5921 1 18 . 1 1 42 42 GLY C C 42 176.700 176.700 175.453 1.247 18551 5922 1 18 . 1 1 42 42 GLY CA C 42 46.900 46.900 47.162 -0.262 18551 5923 1 18 . 1 1 43 43 ALA N N 43 123.500 123.500 123.089 0.411 18551 5924 1 18 . 1 1 43 43 ALA HA H 43 4.050 4.050 3.932 0.118 18551 5925 1 18 . 1 1 43 43 ALA C C 43 179.700 179.700 178.722 0.978 18551 5926 1 18 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.212 0.488 18551 5927 1 18 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.128 0.672 18551 5928 1 18 . 1 1 44 44 GLN N N 44 121.800 121.800 118.723 3.077 18551 5929 1 18 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.435 -0.835 18551 5930 1 18 . 1 1 44 44 GLN C C 44 177.500 177.500 178.050 -0.550 18551 5931 1 18 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.660 0.740 18551 5932 1 18 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.587 -0.987 18551 5933 1 18 . 1 1 45 45 GLU N N 45 120.200 120.200 118.628 1.572 18551 5934 1 18 . 1 1 45 45 GLU HA H 45 3.770 3.770 3.992 -0.222 18551 5935 1 18 . 1 1 45 45 GLU C C 45 179.000 179.000 178.761 0.239 18551 5936 1 18 . 1 1 45 45 GLU CA C 45 59.900 59.900 58.925 0.975 18551 5937 1 18 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.530 -0.130 18551 5938 1 18 . 1 1 46 46 ARG N N 46 119.900 119.900 117.735 2.165 18551 5939 1 18 . 1 1 46 46 ARG HA H 46 3.900 3.900 4.027 -0.127 18551 5940 1 18 . 1 1 46 46 ARG C C 46 177.800 177.800 178.311 -0.511 18551 5941 1 18 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.081 0.519 18551 5942 1 18 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.574 0.526 18551 5943 1 18 . 1 1 47 47 HIS N N 47 118.200 118.200 120.183 -1.983 18551 5944 1 18 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.425 -0.285 18551 5945 1 18 . 1 1 47 47 HIS C C 47 176.300 176.300 176.960 -0.660 18551 5946 1 18 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.855 -0.256 18551 5947 1 18 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.606 -2.706 18551 5948 1 18 . 1 1 48 48 LEU N N 48 120.000 120.000 118.528 1.472 18551 5949 1 18 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.189 -0.379 18551 5950 1 18 . 1 1 48 48 LEU C C 48 178.500 178.500 178.713 -0.213 18551 5951 1 18 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.807 1.393 18551 5952 1 18 . 1 1 48 48 LEU CB C 48 42.700 42.700 41.770 0.930 18551 5953 1 18 . 1 1 49 49 ARG N N 49 115.400 115.400 119.230 -3.830 18551 5954 1 18 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.180 -0.280 18551 5955 1 18 . 1 1 49 49 ARG C C 49 177.600 177.600 177.599 0.001 18551 5956 1 18 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.712 -0.012 18551 5957 1 18 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.540 -0.040 18551 5958 1 18 . 1 1 50 50 LEU N N 50 117.200 117.200 117.507 -0.307 18551 5959 1 18 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.336 -0.136 18551 5960 1 18 . 1 1 50 50 LEU C C 50 179.000 179.000 178.900 0.100 18551 5961 1 18 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.470 0.330 18551 5962 1 18 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.509 0.191 18551 5963 1 18 . 1 1 51 51 LEU N N 51 117.800 117.800 116.963 0.837 18551 5964 1 18 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.038 0.232 18551 5965 1 18 . 1 1 51 51 LEU C C 51 178.100 178.100 177.792 0.308 18551 5966 1 18 . 1 1 51 51 LEU CA C 51 55.000 55.000 56.208 -1.208 18551 5967 1 18 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.017 -0.817 18551 5968 1 18 . 1 1 52 52 HIS N N 52 115.300 115.300 115.725 -0.425 18551 5969 1 18 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.739 0.621 18551 5970 1 18 . 1 1 52 52 HIS C C 52 175.000 175.000 174.540 0.460 18551 5971 1 18 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.845 -2.045 18551 5972 1 18 . 1 1 52 52 HIS CB C 52 28.900 28.900 30.420 -1.520 18551 5973 1 18 . 1 1 53 53 ALA N N 53 122.100 122.100 122.224 -0.124 18551 5974 1 18 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.432 -0.362 18551 5975 1 18 . 1 1 53 53 ALA C C 53 178.300 178.300 177.456 0.844 18551 5976 1 18 . 1 1 53 53 ALA CA C 53 54.600 54.600 53.813 0.787 18551 5977 1 18 . 1 1 53 53 ALA CB C 53 18.600 18.600 19.185 -0.585 18551 5978 1 18 . 1 1 54 54 ALA N N 54 118.200 118.200 118.935 -0.735 18551 5979 1 18 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.020 0.270 18551 5980 1 18 . 1 1 54 54 ALA C C 54 177.700 177.700 178.393 -0.693 18551 5981 1 18 . 1 1 54 54 ALA CA C 54 52.800 52.800 53.903 -1.103 18551 5982 1 18 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.453 0.547 18551 5983 1 18 . 1 1 55 55 GLN N N 55 118.200 118.200 115.446 2.754 18551 5984 1 18 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.191 0.189 18551 5985 1 18 . 1 1 55 55 GLN C C 55 173.700 173.700 176.196 -2.496 18551 5986 1 18 . 1 1 55 55 GLN CA C 55 55.500 55.500 56.010 -0.510 18551 5987 1 18 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.582 0.718 18551 5988 1 18 . 1 1 56 56 VAL N N 56 115.300 115.300 114.615 0.685 18551 5989 1 18 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.120 0.290 18551 5990 1 18 . 1 1 56 56 VAL C C 56 174.500 174.500 174.396 0.104 18551 5991 1 18 . 1 1 56 56 VAL CA C 56 60.900 60.900 61.027 -0.127 18551 5992 1 18 . 1 1 56 56 VAL CB C 56 33.900 33.900 32.982 0.918 18551 5993 1 18 . 1 1 57 57 PHE N N 57 122.700 122.700 120.520 2.180 18551 5994 1 18 . 1 1 57 57 PHE HA H 57 4.830 4.830 4.996 -0.166 18551 5995 1 18 . 1 1 57 57 PHE CA C 57 55.200 55.200 54.965 0.235 18551 5996 1 18 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.237 -0.237 18551 5997 1 18 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.685 0.035 18551 5998 1 18 . 1 1 58 58 PRO C C 58 175.700 175.700 176.313 -0.613 18551 5999 1 18 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.223 -0.123 18551 6000 1 18 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.181 1.119 18551 6001 1 18 . 1 1 59 59 CYS N N 59 125.200 125.200 127.194 -1.994 18551 6002 1 18 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.342 0.078 18551 6003 1 18 . 1 1 59 59 CYS C C 59 176.300 176.300 176.355 -0.055 18551 6004 1 18 . 1 1 59 59 CYS CA C 59 60.800 60.800 59.302 1.498 18551 6005 1 18 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.284 2.216 18551 6006 1 18 . 1 1 60 60 LYS N N 60 126.400 126.400 127.810 -1.410 18551 6007 1 18 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.750 0.410 18551 6008 1 18 . 1 1 60 60 LYS C C 60 176.800 176.800 176.576 0.224 18551 6009 1 18 . 1 1 60 60 LYS CA C 60 57.100 57.100 59.391 -2.291 18551 6010 1 18 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.494 0.906 18551 6011 1 18 . 1 1 61 61 TYR N N 61 121.900 121.900 114.578 7.322 18551 6012 1 18 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.585 -0.075 18551 6013 1 18 . 1 1 61 61 TYR C C 61 174.300 174.300 176.651 -2.351 18551 6014 1 18 . 1 1 61 61 TYR CA C 61 57.700 57.700 57.543 0.157 18551 6015 1 18 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.962 -0.962 18551 6016 1 18 . 1 1 62 62 CYS N N 62 122.800 122.800 117.208 5.592 18551 6017 1 18 . 1 1 62 62 CYS HA H 62 5.070 5.070 5.137 -0.067 18551 6018 1 18 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.419 2.781 18551 6019 1 18 . 1 1 62 62 CYS CB C 62 29.600 29.600 30.090 -0.490 18551 6020 1 18 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.349 0.221 18551 6021 1 18 . 1 1 63 63 PRO C C 63 176.500 176.500 175.628 0.872 18551 6022 1 18 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.413 0.687 18551 6023 1 18 . 1 1 63 63 PRO CB C 63 31.900 31.900 29.721 2.179 18551 6024 1 18 . 1 1 64 64 ALA N N 64 125.400 125.400 128.558 -3.158 18551 6025 1 18 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.264 -0.234 18551 6026 1 18 . 1 1 64 64 ALA C C 64 176.100 176.100 175.459 0.641 18551 6027 1 18 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.736 2.164 18551 6028 1 18 . 1 1 64 64 ALA CB C 64 20.200 20.200 20.635 -0.435 18551 6029 1 18 . 1 1 65 65 THR N N 65 113.200 113.200 119.347 -6.147 18551 6030 1 18 . 1 1 65 65 THR HA H 65 4.440 4.440 4.469 -0.029 18551 6031 1 18 . 1 1 65 65 THR C C 65 171.400 171.400 173.219 -1.819 18551 6032 1 18 . 1 1 65 65 THR CA C 65 61.400 61.400 61.831 -0.431 18551 6033 1 18 . 1 1 65 65 THR CB C 65 71.600 71.600 69.313 2.287 18551 6034 1 18 . 1 1 66 66 PHE N N 66 120.900 120.900 124.194 -3.294 18551 6035 1 18 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.612 -0.192 18551 6036 1 18 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.505 0.695 18551 6037 1 18 . 1 1 66 66 PHE CB C 66 42.700 42.700 42.422 0.278 18551 6038 1 18 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.839 0.441 18551 6039 1 18 . 1 1 67 67 TYR C C 67 174.800 174.800 175.722 -0.922 18551 6040 1 18 . 1 1 67 67 TYR CA C 67 57.800 57.800 57.891 -0.091 18551 6041 1 18 . 1 1 67 67 TYR CB C 67 38.500 38.500 38.686 -0.186 18551 6042 1 18 . 1 1 68 68 SER N N 68 112.800 112.800 114.295 -1.495 18551 6043 1 18 . 1 1 68 68 SER HA H 68 4.440 4.440 4.827 -0.387 18551 6044 1 18 . 1 1 68 68 SER C C 68 172.200 172.200 174.531 -2.331 18551 6045 1 18 . 1 1 68 68 SER CA C 68 57.000 57.000 57.272 -0.272 18551 6046 1 18 . 1 1 68 68 SER CB C 68 66.400 66.400 66.672 -0.272 18551 6047 1 18 . 1 1 69 69 SER N N 69 117.800 117.800 120.400 -2.600 18551 6048 1 18 . 1 1 69 69 SER HA H 69 3.630 3.630 3.481 0.149 18551 6049 1 18 . 1 1 69 69 SER CA C 69 61.900 61.900 62.445 -0.545 18551 6050 1 18 . 1 1 69 69 SER CB C 69 60.900 60.900 60.998 -0.098 18551 6051 1 18 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.273 -0.013 18551 6052 1 18 . 1 1 70 70 PRO C C 70 179.000 179.000 178.609 0.391 18551 6053 1 18 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.114 0.586 18551 6054 1 18 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.216 -0.216 18551 6055 1 18 . 1 1 71 71 GLY N N 71 105.000 105.000 105.883 -0.883 18551 6056 1 18 . 1 1 71 71 GLY C C 71 175.700 175.700 176.030 -0.330 18551 6057 1 18 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.563 0.137 18551 6058 1 18 . 1 1 72 72 LEU N N 72 123.600 123.600 121.414 2.186 18551 6059 1 18 . 1 1 72 72 LEU HA H 72 3.490 3.490 4.112 -0.622 18551 6060 1 18 . 1 1 72 72 LEU C C 72 177.900 177.900 178.677 -0.777 18551 6061 1 18 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.583 0.217 18551 6062 1 18 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.756 -1.456 18551 6063 1 18 . 1 1 73 73 THR N N 73 117.100 117.100 113.645 3.455 18551 6064 1 18 . 1 1 73 73 THR HA H 73 3.710 3.710 4.082 -0.372 18551 6065 1 18 . 1 1 73 73 THR C C 73 176.100 176.100 176.296 -0.196 18551 6066 1 18 . 1 1 73 73 THR CA C 73 67.300 67.300 65.952 1.348 18551 6067 1 18 . 1 1 73 73 THR CB C 73 68.700 68.700 68.393 0.307 18551 6068 1 18 . 1 1 74 74 ARG N N 74 120.200 120.200 121.953 -1.753 18551 6069 1 18 . 1 1 74 74 ARG HA H 74 3.980 3.980 4.061 -0.081 18551 6070 1 18 . 1 1 74 74 ARG C C 74 178.500 178.500 178.139 0.361 18551 6071 1 18 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.488 0.112 18551 6072 1 18 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.560 0.540 18551 6073 1 18 . 1 1 75 75 HIS N N 75 118.700 118.700 119.247 -0.547 18551 6074 1 18 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.428 -0.158 18551 6075 1 18 . 1 1 75 75 HIS C C 75 176.900 176.900 177.730 -0.830 18551 6076 1 18 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.980 -0.380 18551 6077 1 18 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.313 -1.413 18551 6078 1 18 . 1 1 76 76 ILE N N 76 121.600 121.600 117.959 3.641 18551 6079 1 18 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.984 -0.564 18551 6080 1 18 . 1 1 76 76 ILE C C 76 177.800 177.800 177.473 0.327 18551 6081 1 18 . 1 1 76 76 ILE CA C 76 66.300 66.300 64.463 1.837 18551 6082 1 18 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.600 0.400 18551 6083 1 18 . 1 1 77 77 ASN N N 77 115.900 115.900 116.594 -0.694 18551 6084 1 18 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.578 -0.308 18551 6085 1 18 . 1 1 77 77 ASN C C 77 176.400 176.400 176.156 0.244 18551 6086 1 18 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.642 0.158 18551 6087 1 18 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.664 -0.264 18551 6088 1 18 . 1 1 78 78 LYS N N 78 116.200 116.200 119.181 -2.981 18551 6089 1 18 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.260 -0.090 18551 6090 1 18 . 1 1 78 78 LYS C C 78 178.400 178.400 176.261 2.139 18551 6091 1 18 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.206 -0.106 18551 6092 1 18 . 1 1 78 78 LYS CB C 78 34.000 34.000 34.041 -0.042 18551 6093 1 18 . 1 1 79 79 CYS N N 79 113.900 113.900 117.247 -3.347 18551 6094 1 18 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.581 -0.491 18551 6095 1 18 . 1 1 79 79 CYS C C 79 174.200 174.200 174.287 -0.087 18551 6096 1 18 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.887 1.813 18551 6097 1 18 . 1 1 79 79 CYS CB C 79 28.000 28.000 28.678 -0.678 18551 6098 1 18 . 1 1 80 80 HIS N N 80 117.000 117.000 118.203 -1.203 18551 6099 1 18 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.832 0.448 18551 6100 1 18 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.838 -2.138 18551 6101 1 18 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.765 -3.065 18551 6102 1 18 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.891 -0.571 18551 6103 1 18 . 1 1 81 81 PRO C C 81 178.100 178.100 178.056 0.044 18551 6104 1 18 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.332 1.368 18551 6105 1 18 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.200 -0.700 18551 6106 1 18 . 1 1 82 82 SER N N 82 114.100 114.100 116.609 -2.509 18551 6107 1 18 . 1 1 82 82 SER HA H 82 4.340 4.340 4.160 0.180 18551 6108 1 18 . 1 1 82 82 SER C C 82 174.900 174.900 175.524 -0.624 18551 6109 1 18 . 1 1 82 82 SER CA C 82 59.000 59.000 59.724 -0.724 18551 6110 1 18 . 1 1 82 82 SER CB C 82 63.300 63.300 62.994 0.306 18551 6111 1 18 . 1 1 83 83 GLU N N 83 120.600 120.600 123.190 -2.590 18551 6112 1 18 . 1 1 83 83 GLU HA H 83 4.230 4.230 3.856 0.374 18551 6113 1 18 . 1 1 83 83 GLU C C 83 176.300 176.300 176.824 -0.524 18551 6114 1 18 . 1 1 83 83 GLU CA C 83 56.100 56.100 57.970 -1.870 18551 6115 1 18 . 1 1 83 83 GLU CB C 83 29.400 29.400 28.110 1.290 18551 6116 1 18 . 1 1 84 84 ASN N N 84 119.100 119.100 119.339 -0.239 18551 6117 1 18 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.474 0.236 18551 6118 1 18 . 1 1 84 84 ASN C C 84 174.100 174.100 174.425 -0.325 18551 6119 1 18 . 1 1 84 84 ASN CA C 84 53.200 53.200 53.623 -0.423 18551 6120 1 18 . 1 1 84 84 ASN CB C 84 39.000 39.000 38.088 0.912 18551 6121 1 19 . 1 1 11 11 MET HA H 11 4.440 4.440 4.718 -0.278 18551 6122 1 19 . 1 1 11 11 MET C C 11 176.600 176.600 174.753 1.847 18551 6123 1 19 . 1 1 11 11 MET CA C 11 55.600 55.600 55.369 0.231 18551 6124 1 19 . 1 1 11 11 MET CB C 11 32.700 32.700 34.389 -1.690 18551 6125 1 19 . 1 1 12 12 GLY N N 12 110.000 110.000 108.203 1.797 18551 6126 1 19 . 1 1 12 12 GLY C C 12 173.900 173.900 172.394 1.506 18551 6127 1 19 . 1 1 12 12 GLY CA C 12 45.300 45.300 45.060 0.240 18551 6128 1 19 . 1 1 13 13 ASP N N 13 120.500 120.500 120.154 0.346 18551 6129 1 19 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.804 -0.164 18551 6130 1 19 . 1 1 13 13 ASP C C 13 176.900 176.900 176.324 0.576 18551 6131 1 19 . 1 1 13 13 ASP CA C 13 54.500 54.500 53.917 0.583 18551 6132 1 19 . 1 1 13 13 ASP CB C 13 41.400 41.400 42.683 -1.283 18551 6133 1 19 . 1 1 14 14 GLY N N 14 109.300 109.300 109.621 -0.321 18551 6134 1 19 . 1 1 14 14 GLY C C 14 174.500 174.500 174.195 0.305 18551 6135 1 19 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.833 0.667 18551 6136 1 19 . 1 1 15 15 GLU N N 15 120.600 120.600 119.930 0.670 18551 6137 1 19 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.319 -0.039 18551 6138 1 19 . 1 1 15 15 GLU C C 15 177.200 177.200 176.522 0.678 18551 6139 1 19 . 1 1 15 15 GLU CA C 15 56.800 56.800 55.858 0.942 18551 6140 1 19 . 1 1 15 15 GLU CB C 15 30.100 30.100 31.102 -1.002 18551 6141 1 19 . 1 1 16 16 GLY N N 16 109.900 109.900 108.793 1.107 18551 6142 1 19 . 1 1 16 16 GLY C C 16 174.100 174.100 173.246 0.854 18551 6143 1 19 . 1 1 16 16 GLY CA C 16 45.500 45.500 45.093 0.407 18551 6144 1 19 . 1 1 17 17 ALA N N 17 123.500 123.500 123.453 0.047 18551 6145 1 19 . 1 1 17 17 ALA HA H 17 4.300 4.300 5.393 -1.093 18551 6146 1 19 . 1 1 17 17 ALA C C 17 178.300 178.300 177.418 0.882 18551 6147 1 19 . 1 1 17 17 ALA CA C 17 52.800 52.800 51.768 1.032 18551 6148 1 19 . 1 1 17 17 ALA CB C 17 19.300 19.300 21.238 -1.938 18551 6149 1 19 . 1 1 18 18 GLY N N 18 108.000 108.000 110.593 -2.593 18551 6150 1 19 . 1 1 18 18 GLY C C 18 174.400 174.400 173.739 0.661 18551 6151 1 19 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.920 0.480 18551 6152 1 19 . 1 1 19 19 VAL N N 19 119.100 119.100 120.489 -1.389 18551 6153 1 19 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.971 -0.881 18551 6154 1 19 . 1 1 19 19 VAL C C 19 176.400 176.400 175.453 0.947 18551 6155 1 19 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.134 1.366 18551 6156 1 19 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.712 -0.213 18551 6157 1 19 . 1 1 20 20 LEU N N 20 125.100 125.100 120.680 4.420 18551 6158 1 19 . 1 1 20 20 LEU HA H 20 4.330 4.330 5.197 -0.867 18551 6159 1 19 . 1 1 20 20 LEU C C 20 177.900 177.900 176.404 1.496 18551 6160 1 19 . 1 1 20 20 LEU CA C 20 55.400 55.400 55.149 0.251 18551 6161 1 19 . 1 1 20 20 LEU CB C 20 42.200 42.200 44.575 -2.375 18551 6162 1 19 . 1 1 21 21 GLY N N 21 109.300 109.300 108.422 0.878 18551 6163 1 19 . 1 1 21 21 GLY C C 21 174.200 174.200 173.241 0.959 18551 6164 1 19 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.814 0.586 18551 6165 1 19 . 1 1 22 22 LEU N N 22 121.600 121.600 121.399 0.201 18551 6166 1 19 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.819 -0.449 18551 6167 1 19 . 1 1 22 22 LEU C C 22 177.600 177.600 176.265 1.335 18551 6168 1 19 . 1 1 22 22 LEU CA C 22 55.200 55.200 54.746 0.454 18551 6169 1 19 . 1 1 22 22 LEU CB C 22 42.500 42.500 43.012 -0.512 18551 6170 1 19 . 1 1 23 23 SER N N 23 116.500 116.500 117.668 -1.168 18551 6171 1 19 . 1 1 23 23 SER HA H 23 4.440 4.440 4.582 -0.142 18551 6172 1 19 . 1 1 23 23 SER C C 23 174.300 174.300 174.532 -0.232 18551 6173 1 19 . 1 1 23 23 SER CA C 23 58.300 58.300 57.782 0.518 18551 6174 1 19 . 1 1 23 23 SER CB C 23 63.800 63.800 65.665 -1.865 18551 6175 1 19 . 1 1 24 24 ALA N N 24 126.000 126.000 124.112 1.888 18551 6176 1 19 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.137 0.213 18551 6177 1 19 . 1 1 24 24 ALA C C 24 177.700 177.700 177.801 -0.101 18551 6178 1 19 . 1 1 24 24 ALA CA C 24 52.700 52.700 53.436 -0.736 18551 6179 1 19 . 1 1 24 24 ALA CB C 24 19.400 19.400 17.811 1.589 18551 6180 1 19 . 1 1 25 25 SER N N 25 114.700 114.700 113.466 1.234 18551 6181 1 19 . 1 1 25 25 SER HA H 25 4.430 4.430 4.249 0.181 18551 6182 1 19 . 1 1 25 25 SER C C 25 174.200 174.200 174.302 -0.102 18551 6183 1 19 . 1 1 25 25 SER CA C 25 58.200 58.200 58.896 -0.696 18551 6184 1 19 . 1 1 25 25 SER CB C 25 63.900 63.900 63.422 0.478 18551 6185 1 19 . 1 1 26 26 ALA N N 26 125.900 125.900 121.348 4.552 18551 6186 1 19 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.047 0.293 18551 6187 1 19 . 1 1 26 26 ALA C C 26 177.400 177.400 175.974 1.426 18551 6188 1 19 . 1 1 26 26 ALA CA C 26 52.500 52.500 52.283 0.217 18551 6189 1 19 . 1 1 26 26 ALA CB C 26 19.400 19.400 19.209 0.191 18551 6190 1 19 . 1 1 27 27 GLU N N 27 120.100 120.100 121.897 -1.797 18551 6191 1 19 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.322 -0.082 18551 6192 1 19 . 1 1 27 27 GLU C C 27 175.400 175.400 175.891 -0.491 18551 6193 1 19 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.395 -0.195 18551 6194 1 19 . 1 1 27 27 GLU CB C 27 30.700 30.700 30.215 0.485 18551 6195 1 19 . 1 1 28 28 CYS N N 28 119.400 119.400 125.620 -6.220 18551 6196 1 19 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.544 0.046 18551 6197 1 19 . 1 1 28 28 CYS C C 28 173.000 173.000 173.450 -0.450 18551 6198 1 19 . 1 1 28 28 CYS CA C 28 57.900 57.900 58.804 -0.904 18551 6199 1 19 . 1 1 28 28 CYS CB C 28 28.700 28.700 29.750 -1.050 18551 6200 1 19 . 1 1 29 29 HIS N N 29 124.500 124.500 119.780 4.720 18551 6201 1 19 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.859 -0.219 18551 6202 1 19 . 1 1 29 29 HIS C C 29 174.700 174.700 173.286 1.414 18551 6203 1 19 . 1 1 29 29 HIS CA C 29 55.300 55.300 55.569 -0.269 18551 6204 1 19 . 1 1 29 29 HIS CB C 29 32.400 32.400 32.291 0.109 18551 6205 1 19 . 1 1 30 30 LEU N N 30 123.900 123.900 123.933 -0.033 18551 6206 1 19 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.265 -0.195 18551 6207 1 19 . 1 1 30 30 LEU C C 30 178.500 178.500 177.246 1.254 18551 6208 1 19 . 1 1 30 30 LEU CA C 30 53.800 53.800 52.786 1.014 18551 6209 1 19 . 1 1 30 30 LEU CB C 30 43.700 43.700 44.412 -0.712 18551 6210 1 19 . 1 1 31 31 CYS N N 31 126.700 126.700 125.900 0.800 18551 6211 1 19 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.938 -0.128 18551 6212 1 19 . 1 1 31 31 CYS C C 31 53.800 53.800 175.647 -121.847 18551 6213 1 19 . 1 1 31 31 CYS CA C 31 57.100 57.100 56.076 1.024 18551 6214 1 19 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.878 3.422 18551 6215 1 19 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.275 0.185 18551 6216 1 19 . 1 1 32 32 PRO C C 32 176.000 176.000 176.108 -0.108 18551 6217 1 19 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.031 -1.031 18551 6218 1 19 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.093 1.107 18551 6219 1 19 . 1 1 33 33 VAL N N 33 122.000 122.000 113.727 8.273 18551 6220 1 19 . 1 1 33 33 VAL HA H 33 3.810 3.810 4.197 -0.387 18551 6221 1 19 . 1 1 33 33 VAL C C 33 176.700 176.700 175.707 0.993 18551 6222 1 19 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.010 2.790 18551 6223 1 19 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.049 0.651 18551 6224 1 19 . 1 1 34 34 CYS N N 34 117.100 117.100 116.361 0.739 18551 6225 1 19 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.838 0.332 18551 6226 1 19 . 1 1 34 34 CYS C C 34 176.800 176.800 173.923 2.877 18551 6227 1 19 . 1 1 34 34 CYS CA C 34 58.500 58.500 57.446 1.054 18551 6228 1 19 . 1 1 34 34 CYS CB C 34 32.700 32.700 30.917 1.783 18551 6229 1 19 . 1 1 35 35 GLY N N 35 112.500 112.500 108.932 3.568 18551 6230 1 19 . 1 1 35 35 GLY C C 35 173.200 173.200 174.131 -0.931 18551 6231 1 19 . 1 1 35 35 GLY CA C 35 46.400 46.400 45.742 0.658 18551 6232 1 19 . 1 1 36 36 GLU N N 36 122.500 122.500 125.503 -3.003 18551 6233 1 19 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.336 -0.346 18551 6234 1 19 . 1 1 36 36 GLU C C 36 173.800 173.800 174.953 -1.153 18551 6235 1 19 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.385 2.515 18551 6236 1 19 . 1 1 36 36 GLU CB C 36 30.500 30.500 32.035 -1.534 18551 6237 1 19 . 1 1 37 37 SER N N 37 116.300 116.300 117.313 -1.013 18551 6238 1 19 . 1 1 37 37 SER HA H 37 4.820 4.820 4.421 0.399 18551 6239 1 19 . 1 1 37 37 SER C C 37 173.300 173.300 173.416 -0.116 18551 6240 1 19 . 1 1 37 37 SER CA C 37 57.200 57.200 57.993 -0.793 18551 6241 1 19 . 1 1 37 37 SER CB C 37 65.300 65.300 63.107 2.193 18551 6242 1 19 . 1 1 38 38 PHE N N 38 120.000 120.000 124.229 -4.229 18551 6243 1 19 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.910 -0.260 18551 6244 1 19 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.091 0.309 18551 6245 1 19 . 1 1 38 38 PHE CB C 38 44.000 44.000 43.011 0.989 18551 6246 1 19 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.280 0.309 18551 6247 1 19 . 1 1 39 39 ALA C C 39 176.700 176.700 176.920 -0.220 18551 6248 1 19 . 1 1 39 39 ALA CA C 39 52.700 52.700 54.265 -1.565 18551 6249 1 19 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.213 0.187 18551 6250 1 19 . 1 1 40 40 SER N N 40 107.500 107.500 112.101 -4.601 18551 6251 1 19 . 1 1 40 40 SER HA H 40 4.560 4.560 4.502 0.058 18551 6252 1 19 . 1 1 40 40 SER C C 40 173.400 173.400 175.156 -1.756 18551 6253 1 19 . 1 1 40 40 SER CA C 40 56.100 56.100 57.626 -1.526 18551 6254 1 19 . 1 1 40 40 SER CB C 40 66.400 66.400 64.518 1.882 18551 6255 1 19 . 1 1 41 41 LYS N N 41 124.400 124.400 125.314 -0.914 18551 6256 1 19 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.299 0.141 18551 6257 1 19 . 1 1 41 41 LYS C C 41 178.600 178.600 178.174 0.426 18551 6258 1 19 . 1 1 41 41 LYS CA C 41 58.200 58.200 59.204 -1.004 18551 6259 1 19 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.032 0.068 18551 6260 1 19 . 1 1 42 42 GLY N N 42 105.900 105.900 107.543 -1.643 18551 6261 1 19 . 1 1 42 42 GLY C C 42 176.700 176.700 175.496 1.204 18551 6262 1 19 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.709 0.192 18551 6263 1 19 . 1 1 43 43 ALA N N 43 123.500 123.500 121.744 1.756 18551 6264 1 19 . 1 1 43 43 ALA HA H 43 4.050 4.050 4.020 0.030 18551 6265 1 19 . 1 1 43 43 ALA C C 43 179.700 179.700 178.332 1.368 18551 6266 1 19 . 1 1 43 43 ALA CA C 43 54.700 54.700 53.755 0.945 18551 6267 1 19 . 1 1 43 43 ALA CB C 43 18.800 18.800 17.632 1.168 18551 6268 1 19 . 1 1 44 44 GLN N N 44 121.800 121.800 118.401 3.399 18551 6269 1 19 . 1 1 44 44 GLN HA H 44 2.600 2.600 4.282 -1.682 18551 6270 1 19 . 1 1 44 44 GLN C C 44 177.500 177.500 178.167 -0.667 18551 6271 1 19 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.162 1.238 18551 6272 1 19 . 1 1 44 44 GLN CB C 44 27.600 27.600 29.309 -1.709 18551 6273 1 19 . 1 1 45 45 GLU N N 45 120.200 120.200 120.072 0.128 18551 6274 1 19 . 1 1 45 45 GLU HA H 45 3.770 3.770 3.971 -0.201 18551 6275 1 19 . 1 1 45 45 GLU C C 45 179.000 179.000 178.808 0.192 18551 6276 1 19 . 1 1 45 45 GLU CA C 45 59.900 59.900 59.222 0.678 18551 6277 1 19 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.400 -0.000 18551 6278 1 19 . 1 1 46 46 ARG N N 46 119.900 119.900 118.481 1.419 18551 6279 1 19 . 1 1 46 46 ARG HA H 46 3.900 3.900 3.933 -0.033 18551 6280 1 19 . 1 1 46 46 ARG C C 46 177.800 177.800 178.333 -0.533 18551 6281 1 19 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.173 0.427 18551 6282 1 19 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.381 0.719 18551 6283 1 19 . 1 1 47 47 HIS N N 47 118.200 118.200 119.680 -1.480 18551 6284 1 19 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.386 -0.246 18551 6285 1 19 . 1 1 47 47 HIS C C 47 176.300 176.300 177.398 -1.098 18551 6286 1 19 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.754 -0.154 18551 6287 1 19 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.500 -2.600 18551 6288 1 19 . 1 1 48 48 LEU N N 48 120.000 120.000 118.464 1.536 18551 6289 1 19 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.152 -0.342 18551 6290 1 19 . 1 1 48 48 LEU C C 48 178.500 178.500 178.564 -0.064 18551 6291 1 19 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.936 1.264 18551 6292 1 19 . 1 1 48 48 LEU CB C 48 42.700 42.700 42.035 0.665 18551 6293 1 19 . 1 1 49 49 ARG N N 49 115.400 115.400 117.713 -2.313 18551 6294 1 19 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.143 -0.243 18551 6295 1 19 . 1 1 49 49 ARG C C 49 177.600 177.600 177.840 -0.240 18551 6296 1 19 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.597 0.103 18551 6297 1 19 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.105 0.395 18551 6298 1 19 . 1 1 50 50 LEU N N 50 117.200 117.200 118.722 -1.522 18551 6299 1 19 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.216 -0.016 18551 6300 1 19 . 1 1 50 50 LEU C C 50 179.000 179.000 178.414 0.586 18551 6301 1 19 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.704 0.096 18551 6302 1 19 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.494 0.206 18551 6303 1 19 . 1 1 51 51 LEU N N 51 117.800 117.800 115.737 2.063 18551 6304 1 19 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.202 0.068 18551 6305 1 19 . 1 1 51 51 LEU C C 51 178.100 178.100 178.021 0.079 18551 6306 1 19 . 1 1 51 51 LEU CA C 51 55.000 55.000 55.675 -0.675 18551 6307 1 19 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.481 -1.281 18551 6308 1 19 . 1 1 52 52 HIS N N 52 115.300 115.300 116.519 -1.219 18551 6309 1 19 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.765 0.595 18551 6310 1 19 . 1 1 52 52 HIS C C 52 175.000 175.000 174.643 0.357 18551 6311 1 19 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.501 -1.701 18551 6312 1 19 . 1 1 52 52 HIS CB C 52 28.900 28.900 30.334 -1.434 18551 6313 1 19 . 1 1 53 53 ALA N N 53 122.100 122.100 121.431 0.669 18551 6314 1 19 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.488 -0.418 18551 6315 1 19 . 1 1 53 53 ALA C C 53 178.300 178.300 177.262 1.038 18551 6316 1 19 . 1 1 53 53 ALA CA C 53 54.600 54.600 52.690 1.910 18551 6317 1 19 . 1 1 53 53 ALA CB C 53 18.600 18.600 19.044 -0.444 18551 6318 1 19 . 1 1 54 54 ALA N N 54 118.200 118.200 118.813 -0.613 18551 6319 1 19 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.010 0.280 18551 6320 1 19 . 1 1 54 54 ALA C C 54 177.700 177.700 178.759 -1.059 18551 6321 1 19 . 1 1 54 54 ALA CA C 54 52.800 52.800 53.882 -1.082 18551 6322 1 19 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.649 0.350 18551 6323 1 19 . 1 1 55 55 GLN N N 55 118.200 118.200 114.961 3.239 18551 6324 1 19 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.078 0.302 18551 6325 1 19 . 1 1 55 55 GLN C C 55 173.700 173.700 176.068 -2.368 18551 6326 1 19 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.830 -0.330 18551 6327 1 19 . 1 1 55 55 GLN CB C 55 30.300 30.300 30.079 0.221 18551 6328 1 19 . 1 1 56 56 VAL N N 56 115.300 115.300 114.540 0.760 18551 6329 1 19 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.231 0.179 18551 6330 1 19 . 1 1 56 56 VAL C C 56 174.500 174.500 174.405 0.095 18551 6331 1 19 . 1 1 56 56 VAL CA C 56 60.900 60.900 60.919 -0.019 18551 6332 1 19 . 1 1 56 56 VAL CB C 56 33.900 33.900 33.082 0.818 18551 6333 1 19 . 1 1 57 57 PHE N N 57 122.700 122.700 119.684 3.016 18551 6334 1 19 . 1 1 57 57 PHE HA H 57 4.830 4.830 4.994 -0.164 18551 6335 1 19 . 1 1 57 57 PHE CA C 57 55.200 55.200 54.962 0.238 18551 6336 1 19 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.549 -0.549 18551 6337 1 19 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.858 -0.138 18551 6338 1 19 . 1 1 58 58 PRO C C 58 175.700 175.700 176.685 -0.985 18551 6339 1 19 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.370 -0.270 18551 6340 1 19 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.201 1.099 18551 6341 1 19 . 1 1 59 59 CYS N N 59 125.200 125.200 126.306 -1.106 18551 6342 1 19 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.473 -0.053 18551 6343 1 19 . 1 1 59 59 CYS C C 59 176.300 176.300 176.390 -0.090 18551 6344 1 19 . 1 1 59 59 CYS CA C 59 60.800 60.800 60.204 0.596 18551 6345 1 19 . 1 1 59 59 CYS CB C 59 29.500 29.500 28.499 1.001 18551 6346 1 19 . 1 1 60 60 LYS N N 60 126.400 126.400 129.541 -3.141 18551 6347 1 19 . 1 1 60 60 LYS HA H 60 4.160 4.160 4.086 0.074 18551 6348 1 19 . 1 1 60 60 LYS C C 60 176.800 176.800 176.256 0.544 18551 6349 1 19 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.553 -1.453 18551 6350 1 19 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.836 0.564 18551 6351 1 19 . 1 1 61 61 TYR N N 61 121.900 121.900 115.998 5.902 18551 6352 1 19 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.578 -0.068 18551 6353 1 19 . 1 1 61 61 TYR C C 61 174.300 174.300 176.027 -1.727 18551 6354 1 19 . 1 1 61 61 TYR CA C 61 57.700 57.700 58.225 -0.525 18551 6355 1 19 . 1 1 61 61 TYR CB C 61 38.000 38.000 39.642 -1.642 18551 6356 1 19 . 1 1 62 62 CYS N N 62 122.800 122.800 118.053 4.747 18551 6357 1 19 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.992 0.078 18551 6358 1 19 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.183 3.017 18551 6359 1 19 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.511 0.089 18551 6360 1 19 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.329 0.241 18551 6361 1 19 . 1 1 63 63 PRO C C 63 176.500 176.500 175.792 0.708 18551 6362 1 19 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.839 0.261 18551 6363 1 19 . 1 1 63 63 PRO CB C 63 31.900 31.900 30.349 1.550 18551 6364 1 19 . 1 1 64 64 ALA N N 64 125.400 125.400 127.849 -2.449 18551 6365 1 19 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.508 -0.478 18551 6366 1 19 . 1 1 64 64 ALA C C 64 176.100 176.100 175.523 0.577 18551 6367 1 19 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.942 1.958 18551 6368 1 19 . 1 1 64 64 ALA CB C 64 20.200 20.200 21.198 -0.998 18551 6369 1 19 . 1 1 65 65 THR N N 65 113.200 113.200 115.284 -2.084 18551 6370 1 19 . 1 1 65 65 THR HA H 65 4.440 4.440 4.580 -0.140 18551 6371 1 19 . 1 1 65 65 THR C C 65 171.400 171.400 173.267 -1.867 18551 6372 1 19 . 1 1 65 65 THR CA C 65 61.400 61.400 60.728 0.672 18551 6373 1 19 . 1 1 65 65 THR CB C 65 71.600 71.600 69.141 2.459 18551 6374 1 19 . 1 1 66 66 PHE N N 66 120.900 120.900 125.583 -4.683 18551 6375 1 19 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.831 -0.411 18551 6376 1 19 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.920 0.280 18551 6377 1 19 . 1 1 66 66 PHE CB C 66 42.700 42.700 41.397 1.303 18551 6378 1 19 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.671 0.609 18551 6379 1 19 . 1 1 67 67 TYR C C 67 174.800 174.800 174.804 -0.004 18551 6380 1 19 . 1 1 67 67 TYR CA C 67 57.800 57.800 59.754 -1.954 18551 6381 1 19 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.120 -0.620 18551 6382 1 19 . 1 1 68 68 SER N N 68 112.800 112.800 113.352 -0.552 18551 6383 1 19 . 1 1 68 68 SER HA H 68 4.440 4.440 4.748 -0.308 18551 6384 1 19 . 1 1 68 68 SER C C 68 172.200 172.200 174.703 -2.503 18551 6385 1 19 . 1 1 68 68 SER CA C 68 57.000 57.000 57.212 -0.212 18551 6386 1 19 . 1 1 68 68 SER CB C 68 66.400 66.400 66.409 -0.009 18551 6387 1 19 . 1 1 69 69 SER N N 69 117.800 117.800 120.437 -2.637 18551 6388 1 19 . 1 1 69 69 SER HA H 69 3.630 3.630 3.841 -0.211 18551 6389 1 19 . 1 1 69 69 SER CA C 69 61.900 61.900 61.620 0.280 18551 6390 1 19 . 1 1 69 69 SER CB C 69 60.900 60.900 60.734 0.166 18551 6391 1 19 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.171 0.089 18551 6392 1 19 . 1 1 70 70 PRO C C 70 179.000 179.000 178.929 0.071 18551 6393 1 19 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.630 0.070 18551 6394 1 19 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.178 -0.178 18551 6395 1 19 . 1 1 71 71 GLY N N 71 105.000 105.000 105.392 -0.392 18551 6396 1 19 . 1 1 71 71 GLY C C 71 175.700 175.700 175.759 -0.059 18551 6397 1 19 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.180 0.520 18551 6398 1 19 . 1 1 72 72 LEU N N 72 123.600 123.600 122.513 1.087 18551 6399 1 19 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.751 -0.261 18551 6400 1 19 . 1 1 72 72 LEU C C 72 177.900 177.900 178.781 -0.881 18551 6401 1 19 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.452 0.348 18551 6402 1 19 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.733 -1.433 18551 6403 1 19 . 1 1 73 73 THR N N 73 117.100 117.100 114.031 3.069 18551 6404 1 19 . 1 1 73 73 THR HA H 73 3.710 3.710 3.952 -0.242 18551 6405 1 19 . 1 1 73 73 THR C C 73 176.100 176.100 176.933 -0.833 18551 6406 1 19 . 1 1 73 73 THR CA C 73 67.300 67.300 66.416 0.884 18551 6407 1 19 . 1 1 73 73 THR CB C 73 68.700 68.700 68.311 0.389 18551 6408 1 19 . 1 1 74 74 ARG N N 74 120.200 120.200 121.818 -1.618 18551 6409 1 19 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.959 0.021 18551 6410 1 19 . 1 1 74 74 ARG C C 74 178.500 178.500 178.527 -0.027 18551 6411 1 19 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.412 0.188 18551 6412 1 19 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.915 0.185 18551 6413 1 19 . 1 1 75 75 HIS N N 75 118.700 118.700 119.465 -0.765 18551 6414 1 19 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.344 -0.074 18551 6415 1 19 . 1 1 75 75 HIS C C 75 176.900 176.900 177.477 -0.577 18551 6416 1 19 . 1 1 75 75 HIS CA C 75 59.600 59.600 60.041 -0.441 18551 6417 1 19 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.383 -1.483 18551 6418 1 19 . 1 1 76 76 ILE N N 76 121.600 121.600 116.938 4.662 18551 6419 1 19 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.990 -0.570 18551 6420 1 19 . 1 1 76 76 ILE C C 76 177.800 177.800 178.134 -0.334 18551 6421 1 19 . 1 1 76 76 ILE CA C 76 66.300 66.300 64.668 1.631 18551 6422 1 19 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.662 0.338 18551 6423 1 19 . 1 1 77 77 ASN N N 77 115.900 115.900 117.845 -1.945 18551 6424 1 19 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.542 -0.272 18551 6425 1 19 . 1 1 77 77 ASN C C 77 176.400 176.400 176.870 -0.470 18551 6426 1 19 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.977 -0.177 18551 6427 1 19 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.763 -0.363 18551 6428 1 19 . 1 1 78 78 LYS N N 78 116.200 116.200 120.024 -3.824 18551 6429 1 19 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.248 -0.078 18551 6430 1 19 . 1 1 78 78 LYS C C 78 178.400 178.400 176.843 1.557 18551 6431 1 19 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.282 -0.182 18551 6432 1 19 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.077 0.923 18551 6433 1 19 . 1 1 79 79 CYS N N 79 113.900 113.900 118.760 -4.860 18551 6434 1 19 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.347 -0.257 18551 6435 1 19 . 1 1 79 79 CYS C C 79 174.200 174.200 174.409 -0.209 18551 6436 1 19 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.689 2.011 18551 6437 1 19 . 1 1 79 79 CYS CB C 79 28.000 28.000 27.670 0.330 18551 6438 1 19 . 1 1 80 80 HIS N N 80 117.000 117.000 117.347 -0.347 18551 6439 1 19 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.772 0.508 18551 6440 1 19 . 1 1 80 80 HIS CA C 80 51.700 51.700 54.433 -2.733 18551 6441 1 19 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.383 -2.683 18551 6442 1 19 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.839 -0.519 18551 6443 1 19 . 1 1 81 81 PRO C C 81 178.100 178.100 176.577 1.523 18551 6444 1 19 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.678 1.022 18551 6445 1 19 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.008 -0.508 18551 6446 1 19 . 1 1 82 82 SER N N 82 114.100 114.100 114.149 -0.049 18551 6447 1 19 . 1 1 82 82 SER HA H 82 4.340 4.340 4.392 -0.052 18551 6448 1 19 . 1 1 82 82 SER C C 82 174.900 174.900 173.801 1.099 18551 6449 1 19 . 1 1 82 82 SER CA C 82 59.000 59.000 58.474 0.527 18551 6450 1 19 . 1 1 82 82 SER CB C 82 63.300 63.300 63.938 -0.638 18551 6451 1 19 . 1 1 83 83 GLU N N 83 120.600 120.600 119.294 1.306 18551 6452 1 19 . 1 1 83 83 GLU HA H 83 4.230 4.230 3.978 0.252 18551 6453 1 19 . 1 1 83 83 GLU C C 83 176.300 176.300 175.269 1.031 18551 6454 1 19 . 1 1 83 83 GLU CA C 83 56.100 56.100 56.998 -0.898 18551 6455 1 19 . 1 1 83 83 GLU CB C 83 29.400 29.400 26.780 2.620 18551 6456 1 19 . 1 1 84 84 ASN N N 84 119.100 119.100 116.836 2.264 18551 6457 1 19 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.684 0.026 18551 6458 1 19 . 1 1 84 84 ASN C C 84 174.100 174.100 175.494 -1.394 18551 6459 1 19 . 1 1 84 84 ASN CA C 84 53.200 53.200 52.709 0.491 18551 6460 1 19 . 1 1 84 84 ASN CB C 84 39.000 39.000 39.048 -0.048 18551 6461 1 20 . 1 1 11 11 MET HA H 11 4.440 4.440 4.290 0.150 18551 6462 1 20 . 1 1 11 11 MET C C 11 176.600 176.600 176.113 0.487 18551 6463 1 20 . 1 1 11 11 MET CA C 11 55.600 55.600 55.035 0.565 18551 6464 1 20 . 1 1 11 11 MET CB C 11 32.700 32.700 34.420 -1.720 18551 6465 1 20 . 1 1 12 12 GLY N N 12 110.000 110.000 109.629 0.371 18551 6466 1 20 . 1 1 12 12 GLY C C 12 173.900 173.900 173.660 0.240 18551 6467 1 20 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.916 0.383 18551 6468 1 20 . 1 1 13 13 ASP N N 13 120.500 120.500 120.546 -0.046 18551 6469 1 20 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.303 0.337 18551 6470 1 20 . 1 1 13 13 ASP C C 13 176.900 176.900 176.870 0.030 18551 6471 1 20 . 1 1 13 13 ASP CA C 13 54.500 54.500 55.022 -0.522 18551 6472 1 20 . 1 1 13 13 ASP CB C 13 41.400 41.400 39.983 1.417 18551 6473 1 20 . 1 1 14 14 GLY N N 14 109.300 109.300 115.784 -6.484 18551 6474 1 20 . 1 1 14 14 GLY C C 14 174.500 174.500 174.137 0.363 18551 6475 1 20 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.989 0.511 18551 6476 1 20 . 1 1 15 15 GLU N N 15 120.600 120.600 121.737 -1.137 18551 6477 1 20 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.563 -0.283 18551 6478 1 20 . 1 1 15 15 GLU C C 15 177.200 177.200 176.526 0.674 18551 6479 1 20 . 1 1 15 15 GLU CA C 15 56.800 56.800 55.891 0.909 18551 6480 1 20 . 1 1 15 15 GLU CB C 15 30.100 30.100 30.229 -0.129 18551 6481 1 20 . 1 1 16 16 GLY N N 16 109.900 109.900 106.342 3.558 18551 6482 1 20 . 1 1 16 16 GLY C C 16 174.100 174.100 173.618 0.482 18551 6483 1 20 . 1 1 16 16 GLY CA C 16 45.500 45.500 45.320 0.180 18551 6484 1 20 . 1 1 17 17 ALA N N 17 123.500 123.500 124.609 -1.109 18551 6485 1 20 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.290 0.010 18551 6486 1 20 . 1 1 17 17 ALA C C 17 178.300 178.300 177.076 1.224 18551 6487 1 20 . 1 1 17 17 ALA CA C 17 52.800 52.800 52.525 0.275 18551 6488 1 20 . 1 1 17 17 ALA CB C 17 19.300 19.300 16.924 2.377 18551 6489 1 20 . 1 1 18 18 GLY N N 18 108.000 108.000 111.723 -3.723 18551 6490 1 20 . 1 1 18 18 GLY C C 18 174.400 174.400 173.857 0.543 18551 6491 1 20 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.503 -0.103 18551 6492 1 20 . 1 1 19 19 VAL N N 19 119.100 119.100 120.567 -1.467 18551 6493 1 20 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.488 -0.398 18551 6494 1 20 . 1 1 19 19 VAL C C 19 176.400 176.400 176.036 0.364 18551 6495 1 20 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.314 1.186 18551 6496 1 20 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.798 -0.298 18551 6497 1 20 . 1 1 20 20 LEU N N 20 125.100 125.100 121.113 3.987 18551 6498 1 20 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.464 -0.134 18551 6499 1 20 . 1 1 20 20 LEU C C 20 177.900 177.900 177.020 0.880 18551 6500 1 20 . 1 1 20 20 LEU CA C 20 55.400 55.400 55.335 0.065 18551 6501 1 20 . 1 1 20 20 LEU CB C 20 42.200 42.200 42.028 0.172 18551 6502 1 20 . 1 1 21 21 GLY N N 21 109.300 109.300 110.299 -0.999 18551 6503 1 20 . 1 1 21 21 GLY C C 21 174.200 174.200 174.294 -0.094 18551 6504 1 20 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.624 0.776 18551 6505 1 20 . 1 1 22 22 LEU N N 22 121.600 121.600 120.600 1.000 18551 6506 1 20 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.273 0.097 18551 6507 1 20 . 1 1 22 22 LEU C C 22 177.600 177.600 177.443 0.157 18551 6508 1 20 . 1 1 22 22 LEU CA C 22 55.200 55.200 56.176 -0.976 18551 6509 1 20 . 1 1 22 22 LEU CB C 22 42.500 42.500 42.414 0.086 18551 6510 1 20 . 1 1 23 23 SER N N 23 116.500 116.500 110.660 5.840 18551 6511 1 20 . 1 1 23 23 SER HA H 23 4.440 4.440 4.542 -0.102 18551 6512 1 20 . 1 1 23 23 SER C C 23 174.300 174.300 173.488 0.812 18551 6513 1 20 . 1 1 23 23 SER CA C 23 58.300 58.300 57.940 0.360 18551 6514 1 20 . 1 1 23 23 SER CB C 23 63.800 63.800 63.870 -0.070 18551 6515 1 20 . 1 1 24 24 ALA N N 24 126.000 126.000 124.858 1.142 18551 6516 1 20 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.538 -0.188 18551 6517 1 20 . 1 1 24 24 ALA C C 24 177.700 177.700 178.049 -0.349 18551 6518 1 20 . 1 1 24 24 ALA CA C 24 52.700 52.700 52.792 -0.092 18551 6519 1 20 . 1 1 24 24 ALA CB C 24 19.400 19.400 19.197 0.203 18551 6520 1 20 . 1 1 25 25 SER N N 25 114.700 114.700 114.582 0.118 18551 6521 1 20 . 1 1 25 25 SER HA H 25 4.430 4.430 4.637 -0.207 18551 6522 1 20 . 1 1 25 25 SER C C 25 174.200 174.200 174.225 -0.025 18551 6523 1 20 . 1 1 25 25 SER CA C 25 58.200 58.200 57.422 0.777 18551 6524 1 20 . 1 1 25 25 SER CB C 25 63.900 63.900 64.198 -0.298 18551 6525 1 20 . 1 1 26 26 ALA N N 26 125.900 125.900 124.131 1.769 18551 6526 1 20 . 1 1 26 26 ALA HA H 26 4.340 4.340 3.952 0.388 18551 6527 1 20 . 1 1 26 26 ALA C C 26 177.400 177.400 176.543 0.857 18551 6528 1 20 . 1 1 26 26 ALA CA C 26 52.500 52.500 53.172 -0.672 18551 6529 1 20 . 1 1 26 26 ALA CB C 26 19.400 19.400 17.626 1.774 18551 6530 1 20 . 1 1 27 27 GLU N N 27 120.100 120.100 119.383 0.717 18551 6531 1 20 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.233 0.007 18551 6532 1 20 . 1 1 27 27 GLU C C 27 175.400 175.400 177.577 -2.177 18551 6533 1 20 . 1 1 27 27 GLU CA C 27 56.200 56.200 57.518 -1.318 18551 6534 1 20 . 1 1 27 27 GLU CB C 27 30.700 30.700 29.911 0.789 18551 6535 1 20 . 1 1 28 28 CYS N N 28 119.400 119.400 115.879 3.521 18551 6536 1 20 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.035 0.555 18551 6537 1 20 . 1 1 28 28 CYS C C 28 173.000 173.000 174.699 -1.699 18551 6538 1 20 . 1 1 28 28 CYS CA C 28 57.900 57.900 61.491 -3.591 18551 6539 1 20 . 1 1 28 28 CYS CB C 28 28.700 28.700 27.407 1.293 18551 6540 1 20 . 1 1 29 29 HIS N N 29 124.500 124.500 118.787 5.713 18551 6541 1 20 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.795 -0.155 18551 6542 1 20 . 1 1 29 29 HIS C C 29 174.700 174.700 173.438 1.262 18551 6543 1 20 . 1 1 29 29 HIS CA C 29 55.300 55.300 55.191 0.110 18551 6544 1 20 . 1 1 29 29 HIS CB C 29 32.400 32.400 31.529 0.871 18551 6545 1 20 . 1 1 30 30 LEU N N 30 123.900 123.900 125.749 -1.849 18551 6546 1 20 . 1 1 30 30 LEU HA H 30 5.070 5.070 4.773 0.297 18551 6547 1 20 . 1 1 30 30 LEU C C 30 178.500 178.500 176.971 1.529 18551 6548 1 20 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.668 0.132 18551 6549 1 20 . 1 1 30 30 LEU CB C 30 43.700 43.700 43.749 -0.049 18551 6550 1 20 . 1 1 31 31 CYS N N 31 126.700 126.700 124.722 1.978 18551 6551 1 20 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.775 0.035 18551 6552 1 20 . 1 1 31 31 CYS C C 31 53.800 53.800 174.855 -121.055 18551 6553 1 20 . 1 1 31 31 CYS CA C 31 57.100 57.100 57.107 -0.007 18551 6554 1 20 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.498 3.802 18551 6555 1 20 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.072 0.388 18551 6556 1 20 . 1 1 32 32 PRO C C 32 176.000 176.000 176.772 -0.772 18551 6557 1 20 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.654 -1.654 18551 6558 1 20 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.402 0.798 18551 6559 1 20 . 1 1 33 33 VAL N N 33 122.000 122.000 112.884 9.116 18551 6560 1 20 . 1 1 33 33 VAL HA H 33 3.810 3.810 3.820 -0.010 18551 6561 1 20 . 1 1 33 33 VAL C C 33 176.700 176.700 176.219 0.481 18551 6562 1 20 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.943 1.857 18551 6563 1 20 . 1 1 33 33 VAL CB C 33 32.700 32.700 31.679 1.021 18551 6564 1 20 . 1 1 34 34 CYS N N 34 117.100 117.100 118.165 -1.065 18551 6565 1 20 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.842 0.328 18551 6566 1 20 . 1 1 34 34 CYS C C 34 176.800 176.800 175.175 1.625 18551 6567 1 20 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.358 2.142 18551 6568 1 20 . 1 1 34 34 CYS CB C 34 32.700 32.700 28.705 3.995 18551 6569 1 20 . 1 1 35 35 GLY N N 35 112.500 112.500 110.304 2.196 18551 6570 1 20 . 1 1 35 35 GLY C C 35 173.200 173.200 173.559 -0.359 18551 6571 1 20 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.378 0.022 18551 6572 1 20 . 1 1 36 36 GLU N N 36 122.500 122.500 124.506 -2.006 18551 6573 1 20 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.086 -0.096 18551 6574 1 20 . 1 1 36 36 GLU C C 36 173.800 173.800 174.833 -1.033 18551 6575 1 20 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.041 2.859 18551 6576 1 20 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.149 -0.649 18551 6577 1 20 . 1 1 37 37 SER N N 37 116.300 116.300 122.239 -5.939 18551 6578 1 20 . 1 1 37 37 SER HA H 37 4.820 4.820 4.470 0.350 18551 6579 1 20 . 1 1 37 37 SER C C 37 173.300 173.300 173.425 -0.125 18551 6580 1 20 . 1 1 37 37 SER CA C 37 57.200 57.200 59.321 -2.121 18551 6581 1 20 . 1 1 37 37 SER CB C 37 65.300 65.300 63.314 1.986 18551 6582 1 20 . 1 1 38 38 PHE N N 38 120.000 120.000 124.543 -4.543 18551 6583 1 20 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.828 -0.178 18551 6584 1 20 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.002 0.398 18551 6585 1 20 . 1 1 38 38 PHE CB C 38 44.000 44.000 41.808 2.192 18551 6586 1 20 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.225 0.365 18551 6587 1 20 . 1 1 39 39 ALA C C 39 176.700 176.700 177.163 -0.463 18551 6588 1 20 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.889 -1.189 18551 6589 1 20 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.184 0.216 18551 6590 1 20 . 1 1 40 40 SER N N 40 107.500 107.500 110.253 -2.753 18551 6591 1 20 . 1 1 40 40 SER HA H 40 4.560 4.560 4.626 -0.066 18551 6592 1 20 . 1 1 40 40 SER C C 40 173.400 173.400 174.503 -1.103 18551 6593 1 20 . 1 1 40 40 SER CA C 40 56.100 56.100 56.614 -0.514 18551 6594 1 20 . 1 1 40 40 SER CB C 40 66.400 66.400 64.611 1.789 18551 6595 1 20 . 1 1 41 41 LYS N N 41 124.400 124.400 125.724 -1.324 18551 6596 1 20 . 1 1 41 41 LYS HA H 41 3.440 3.440 4.081 -0.641 18551 6597 1 20 . 1 1 41 41 LYS C C 41 178.600 178.600 178.078 0.522 18551 6598 1 20 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.166 0.034 18551 6599 1 20 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.430 -0.330 18551 6600 1 20 . 1 1 42 42 GLY N N 42 105.900 105.900 106.790 -0.890 18551 6601 1 20 . 1 1 42 42 GLY C C 42 176.700 176.700 175.405 1.295 18551 6602 1 20 . 1 1 42 42 GLY CA C 42 46.900 46.900 47.055 -0.155 18551 6603 1 20 . 1 1 43 43 ALA N N 43 123.500 123.500 123.324 0.176 18551 6604 1 20 . 1 1 43 43 ALA HA H 43 4.050 4.050 3.896 0.154 18551 6605 1 20 . 1 1 43 43 ALA C C 43 179.700 179.700 178.742 0.958 18551 6606 1 20 . 1 1 43 43 ALA CA C 43 54.700 54.700 53.803 0.897 18551 6607 1 20 . 1 1 43 43 ALA CB C 43 18.800 18.800 17.818 0.982 18551 6608 1 20 . 1 1 44 44 GLN N N 44 121.800 121.800 119.352 2.448 18551 6609 1 20 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.961 -1.361 18551 6610 1 20 . 1 1 44 44 GLN C C 44 177.500 177.500 178.081 -0.581 18551 6611 1 20 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.981 0.419 18551 6612 1 20 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.699 -1.099 18551 6613 1 20 . 1 1 45 45 GLU N N 45 120.200 120.200 117.790 2.410 18551 6614 1 20 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.055 -0.285 18551 6615 1 20 . 1 1 45 45 GLU C C 45 179.000 179.000 179.020 -0.020 18551 6616 1 20 . 1 1 45 45 GLU CA C 45 59.900 59.900 58.543 1.357 18551 6617 1 20 . 1 1 45 45 GLU CB C 45 29.400 29.400 28.810 0.590 18551 6618 1 20 . 1 1 46 46 ARG N N 46 119.900 119.900 119.783 0.117 18551 6619 1 20 . 1 1 46 46 ARG HA H 46 3.900 3.900 4.035 -0.135 18551 6620 1 20 . 1 1 46 46 ARG C C 46 177.800 177.800 178.568 -0.768 18551 6621 1 20 . 1 1 46 46 ARG CA C 46 59.600 59.600 58.516 1.084 18551 6622 1 20 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.677 0.423 18551 6623 1 20 . 1 1 47 47 HIS N N 47 118.200 118.200 118.935 -0.735 18551 6624 1 20 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.460 -0.320 18551 6625 1 20 . 1 1 47 47 HIS C C 47 176.300 176.300 177.875 -1.575 18551 6626 1 20 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.540 0.060 18551 6627 1 20 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.493 -2.593 18551 6628 1 20 . 1 1 48 48 LEU N N 48 120.000 120.000 118.277 1.723 18551 6629 1 20 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.162 -0.352 18551 6630 1 20 . 1 1 48 48 LEU C C 48 178.500 178.500 178.464 0.036 18551 6631 1 20 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.943 1.258 18551 6632 1 20 . 1 1 48 48 LEU CB C 48 42.700 42.700 41.843 0.857 18551 6633 1 20 . 1 1 49 49 ARG N N 49 115.400 115.400 117.768 -2.368 18551 6634 1 20 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.173 -0.273 18551 6635 1 20 . 1 1 49 49 ARG C C 49 177.600 177.600 177.622 -0.022 18551 6636 1 20 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.269 0.431 18551 6637 1 20 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.128 0.371 18551 6638 1 20 . 1 1 50 50 LEU N N 50 117.200 117.200 119.226 -2.026 18551 6639 1 20 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.253 -0.053 18551 6640 1 20 . 1 1 50 50 LEU C C 50 179.000 179.000 178.352 0.648 18551 6641 1 20 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.616 0.184 18551 6642 1 20 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.696 0.004 18551 6643 1 20 . 1 1 51 51 LEU N N 51 117.800 117.800 115.944 1.856 18551 6644 1 20 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.177 0.093 18551 6645 1 20 . 1 1 51 51 LEU C C 51 178.100 178.100 177.160 0.940 18551 6646 1 20 . 1 1 51 51 LEU CA C 51 55.000 55.000 55.039 -0.039 18551 6647 1 20 . 1 1 51 51 LEU CB C 51 41.200 41.200 41.775 -0.575 18551 6648 1 20 . 1 1 52 52 HIS N N 52 115.300 115.300 116.473 -1.173 18551 6649 1 20 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.678 0.682 18551 6650 1 20 . 1 1 52 52 HIS C C 52 175.000 175.000 174.974 0.026 18551 6651 1 20 . 1 1 52 52 HIS CA C 52 52.800 52.800 55.220 -2.420 18551 6652 1 20 . 1 1 52 52 HIS CB C 52 28.900 28.900 30.978 -2.078 18551 6653 1 20 . 1 1 53 53 ALA N N 53 122.100 122.100 123.043 -0.943 18551 6654 1 20 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.372 -0.302 18551 6655 1 20 . 1 1 53 53 ALA C C 53 178.300 178.300 178.352 -0.052 18551 6656 1 20 . 1 1 53 53 ALA CA C 53 54.600 54.600 54.219 0.381 18551 6657 1 20 . 1 1 53 53 ALA CB C 53 18.600 18.600 18.936 -0.336 18551 6658 1 20 . 1 1 54 54 ALA N N 54 118.200 118.200 118.346 -0.146 18551 6659 1 20 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.044 0.246 18551 6660 1 20 . 1 1 54 54 ALA C C 54 177.700 177.700 178.115 -0.415 18551 6661 1 20 . 1 1 54 54 ALA CA C 54 52.800 52.800 53.395 -0.595 18551 6662 1 20 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.196 0.804 18551 6663 1 20 . 1 1 55 55 GLN N N 55 118.200 118.200 114.547 3.653 18551 6664 1 20 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.577 -0.197 18551 6665 1 20 . 1 1 55 55 GLN C C 55 173.700 173.700 175.092 -1.392 18551 6666 1 20 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.513 -0.013 18551 6667 1 20 . 1 1 55 55 GLN CB C 55 30.300 30.300 30.529 -0.229 18551 6668 1 20 . 1 1 56 56 VAL N N 56 115.300 115.300 114.742 0.558 18551 6669 1 20 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.788 -0.378 18551 6670 1 20 . 1 1 56 56 VAL C C 56 174.500 174.500 174.331 0.169 18551 6671 1 20 . 1 1 56 56 VAL CA C 56 60.900 60.900 59.824 1.076 18551 6672 1 20 . 1 1 56 56 VAL CB C 56 33.900 33.900 33.218 0.682 18551 6673 1 20 . 1 1 57 57 PHE N N 57 122.700 122.700 121.509 1.191 18551 6674 1 20 . 1 1 57 57 PHE HA H 57 4.830 4.830 5.010 -0.180 18551 6675 1 20 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.269 -0.069 18551 6676 1 20 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.736 -0.736 18551 6677 1 20 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.651 0.069 18551 6678 1 20 . 1 1 58 58 PRO C C 58 175.700 175.700 176.126 -0.426 18551 6679 1 20 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.398 -0.298 18551 6680 1 20 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.158 1.142 18551 6681 1 20 . 1 1 59 59 CYS N N 59 125.200 125.200 127.029 -1.829 18551 6682 1 20 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.439 -0.019 18551 6683 1 20 . 1 1 59 59 CYS C C 59 176.300 176.300 176.353 -0.053 18551 6684 1 20 . 1 1 59 59 CYS CA C 59 60.800 60.800 58.973 1.827 18551 6685 1 20 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.763 1.737 18551 6686 1 20 . 1 1 60 60 LYS N N 60 126.400 126.400 129.139 -2.739 18551 6687 1 20 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.941 0.219 18551 6688 1 20 . 1 1 60 60 LYS C C 60 176.800 176.800 177.134 -0.334 18551 6689 1 20 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.747 -1.647 18551 6690 1 20 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.870 0.530 18551 6691 1 20 . 1 1 61 61 TYR N N 61 121.900 121.900 115.044 6.856 18551 6692 1 20 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.548 -0.038 18551 6693 1 20 . 1 1 61 61 TYR C C 61 174.300 174.300 176.559 -2.259 18551 6694 1 20 . 1 1 61 61 TYR CA C 61 57.700 57.700 57.703 -0.003 18551 6695 1 20 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.599 -0.599 18551 6696 1 20 . 1 1 62 62 CYS N N 62 122.800 122.800 117.241 5.559 18551 6697 1 20 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.949 0.121 18551 6698 1 20 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.725 2.475 18551 6699 1 20 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.083 0.517 18551 6700 1 20 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.324 0.246 18551 6701 1 20 . 1 1 63 63 PRO C C 63 176.500 176.500 175.409 1.091 18551 6702 1 20 . 1 1 63 63 PRO CA C 63 64.100 64.100 62.944 1.156 18551 6703 1 20 . 1 1 63 63 PRO CB C 63 31.900 31.900 29.466 2.433 18551 6704 1 20 . 1 1 64 64 ALA N N 64 125.400 125.400 124.369 1.031 18551 6705 1 20 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.342 -0.312 18551 6706 1 20 . 1 1 64 64 ALA C C 64 176.100 176.100 175.136 0.964 18551 6707 1 20 . 1 1 64 64 ALA CA C 64 53.900 53.900 50.526 3.374 18551 6708 1 20 . 1 1 64 64 ALA CB C 64 20.200 20.200 19.249 0.951 18551 6709 1 20 . 1 1 65 65 THR N N 65 113.200 113.200 120.190 -6.990 18551 6710 1 20 . 1 1 65 65 THR HA H 65 4.440 4.440 4.251 0.189 18551 6711 1 20 . 1 1 65 65 THR C C 65 171.400 171.400 173.478 -2.078 18551 6712 1 20 . 1 1 65 65 THR CA C 65 61.400 61.400 62.213 -0.813 18551 6713 1 20 . 1 1 65 65 THR CB C 65 71.600 71.600 68.757 2.843 18551 6714 1 20 . 1 1 66 66 PHE N N 66 120.900 120.900 125.961 -5.061 18551 6715 1 20 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.436 -0.016 18551 6716 1 20 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.758 0.442 18551 6717 1 20 . 1 1 66 66 PHE CB C 66 42.700 42.700 40.525 2.175 18551 6718 1 20 . 1 1 67 67 TYR HA H 67 5.280 5.280 5.139 0.141 18551 6719 1 20 . 1 1 67 67 TYR C C 67 174.800 174.800 175.808 -1.008 18551 6720 1 20 . 1 1 67 67 TYR CA C 67 57.800 57.800 57.796 0.004 18551 6721 1 20 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.771 -1.271 18551 6722 1 20 . 1 1 68 68 SER N N 68 112.800 112.800 114.162 -1.362 18551 6723 1 20 . 1 1 68 68 SER HA H 68 4.440 4.440 4.831 -0.391 18551 6724 1 20 . 1 1 68 68 SER C C 68 172.200 172.200 174.913 -2.713 18551 6725 1 20 . 1 1 68 68 SER CA C 68 57.000 57.000 56.962 0.038 18551 6726 1 20 . 1 1 68 68 SER CB C 68 66.400 66.400 66.556 -0.156 18551 6727 1 20 . 1 1 69 69 SER N N 69 117.800 117.800 121.260 -3.460 18551 6728 1 20 . 1 1 69 69 SER HA H 69 3.630 3.630 3.790 -0.160 18551 6729 1 20 . 1 1 69 69 SER CA C 69 61.900 61.900 61.516 0.384 18551 6730 1 20 . 1 1 69 69 SER CB C 69 60.900 60.900 60.944 -0.044 18551 6731 1 20 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.116 0.144 18551 6732 1 20 . 1 1 70 70 PRO C C 70 179.000 179.000 178.919 0.081 18551 6733 1 20 . 1 1 70 70 PRO CA C 70 65.700 65.700 66.108 -0.408 18551 6734 1 20 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.004 -0.004 18551 6735 1 20 . 1 1 71 71 GLY N N 71 105.000 105.000 104.796 0.204 18551 6736 1 20 . 1 1 71 71 GLY C C 71 175.700 175.700 175.578 0.122 18551 6737 1 20 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.117 0.583 18551 6738 1 20 . 1 1 72 72 LEU N N 72 123.600 123.600 122.308 1.292 18551 6739 1 20 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.765 -0.275 18551 6740 1 20 . 1 1 72 72 LEU C C 72 177.900 177.900 178.574 -0.674 18551 6741 1 20 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.555 0.245 18551 6742 1 20 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.618 -1.318 18551 6743 1 20 . 1 1 73 73 THR N N 73 117.100 117.100 113.168 3.932 18551 6744 1 20 . 1 1 73 73 THR HA H 73 3.710 3.710 3.987 -0.277 18551 6745 1 20 . 1 1 73 73 THR C C 73 176.100 176.100 176.546 -0.446 18551 6746 1 20 . 1 1 73 73 THR CA C 73 67.300 67.300 65.889 1.411 18551 6747 1 20 . 1 1 73 73 THR CB C 73 68.700 68.700 68.731 -0.032 18551 6748 1 20 . 1 1 74 74 ARG N N 74 120.200 120.200 120.156 0.044 18551 6749 1 20 . 1 1 74 74 ARG HA H 74 3.980 3.980 4.016 -0.036 18551 6750 1 20 . 1 1 74 74 ARG C C 74 178.500 178.500 178.745 -0.245 18551 6751 1 20 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.317 0.283 18551 6752 1 20 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.951 0.149 18551 6753 1 20 . 1 1 75 75 HIS N N 75 118.700 118.700 120.772 -2.072 18551 6754 1 20 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.438 -0.168 18551 6755 1 20 . 1 1 75 75 HIS C C 75 176.900 176.900 177.395 -0.495 18551 6756 1 20 . 1 1 75 75 HIS CA C 75 59.600 59.600 60.177 -0.577 18551 6757 1 20 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.704 -1.804 18551 6758 1 20 . 1 1 76 76 ILE N N 76 121.600 121.600 118.091 3.509 18551 6759 1 20 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.650 -0.230 18551 6760 1 20 . 1 1 76 76 ILE C C 76 177.800 177.800 177.953 -0.153 18551 6761 1 20 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.508 0.792 18551 6762 1 20 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.707 0.293 18551 6763 1 20 . 1 1 77 77 ASN N N 77 115.900 115.900 116.392 -0.492 18551 6764 1 20 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.623 -0.353 18551 6765 1 20 . 1 1 77 77 ASN C C 77 176.400 176.400 177.434 -1.034 18551 6766 1 20 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.515 0.285 18551 6767 1 20 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.437 -0.036 18551 6768 1 20 . 1 1 78 78 LYS N N 78 116.200 116.200 120.251 -4.051 18551 6769 1 20 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.260 -0.090 18551 6770 1 20 . 1 1 78 78 LYS C C 78 178.400 178.400 177.715 0.685 18551 6771 1 20 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.357 -0.257 18551 6772 1 20 . 1 1 78 78 LYS CB C 78 34.000 34.000 32.679 1.321 18551 6773 1 20 . 1 1 79 79 CYS N N 79 113.900 113.900 119.331 -5.431 18551 6774 1 20 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.388 -0.298 18551 6775 1 20 . 1 1 79 79 CYS C C 79 174.200 174.200 174.572 -0.372 18551 6776 1 20 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.726 1.974 18551 6777 1 20 . 1 1 79 79 CYS CB C 79 28.000 28.000 27.829 0.171 18551 6778 1 20 . 1 1 80 80 HIS N N 80 117.000 117.000 118.103 -1.103 18551 6779 1 20 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.832 0.448 18551 6780 1 20 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.212 -1.512 18551 6781 1 20 . 1 1 80 80 HIS CB C 80 28.700 28.700 30.855 -2.155 18551 6782 1 20 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.730 -0.410 18551 6783 1 20 . 1 1 81 81 PRO C C 81 178.100 178.100 177.387 0.713 18551 6784 1 20 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.089 1.611 18551 6785 1 20 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.320 -0.820 18551 6786 1 20 . 1 1 82 82 SER N N 82 114.100 114.100 113.179 0.921 18551 6787 1 20 . 1 1 82 82 SER HA H 82 4.340 4.340 4.121 0.219 18551 6788 1 20 . 1 1 82 82 SER C C 82 174.900 174.900 175.346 -0.446 18551 6789 1 20 . 1 1 82 82 SER CA C 82 59.000 59.000 59.789 -0.789 18551 6790 1 20 . 1 1 82 82 SER CB C 82 63.300 63.300 62.652 0.648 18551 6791 1 20 . 1 1 83 83 GLU N N 83 120.600 120.600 120.138 0.462 18551 6792 1 20 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.086 0.144 18551 6793 1 20 . 1 1 83 83 GLU C C 83 176.300 176.300 176.832 -0.532 18551 6794 1 20 . 1 1 83 83 GLU CA C 83 56.100 56.100 58.160 -2.060 18551 6795 1 20 . 1 1 83 83 GLU CB C 83 29.400 29.400 30.142 -0.742 18551 6796 1 20 . 1 1 84 84 ASN N N 84 119.100 119.100 119.314 -0.214 18551 6797 1 20 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.721 -0.011 18551 6798 1 20 . 1 1 84 84 ASN C C 84 174.100 174.100 175.409 -1.309 18551 6799 1 20 . 1 1 84 84 ASN CA C 84 53.200 53.200 52.919 0.281 18551 6800 1 20 . 1 1 84 84 ASN CB C 84 39.000 39.000 38.148 0.852 18551 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 66 3.009 0.062 3.031 18551 2 1 1 "Average Difference" HA 74 0.326 0.046 0.325 18551 3 1 1 "Average Difference" C 68 14.758 1.692 14.770 18551 4 1 1 "Average Difference" CA 74 1.186 -0.230 1.171 18551 5 1 1 "Average Difference" CB 66 1.360 -0.260 1.345 18551 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18551 7 1 2 "Average Difference" N 66 2.958 0.303 2.965 18551 8 1 2 "Average Difference" HA 74 0.326 0.092 0.315 18551 9 1 2 "Average Difference" C 68 14.734 1.673 14.748 18551 10 1 2 "Average Difference" CA 74 1.030 -0.263 1.003 18551 11 1 2 "Average Difference" CB 66 1.198 -0.180 1.193 18551 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18551 13 1 3 "Average Difference" N 66 2.867 -0.079 2.888 18551 14 1 3 "Average Difference" HA 74 0.317 0.055 0.314 18551 15 1 3 "Average Difference" C 68 14.757 1.772 14.759 18551 16 1 3 "Average Difference" CA 74 1.191 -0.136 1.191 18551 17 1 3 "Average Difference" CB 66 1.294 -0.213 1.286 18551 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18551 19 1 4 "Average Difference" N 66 3.312 0.031 3.337 18551 20 1 4 "Average Difference" HA 74 0.300 0.045 0.299 18551 21 1 4 "Average Difference" C 68 14.794 1.630 14.813 18551 22 1 4 "Average Difference" CA 74 1.176 -0.278 1.151 18551 23 1 4 "Average Difference" CB 66 1.343 -0.276 1.325 18551 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18551 25 1 5 "Average Difference" N 66 3.009 0.230 3.023 18551 26 1 5 "Average Difference" HA 74 0.294 0.038 0.293 18551 27 1 5 "Average Difference" C 68 14.781 1.756 14.786 18551 28 1 5 "Average Difference" CA 74 1.120 -0.199 1.110 18551 29 1 5 "Average Difference" CB 66 1.368 -0.171 1.368 18551 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18551 31 1 6 "Average Difference" N 66 2.962 0.195 2.978 18551 32 1 6 "Average Difference" HA 74 0.308 0.050 0.307 18551 33 1 6 "Average Difference" C 68 14.762 1.748 14.767 18551 34 1 6 "Average Difference" CA 74 1.130 -0.269 1.105 18551 35 1 6 "Average Difference" CB 66 1.319 -0.173 1.317 18551 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18551 37 1 7 "Average Difference" N 66 3.357 0.255 3.373 18551 38 1 7 "Average Difference" HA 74 0.308 0.030 0.309 18551 39 1 7 "Average Difference" C 68 14.757 1.792 14.757 18551 40 1 7 "Average Difference" CA 74 1.185 -0.256 1.165 18551 41 1 7 "Average Difference" CB 66 1.308 -0.199 1.302 18551 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18551 43 1 8 "Average Difference" N 66 2.866 0.046 2.887 18551 44 1 8 "Average Difference" HA 74 0.276 0.025 0.277 18551 45 1 8 "Average Difference" C 68 14.708 1.746 14.713 18551 46 1 8 "Average Difference" CA 74 1.173 -0.286 1.146 18551 47 1 8 "Average Difference" CB 66 1.091 -0.201 1.081 18551 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18551 49 1 9 "Average Difference" N 66 2.478 0.072 2.496 18551 50 1 9 "Average Difference" HA 74 0.328 0.073 0.322 18551 51 1 9 "Average Difference" C 68 14.770 1.685 14.783 18551 52 1 9 "Average Difference" CA 74 1.150 -0.414 1.080 18551 53 1 9 "Average Difference" CB 66 1.205 -0.164 1.203 18551 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18551 55 1 10 "Average Difference" N 66 2.859 0.263 2.868 18551 56 1 10 "Average Difference" HA 74 0.277 0.040 0.276 18551 57 1 10 "Average Difference" C 68 14.784 1.724 14.792 18551 58 1 10 "Average Difference" CA 74 1.124 -0.245 1.104 18551 59 1 10 "Average Difference" CB 66 1.279 -0.132 1.282 18551 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18551 61 1 11 "Average Difference" N 66 2.984 0.563 2.953 18551 62 1 11 "Average Difference" HA 74 0.359 0.083 0.352 18551 63 1 11 "Average Difference" C 68 14.761 1.686 14.774 18551 64 1 11 "Average Difference" CA 74 1.181 -0.289 1.152 18551 65 1 11 "Average Difference" CB 66 1.330 -0.209 1.323 18551 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 18551 67 1 12 "Average Difference" N 66 3.061 0.655 3.013 18551 68 1 12 "Average Difference" HA 74 0.335 0.055 0.332 18551 69 1 12 "Average Difference" C 68 14.711 1.663 14.726 18551 70 1 12 "Average Difference" CA 74 1.054 -0.280 1.023 18551 71 1 12 "Average Difference" CB 66 1.255 -0.223 1.244 18551 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 18551 73 1 13 "Average Difference" N 66 2.929 0.203 2.944 18551 74 1 13 "Average Difference" HA 74 0.301 0.039 0.301 18551 75 1 13 "Average Difference" C 68 14.709 1.734 14.715 18551 76 1 13 "Average Difference" CA 74 1.183 -0.130 1.184 18551 77 1 13 "Average Difference" CB 66 1.496 -0.241 1.488 18551 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 18551 79 1 14 "Average Difference" N 66 2.736 0.073 2.756 18551 80 1 14 "Average Difference" HA 74 0.295 0.031 0.295 18551 81 1 14 "Average Difference" C 68 14.786 1.859 14.778 18551 82 1 14 "Average Difference" CA 74 1.096 -0.211 1.083 18551 83 1 14 "Average Difference" CB 66 1.242 -0.268 1.222 18551 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 18551 85 1 15 "Average Difference" N 66 2.912 0.311 2.917 18551 86 1 15 "Average Difference" HA 74 0.344 0.066 0.340 18551 87 1 15 "Average Difference" C 68 14.708 1.699 14.719 18551 88 1 15 "Average Difference" CA 74 1.089 -0.242 1.069 18551 89 1 15 "Average Difference" CB 66 1.362 -0.182 1.360 18551 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 18551 91 1 16 "Average Difference" N 66 2.735 0.062 2.755 18551 92 1 16 "Average Difference" HA 74 0.293 0.068 0.287 18551 93 1 16 "Average Difference" C 68 14.770 1.672 14.784 18551 94 1 16 "Average Difference" CA 74 1.060 -0.332 1.014 18551 95 1 16 "Average Difference" CB 66 1.330 -0.149 1.332 18551 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 18551 97 1 17 "Average Difference" N 66 2.929 -0.182 2.946 18551 98 1 17 "Average Difference" HA 74 0.339 0.040 0.339 18551 99 1 17 "Average Difference" C 68 14.740 1.762 14.743 18551 100 1 17 "Average Difference" CA 74 1.201 -0.189 1.194 18551 101 1 17 "Average Difference" CB 66 1.165 -0.239 1.149 18551 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 18551 103 1 18 "Average Difference" N 66 3.025 0.242 3.038 18551 104 1 18 "Average Difference" HA 74 0.308 0.033 0.308 18551 105 1 18 "Average Difference" C 68 14.704 1.766 14.706 18551 106 1 18 "Average Difference" CA 74 1.054 -0.187 1.044 18551 107 1 18 "Average Difference" CB 66 1.266 -0.212 1.258 18551 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 18551 109 1 19 "Average Difference" N 66 2.776 -0.148 2.794 18551 110 1 19 "Average Difference" HA 74 0.383 0.107 0.370 18551 111 1 19 "Average Difference" C 68 14.813 1.662 14.829 18551 112 1 19 "Average Difference" CA 74 1.070 -0.239 1.050 18551 113 1 19 "Average Difference" CB 66 1.267 0.002 1.277 18551 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 18551 115 1 20 "Average Difference" N 66 3.134 -0.022 3.157 18551 116 1 20 "Average Difference" HA 74 0.314 0.016 0.316 18551 117 1 20 "Average Difference" C 68 14.709 1.888 14.696 18551 118 1 20 "Average Difference" CA 74 1.179 -0.182 1.173 18551 119 1 20 "Average Difference" CB 66 1.342 -0.380 1.297 18551 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 18551 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 18551 _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 11 11 MET HA H 11 4.440 4.440 4.552 -0.112 18551 2 1 . 1 1 11 11 MET C C 11 176.600 176.600 175.575 1.025 18551 3 1 . 1 1 11 11 MET CA C 11 55.600 55.600 55.355 0.245 18551 4 1 . 1 1 11 11 MET CB C 11 32.700 32.700 33.549 -0.849 18551 5 1 . 1 1 12 12 GLY N N 12 110.000 110.000 111.010 -1.010 18551 6 1 . 1 1 12 12 GLY C C 12 173.900 173.900 173.282 0.618 18551 7 1 . 1 1 12 12 GLY CA C 12 45.300 45.300 44.951 0.349 18551 8 1 . 1 1 13 13 ASP N N 13 120.500 120.500 120.500 0.000 18551 9 1 . 1 1 13 13 ASP HA H 13 4.640 4.640 4.668 -0.028 18551 10 1 . 1 1 13 13 ASP C C 13 176.900 176.900 176.205 0.695 18551 11 1 . 1 1 13 13 ASP CA C 13 54.500 54.500 54.241 0.259 18551 12 1 . 1 1 13 13 ASP CB C 13 41.400 41.400 41.822 -0.422 18551 13 1 . 1 1 14 14 GLY N N 14 109.300 109.300 110.075 -0.775 18551 14 1 . 1 1 14 14 GLY C C 14 174.500 174.500 173.762 0.738 18551 15 1 . 1 1 14 14 GLY CA C 14 45.500 45.500 44.995 0.505 18551 16 1 . 1 1 15 15 GLU N N 15 120.600 120.600 121.134 -0.534 18551 17 1 . 1 1 15 15 GLU HA H 15 4.280 4.280 4.440 -0.160 18551 18 1 . 1 1 15 15 GLU C C 15 177.200 177.200 176.577 0.623 18551 19 1 . 1 1 15 15 GLU CA C 15 56.800 56.800 56.159 0.641 18551 20 1 . 1 1 15 15 GLU CB C 15 30.100 30.100 30.450 -0.350 18551 21 1 . 1 1 16 16 GLY N N 16 109.900 109.900 109.878 0.022 18551 22 1 . 1 1 16 16 GLY C C 16 174.100 174.100 173.448 0.652 18551 23 1 . 1 1 16 16 GLY CA C 16 45.500 45.500 45.015 0.485 18551 24 1 . 1 1 17 17 ALA N N 17 123.500 123.500 124.115 -0.615 18551 25 1 . 1 1 17 17 ALA HA H 17 4.300 4.300 4.662 -0.362 18551 26 1 . 1 1 17 17 ALA C C 17 178.300 178.300 177.361 0.939 18551 27 1 . 1 1 17 17 ALA CA C 17 52.800 52.800 52.060 0.740 18551 28 1 . 1 1 17 17 ALA CB C 17 19.300 19.300 19.794 -0.494 18551 29 1 . 1 1 18 18 GLY N N 18 108.000 108.000 109.804 -1.804 18551 30 1 . 1 1 18 18 GLY C C 18 174.400 174.400 173.921 0.479 18551 31 1 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.931 0.469 18551 32 1 . 1 1 19 19 VAL N N 19 119.100 119.100 119.624 -0.524 18551 33 1 . 1 1 19 19 VAL HA H 19 4.090 4.090 4.513 -0.423 18551 34 1 . 1 1 19 19 VAL C C 19 176.400 176.400 175.421 0.979 18551 35 1 . 1 1 19 19 VAL CA C 19 62.500 62.500 61.390 1.110 18551 36 1 . 1 1 19 19 VAL CB C 19 32.500 32.500 33.035 -0.535 18551 37 1 . 1 1 20 20 LEU N N 20 125.100 125.100 120.824 4.276 18551 38 1 . 1 1 20 20 LEU HA H 20 4.330 4.330 4.793 -0.463 18551 39 1 . 1 1 20 20 LEU C C 20 177.900 177.900 176.540 1.360 18551 40 1 . 1 1 20 20 LEU CA C 20 55.400 55.400 54.665 0.735 18551 41 1 . 1 1 20 20 LEU CB C 20 42.200 42.200 42.967 -0.767 18551 42 1 . 1 1 21 21 GLY N N 21 109.300 109.300 109.245 0.055 18551 43 1 . 1 1 21 21 GLY C C 21 174.200 174.200 173.852 0.348 18551 44 1 . 1 1 21 21 GLY CA C 21 45.400 45.400 44.922 0.478 18551 45 1 . 1 1 22 22 LEU N N 22 121.600 121.600 122.058 -0.458 18551 46 1 . 1 1 22 22 LEU HA H 22 4.370 4.370 4.479 -0.109 18551 47 1 . 1 1 22 22 LEU C C 22 177.600 177.600 177.162 0.438 18551 48 1 . 1 1 22 22 LEU CA C 22 55.200 55.200 55.059 0.141 18551 49 1 . 1 1 22 22 LEU CB C 22 42.500 42.500 42.500 -0.000 18551 50 1 . 1 1 23 23 SER N N 23 116.500 116.500 117.777 -1.277 18551 51 1 . 1 1 23 23 SER HA H 23 4.440 4.440 4.429 0.011 18551 52 1 . 1 1 23 23 SER C C 23 174.300 174.300 174.250 0.050 18551 53 1 . 1 1 23 23 SER CA C 23 58.300 58.300 58.494 -0.194 18551 54 1 . 1 1 23 23 SER CB C 23 63.800 63.800 63.376 0.424 18551 55 1 . 1 1 24 24 ALA N N 24 126.000 126.000 126.341 -0.341 18551 56 1 . 1 1 24 24 ALA HA H 24 4.350 4.350 4.265 0.085 18551 57 1 . 1 1 24 24 ALA C C 24 177.700 177.700 177.072 0.628 18551 58 1 . 1 1 24 24 ALA CA C 24 52.700 52.700 52.746 -0.046 18551 59 1 . 1 1 24 24 ALA CB C 24 19.400 19.400 18.827 0.572 18551 60 1 . 1 1 25 25 SER N N 25 114.700 114.700 115.340 -0.640 18551 61 1 . 1 1 25 25 SER HA H 25 4.430 4.430 4.421 0.009 18551 62 1 . 1 1 25 25 SER C C 25 174.200 174.200 173.994 0.206 18551 63 1 . 1 1 25 25 SER CA C 25 58.200 58.200 58.222 -0.022 18551 64 1 . 1 1 25 25 SER CB C 25 63.900 63.900 63.429 0.471 18551 65 1 . 1 1 26 26 ALA N N 26 125.900 125.900 125.221 0.679 18551 66 1 . 1 1 26 26 ALA HA H 26 4.340 4.340 4.363 -0.023 18551 67 1 . 1 1 26 26 ALA C C 26 177.400 177.400 176.826 0.574 18551 68 1 . 1 1 26 26 ALA CA C 26 52.500 52.500 52.034 0.466 18551 69 1 . 1 1 26 26 ALA CB C 26 19.400 19.400 19.621 -0.221 18551 70 1 . 1 1 27 27 GLU N N 27 120.100 120.100 120.815 -0.715 18551 71 1 . 1 1 27 27 GLU HA H 27 4.240 4.240 4.307 -0.067 18551 72 1 . 1 1 27 27 GLU C C 27 175.400 175.400 175.742 -0.342 18551 73 1 . 1 1 27 27 GLU CA C 27 56.200 56.200 56.587 -0.387 18551 74 1 . 1 1 27 27 GLU CB C 27 30.700 30.700 29.337 1.363 18551 75 1 . 1 1 28 28 CYS N N 28 119.400 119.400 119.757 -0.357 18551 76 1 . 1 1 28 28 CYS HA H 28 4.590 4.590 4.411 0.179 18551 77 1 . 1 1 28 28 CYS C C 28 173.000 173.000 173.911 -0.911 18551 78 1 . 1 1 28 28 CYS CA C 28 57.900 57.900 58.887 -0.987 18551 79 1 . 1 1 28 28 CYS CB C 28 28.700 28.700 29.862 -1.162 18551 80 1 . 1 1 29 29 HIS N N 29 124.500 124.500 119.849 4.651 18551 81 1 . 1 1 29 29 HIS HA H 29 4.640 4.640 4.726 -0.086 18551 82 1 . 1 1 29 29 HIS C C 29 174.700 174.700 173.960 0.740 18551 83 1 . 1 1 29 29 HIS CA C 29 55.300 55.300 56.110 -0.810 18551 84 1 . 1 1 29 29 HIS CB C 29 32.400 32.400 30.820 1.580 18551 85 1 . 1 1 30 30 LEU N N 30 123.900 123.900 124.246 -0.346 18551 86 1 . 1 1 30 30 LEU HA H 30 5.070 5.070 5.087 -0.016 18551 87 1 . 1 1 30 30 LEU C C 30 178.500 178.500 176.896 1.604 18551 88 1 . 1 1 30 30 LEU CA C 30 53.800 53.800 53.185 0.615 18551 89 1 . 1 1 30 30 LEU CB C 30 43.700 43.700 44.153 -0.453 18551 90 1 . 1 1 31 31 CYS N N 31 126.700 126.700 125.335 1.365 18551 91 1 . 1 1 31 31 CYS HA H 31 4.810 4.810 4.714 0.096 18551 92 1 . 1 1 31 31 CYS C C 31 53.800 53.800 175.170 -121.370 18551 93 1 . 1 1 31 31 CYS CA C 31 57.100 57.100 56.899 0.201 18551 94 1 . 1 1 31 31 CYS CB C 31 30.300 30.300 26.928 3.372 18551 95 1 . 1 1 32 32 PRO HA H 32 4.460 4.460 4.218 0.242 18551 96 1 . 1 1 32 32 PRO C C 32 176.000 176.000 176.452 -0.452 18551 97 1 . 1 1 32 32 PRO CA C 32 64.000 64.000 65.196 -1.196 18551 98 1 . 1 1 32 32 PRO CB C 32 32.200 32.200 31.477 0.723 18551 99 1 . 1 1 33 33 VAL N N 33 122.000 122.000 113.547 8.453 18551 100 1 . 1 1 33 33 VAL HA H 33 3.810 3.810 4.011 -0.201 18551 101 1 . 1 1 33 33 VAL C C 33 176.700 176.700 175.771 0.929 18551 102 1 . 1 1 33 33 VAL CA C 33 64.800 64.800 62.749 2.051 18551 103 1 . 1 1 33 33 VAL CB C 33 32.700 32.700 32.124 0.576 18551 104 1 . 1 1 34 34 CYS N N 34 117.100 117.100 117.490 -0.391 18551 105 1 . 1 1 34 34 CYS HA H 34 5.170 5.170 4.815 0.355 18551 106 1 . 1 1 34 34 CYS C C 34 176.800 176.800 174.862 1.938 18551 107 1 . 1 1 34 34 CYS CA C 34 58.500 58.500 56.795 1.705 18551 108 1 . 1 1 34 34 CYS CB C 34 32.700 32.700 29.668 3.032 18551 109 1 . 1 1 35 35 GLY N N 35 112.500 112.500 110.315 2.185 18551 110 1 . 1 1 35 35 GLY C C 35 173.200 173.200 173.617 -0.417 18551 111 1 . 1 1 35 35 GLY CA C 35 46.400 46.400 46.342 0.058 18551 112 1 . 1 1 36 36 GLU N N 36 122.500 122.500 124.126 -1.626 18551 113 1 . 1 1 36 36 GLU HA H 36 3.990 3.990 4.209 -0.219 18551 114 1 . 1 1 36 36 GLU C C 36 173.800 173.800 174.520 -0.720 18551 115 1 . 1 1 36 36 GLU CA C 36 57.900 57.900 55.278 2.622 18551 116 1 . 1 1 36 36 GLU CB C 36 30.500 30.500 31.755 -1.255 18551 117 1 . 1 1 37 37 SER N N 37 116.300 116.300 120.808 -4.508 18551 118 1 . 1 1 37 37 SER HA H 37 4.820 4.820 4.501 0.319 18551 119 1 . 1 1 37 37 SER C C 37 173.300 173.300 173.535 -0.235 18551 120 1 . 1 1 37 37 SER CA C 37 57.200 57.200 58.463 -1.263 18551 121 1 . 1 1 37 37 SER CB C 37 65.300 65.300 63.415 1.885 18551 122 1 . 1 1 38 38 PHE N N 38 120.000 120.000 123.932 -3.932 18551 123 1 . 1 1 38 38 PHE HA H 38 4.650 4.650 4.767 -0.117 18551 124 1 . 1 1 38 38 PHE CA C 38 57.400 57.400 57.178 0.222 18551 125 1 . 1 1 38 38 PHE CB C 38 44.000 44.000 42.133 1.867 18551 126 1 . 1 1 39 39 ALA HA H 39 4.590 4.590 4.310 0.280 18551 127 1 . 1 1 39 39 ALA C C 39 176.700 176.700 177.613 -0.913 18551 128 1 . 1 1 39 39 ALA CA C 39 52.700 52.700 53.700 -1.000 18551 129 1 . 1 1 39 39 ALA CB C 39 19.400 19.400 19.171 0.229 18551 130 1 . 1 1 40 40 SER N N 40 107.500 107.500 113.704 -6.204 18551 131 1 . 1 1 40 40 SER HA H 40 4.560 4.560 4.557 0.003 18551 132 1 . 1 1 40 40 SER C C 40 173.400 173.400 175.185 -1.785 18551 133 1 . 1 1 40 40 SER CA C 40 56.100 56.100 57.326 -1.226 18551 134 1 . 1 1 40 40 SER CB C 40 66.400 66.400 64.297 2.103 18551 135 1 . 1 1 41 41 LYS N N 41 124.400 124.400 126.535 -2.135 18551 136 1 . 1 1 41 41 LYS HA H 41 3.440 3.440 3.863 -0.423 18551 137 1 . 1 1 41 41 LYS C C 41 178.600 178.600 178.188 0.412 18551 138 1 . 1 1 41 41 LYS CA C 41 58.200 58.200 58.618 -0.418 18551 139 1 . 1 1 41 41 LYS CB C 41 32.100 32.100 32.155 -0.055 18551 140 1 . 1 1 42 42 GLY N N 42 105.900 105.900 106.794 -0.894 18551 141 1 . 1 1 42 42 GLY C C 42 176.700 176.700 175.653 1.047 18551 142 1 . 1 1 42 42 GLY CA C 42 46.900 46.900 46.667 0.233 18551 143 1 . 1 1 43 43 ALA N N 43 123.500 123.500 123.157 0.343 18551 144 1 . 1 1 43 43 ALA HA H 43 4.050 4.050 3.958 0.092 18551 145 1 . 1 1 43 43 ALA C C 43 179.700 179.700 178.773 0.927 18551 146 1 . 1 1 43 43 ALA CA C 43 54.700 54.700 54.097 0.603 18551 147 1 . 1 1 43 43 ALA CB C 43 18.800 18.800 18.047 0.752 18551 148 1 . 1 1 44 44 GLN N N 44 121.800 121.800 118.547 3.253 18551 149 1 . 1 1 44 44 GLN HA H 44 2.600 2.600 3.643 -1.043 18551 150 1 . 1 1 44 44 GLN C C 44 177.500 177.500 177.981 -0.481 18551 151 1 . 1 1 44 44 GLN CA C 44 59.400 59.400 58.545 0.855 18551 152 1 . 1 1 44 44 GLN CB C 44 27.600 27.600 28.607 -1.007 18551 153 1 . 1 1 45 45 GLU N N 45 120.200 120.200 118.749 1.451 18551 154 1 . 1 1 45 45 GLU HA H 45 3.770 3.770 4.016 -0.246 18551 155 1 . 1 1 45 45 GLU C C 45 179.000 179.000 178.791 0.209 18551 156 1 . 1 1 45 45 GLU CA C 45 59.900 59.900 58.820 1.080 18551 157 1 . 1 1 45 45 GLU CB C 45 29.400 29.400 29.221 0.179 18551 158 1 . 1 1 46 46 ARG N N 46 119.900 119.900 118.389 1.511 18551 159 1 . 1 1 46 46 ARG HA H 46 3.900 3.900 3.993 -0.093 18551 160 1 . 1 1 46 46 ARG C C 46 177.800 177.800 178.298 -0.498 18551 161 1 . 1 1 46 46 ARG CA C 46 59.600 59.600 59.109 0.491 18551 162 1 . 1 1 46 46 ARG CB C 46 30.100 30.100 29.533 0.567 18551 163 1 . 1 1 47 47 HIS N N 47 118.200 118.200 119.358 -1.158 18551 164 1 . 1 1 47 47 HIS HA H 47 4.140 4.140 4.403 -0.263 18551 165 1 . 1 1 47 47 HIS C C 47 176.300 176.300 177.226 -0.926 18551 166 1 . 1 1 47 47 HIS CA C 47 59.600 59.600 59.611 -0.011 18551 167 1 . 1 1 47 47 HIS CB C 47 27.900 27.900 30.386 -2.486 18551 168 1 . 1 1 48 48 LEU N N 48 120.000 120.000 118.748 1.252 18551 169 1 . 1 1 48 48 LEU HA H 48 3.810 3.810 4.245 -0.435 18551 170 1 . 1 1 48 48 LEU C C 48 178.500 178.500 178.692 -0.192 18551 171 1 . 1 1 48 48 LEU CA C 48 59.200 59.200 57.723 1.477 18551 172 1 . 1 1 48 48 LEU CB C 48 42.700 42.700 42.026 0.674 18551 173 1 . 1 1 49 49 ARG N N 49 115.400 115.400 117.439 -2.039 18551 174 1 . 1 1 49 49 ARG HA H 49 3.900 3.900 4.101 -0.201 18551 175 1 . 1 1 49 49 ARG C C 49 177.600 177.600 177.658 -0.058 18551 176 1 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.412 0.288 18551 177 1 . 1 1 49 49 ARG CB C 49 30.500 30.500 30.197 0.303 18551 178 1 . 1 1 50 50 LEU N N 50 117.200 117.200 117.947 -0.747 18551 179 1 . 1 1 50 50 LEU HA H 50 4.200 4.200 4.241 -0.041 18551 180 1 . 1 1 50 50 LEU C C 50 179.000 179.000 178.461 0.539 18551 181 1 . 1 1 50 50 LEU CA C 50 56.800 56.800 56.462 0.338 18551 182 1 . 1 1 50 50 LEU CB C 50 42.700 42.700 42.537 0.163 18551 183 1 . 1 1 51 51 LEU N N 51 117.800 117.800 116.468 1.332 18551 184 1 . 1 1 51 51 LEU HA H 51 4.270 4.270 4.146 0.124 18551 185 1 . 1 1 51 51 LEU C C 51 178.100 178.100 178.027 0.073 18551 186 1 . 1 1 51 51 LEU CA C 51 55.000 55.000 56.038 -1.038 18551 187 1 . 1 1 51 51 LEU CB C 51 41.200 41.200 42.331 -1.131 18551 188 1 . 1 1 52 52 HIS N N 52 115.300 115.300 116.698 -1.398 18551 189 1 . 1 1 52 52 HIS HA H 52 5.360 5.360 4.668 0.692 18551 190 1 . 1 1 52 52 HIS C C 52 175.000 175.000 174.570 0.430 18551 191 1 . 1 1 52 52 HIS CA C 52 52.800 52.800 54.985 -2.185 18551 192 1 . 1 1 52 52 HIS CB C 52 28.900 28.900 29.724 -0.824 18551 193 1 . 1 1 53 53 ALA N N 53 122.100 122.100 122.479 -0.379 18551 194 1 . 1 1 53 53 ALA HA H 53 4.070 4.070 4.359 -0.289 18551 195 1 . 1 1 53 53 ALA C C 53 178.300 178.300 177.331 0.969 18551 196 1 . 1 1 53 53 ALA CA C 53 54.600 54.600 53.019 1.581 18551 197 1 . 1 1 53 53 ALA CB C 53 18.600 18.600 18.661 -0.061 18551 198 1 . 1 1 54 54 ALA N N 54 118.200 118.200 120.229 -2.029 18551 199 1 . 1 1 54 54 ALA HA H 54 4.290 4.290 4.037 0.253 18551 200 1 . 1 1 54 54 ALA C C 54 177.700 177.700 178.616 -0.916 18551 201 1 . 1 1 54 54 ALA CA C 54 52.800 52.800 53.880 -1.080 18551 202 1 . 1 1 54 54 ALA CB C 54 19.000 19.000 18.688 0.312 18551 203 1 . 1 1 55 55 GLN N N 55 118.200 118.200 115.171 3.029 18551 204 1 . 1 1 55 55 GLN HA H 55 4.380 4.380 4.291 0.089 18551 205 1 . 1 1 55 55 GLN C C 55 173.700 173.700 175.595 -1.895 18551 206 1 . 1 1 55 55 GLN CA C 55 55.500 55.500 55.557 -0.057 18551 207 1 . 1 1 55 55 GLN CB C 55 30.300 30.300 29.951 0.349 18551 208 1 . 1 1 56 56 VAL N N 56 115.300 115.300 114.184 1.116 18551 209 1 . 1 1 56 56 VAL HA H 56 4.410 4.410 4.341 0.069 18551 210 1 . 1 1 56 56 VAL C C 56 174.500 174.500 174.335 0.165 18551 211 1 . 1 1 56 56 VAL CA C 56 60.900 60.900 60.295 0.605 18551 212 1 . 1 1 56 56 VAL CB C 56 33.900 33.900 33.129 0.771 18551 213 1 . 1 1 57 57 PHE N N 57 122.700 122.700 121.186 1.514 18551 214 1 . 1 1 57 57 PHE HA H 57 4.830 4.830 5.012 -0.182 18551 215 1 . 1 1 57 57 PHE CA C 57 55.200 55.200 55.141 0.059 18551 216 1 . 1 1 57 57 PHE CB C 57 40.000 40.000 40.224 -0.224 18551 217 1 . 1 1 58 58 PRO HA H 58 4.720 4.720 4.736 -0.016 18551 218 1 . 1 1 58 58 PRO C C 58 175.700 175.700 176.345 -0.645 18551 219 1 . 1 1 58 58 PRO CA C 58 62.100 62.100 62.296 -0.196 18551 220 1 . 1 1 58 58 PRO CB C 58 32.300 32.300 31.478 0.822 18551 221 1 . 1 1 59 59 CYS N N 59 125.200 125.200 126.212 -1.012 18551 222 1 . 1 1 59 59 CYS HA H 59 4.420 4.420 4.455 -0.036 18551 223 1 . 1 1 59 59 CYS C C 59 176.300 176.300 176.414 -0.114 18551 224 1 . 1 1 59 59 CYS CA C 59 60.800 60.800 59.121 1.679 18551 225 1 . 1 1 59 59 CYS CB C 59 29.500 29.500 27.582 1.918 18551 226 1 . 1 1 60 60 LYS N N 60 126.400 126.400 128.664 -2.264 18551 227 1 . 1 1 60 60 LYS HA H 60 4.160 4.160 3.933 0.227 18551 228 1 . 1 1 60 60 LYS C C 60 176.800 176.800 176.495 0.305 18551 229 1 . 1 1 60 60 LYS CA C 60 57.100 57.100 58.821 -1.721 18551 230 1 . 1 1 60 60 LYS CB C 60 32.400 32.400 31.755 0.645 18551 231 1 . 1 1 61 61 TYR N N 61 121.900 121.900 116.026 5.874 18551 232 1 . 1 1 61 61 TYR HA H 61 4.510 4.510 4.463 0.047 18551 233 1 . 1 1 61 61 TYR C C 61 174.300 174.300 176.226 -1.926 18551 234 1 . 1 1 61 61 TYR CA C 61 57.700 57.700 58.055 -0.355 18551 235 1 . 1 1 61 61 TYR CB C 61 38.000 38.000 38.611 -0.611 18551 236 1 . 1 1 62 62 CYS N N 62 122.800 122.800 116.730 6.070 18551 237 1 . 1 1 62 62 CYS HA H 62 5.070 5.070 4.982 0.088 18551 238 1 . 1 1 62 62 CYS CA C 62 58.200 58.200 55.315 2.885 18551 239 1 . 1 1 62 62 CYS CB C 62 29.600 29.600 29.396 0.203 18551 240 1 . 1 1 63 63 PRO HA H 63 4.570 4.570 4.285 0.285 18551 241 1 . 1 1 63 63 PRO C C 63 176.500 176.500 176.013 0.487 18551 242 1 . 1 1 63 63 PRO CA C 63 64.100 64.100 63.380 0.720 18551 243 1 . 1 1 63 63 PRO CB C 63 31.900 31.900 30.558 1.342 18551 244 1 . 1 1 64 64 ALA N N 64 125.400 125.400 126.074 -0.674 18551 245 1 . 1 1 64 64 ALA HA H 64 4.030 4.030 4.275 -0.245 18551 246 1 . 1 1 64 64 ALA C C 64 176.100 176.100 175.623 0.477 18551 247 1 . 1 1 64 64 ALA CA C 64 53.900 53.900 51.793 2.107 18551 248 1 . 1 1 64 64 ALA CB C 64 20.200 20.200 19.721 0.479 18551 249 1 . 1 1 65 65 THR N N 65 113.200 113.200 118.656 -5.456 18551 250 1 . 1 1 65 65 THR HA H 65 4.440 4.440 4.384 0.056 18551 251 1 . 1 1 65 65 THR C C 65 171.400 171.400 173.315 -1.915 18551 252 1 . 1 1 65 65 THR CA C 65 61.400 61.400 61.643 -0.243 18551 253 1 . 1 1 65 65 THR CB C 65 71.600 71.600 69.345 2.255 18551 254 1 . 1 1 66 66 PHE N N 66 120.900 120.900 124.925 -4.025 18551 255 1 . 1 1 66 66 PHE HA H 66 4.420 4.420 4.719 -0.299 18551 256 1 . 1 1 66 66 PHE CA C 66 57.200 57.200 56.802 0.398 18551 257 1 . 1 1 66 66 PHE CB C 66 42.700 42.700 41.575 1.125 18551 258 1 . 1 1 67 67 TYR HA H 67 5.280 5.280 4.800 0.480 18551 259 1 . 1 1 67 67 TYR C C 67 174.800 174.800 175.105 -0.305 18551 260 1 . 1 1 67 67 TYR CA C 67 57.800 57.800 58.406 -0.606 18551 261 1 . 1 1 67 67 TYR CB C 67 38.500 38.500 39.079 -0.579 18551 262 1 . 1 1 68 68 SER N N 68 112.800 112.800 113.803 -1.003 18551 263 1 . 1 1 68 68 SER HA H 68 4.440 4.440 4.762 -0.322 18551 264 1 . 1 1 68 68 SER C C 68 172.200 172.200 174.451 -2.251 18551 265 1 . 1 1 68 68 SER CA C 68 57.000 57.000 57.011 -0.011 18551 266 1 . 1 1 68 68 SER CB C 68 66.400 66.400 66.350 0.050 18551 267 1 . 1 1 69 69 SER N N 69 117.800 117.800 119.999 -2.199 18551 268 1 . 1 1 69 69 SER HA H 69 3.630 3.630 3.759 -0.129 18551 269 1 . 1 1 69 69 SER CA C 69 61.900 61.900 61.853 0.047 18551 270 1 . 1 1 69 69 SER CB C 69 60.900 60.900 60.920 -0.020 18551 271 1 . 1 1 70 70 PRO HA H 70 4.260 4.260 4.234 0.026 18551 272 1 . 1 1 70 70 PRO C C 70 179.000 179.000 178.757 0.243 18551 273 1 . 1 1 70 70 PRO CA C 70 65.700 65.700 65.447 0.253 18551 274 1 . 1 1 70 70 PRO CB C 70 31.000 31.000 31.165 -0.165 18551 275 1 . 1 1 71 71 GLY N N 71 105.000 105.000 105.797 -0.797 18551 276 1 . 1 1 71 71 GLY C C 71 175.700 175.700 175.857 -0.157 18551 277 1 . 1 1 71 71 GLY CA C 71 46.700 46.700 46.373 0.327 18551 278 1 . 1 1 72 72 LEU N N 72 123.600 123.600 122.034 1.566 18551 279 1 . 1 1 72 72 LEU HA H 72 3.490 3.490 3.945 -0.455 18551 280 1 . 1 1 72 72 LEU C C 72 177.900 177.900 178.724 -0.824 18551 281 1 . 1 1 72 72 LEU CA C 72 57.800 57.800 57.485 0.315 18551 282 1 . 1 1 72 72 LEU CB C 72 40.300 40.300 41.732 -1.432 18551 283 1 . 1 1 73 73 THR N N 73 117.100 117.100 114.010 3.090 18551 284 1 . 1 1 73 73 THR HA H 73 3.710 3.710 3.981 -0.271 18551 285 1 . 1 1 73 73 THR C C 73 176.100 176.100 176.622 -0.522 18551 286 1 . 1 1 73 73 THR CA C 73 67.300 67.300 66.271 1.029 18551 287 1 . 1 1 73 73 THR CB C 73 68.700 68.700 68.404 0.296 18551 288 1 . 1 1 74 74 ARG N N 74 120.200 120.200 120.943 -0.743 18551 289 1 . 1 1 74 74 ARG HA H 74 3.980 3.980 3.972 0.008 18551 290 1 . 1 1 74 74 ARG C C 74 178.500 178.500 178.406 0.094 18551 291 1 . 1 1 74 74 ARG CA C 74 59.600 59.600 59.367 0.233 18551 292 1 . 1 1 74 74 ARG CB C 74 30.100 30.100 29.688 0.412 18551 293 1 . 1 1 75 75 HIS N N 75 118.700 118.700 119.217 -0.517 18551 294 1 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.443 -0.173 18551 295 1 . 1 1 75 75 HIS C C 75 176.900 176.900 177.557 -0.657 18551 296 1 . 1 1 75 75 HIS CA C 75 59.600 59.600 59.672 -0.072 18551 297 1 . 1 1 75 75 HIS CB C 75 28.900 28.900 30.431 -1.531 18551 298 1 . 1 1 76 76 ILE N N 76 121.600 121.600 119.141 2.459 18551 299 1 . 1 1 76 76 ILE HA H 76 3.420 3.420 3.913 -0.493 18551 300 1 . 1 1 76 76 ILE C C 76 177.800 177.800 177.876 -0.076 18551 301 1 . 1 1 76 76 ILE CA C 76 66.300 66.300 65.120 1.180 18551 302 1 . 1 1 76 76 ILE CB C 76 38.000 38.000 37.875 0.125 18551 303 1 . 1 1 77 77 ASN N N 77 115.900 115.900 117.038 -1.138 18551 304 1 . 1 1 77 77 ASN HA H 77 4.270 4.270 4.520 -0.250 18551 305 1 . 1 1 77 77 ASN C C 77 176.400 176.400 176.614 -0.214 18551 306 1 . 1 1 77 77 ASN CA C 77 55.800 55.800 55.712 0.088 18551 307 1 . 1 1 77 77 ASN CB C 77 38.400 38.400 38.568 -0.168 18551 308 1 . 1 1 78 78 LYS N N 78 116.200 116.200 119.294 -3.094 18551 309 1 . 1 1 78 78 LYS HA H 78 4.170 4.170 4.257 -0.087 18551 310 1 . 1 1 78 78 LYS C C 78 178.400 178.400 177.026 1.374 18551 311 1 . 1 1 78 78 LYS CA C 78 58.100 58.100 58.328 -0.228 18551 312 1 . 1 1 78 78 LYS CB C 78 34.000 34.000 33.463 0.537 18551 313 1 . 1 1 79 79 CYS N N 79 113.900 113.900 117.390 -3.490 18551 314 1 . 1 1 79 79 CYS HA H 79 4.090 4.090 4.442 -0.352 18551 315 1 . 1 1 79 79 CYS C C 79 174.200 174.200 174.292 -0.092 18551 316 1 . 1 1 79 79 CYS CA C 79 60.700 60.700 58.744 1.956 18551 317 1 . 1 1 79 79 CYS CB C 79 28.000 28.000 28.464 -0.464 18551 318 1 . 1 1 80 80 HIS N N 80 117.000 117.000 118.561 -1.561 18551 319 1 . 1 1 80 80 HIS HA H 80 5.280 5.280 4.831 0.449 18551 320 1 . 1 1 80 80 HIS CA C 80 51.700 51.700 53.856 -2.156 18551 321 1 . 1 1 80 80 HIS CB C 80 28.700 28.700 31.181 -2.481 18551 322 1 . 1 1 81 81 PRO HA H 81 4.320 4.320 4.742 -0.422 18551 323 1 . 1 1 81 81 PRO C C 81 178.100 178.100 177.196 0.904 18551 324 1 . 1 1 81 81 PRO CA C 81 64.700 64.700 63.320 1.380 18551 325 1 . 1 1 81 81 PRO CB C 81 31.500 31.500 32.216 -0.716 18551 326 1 . 1 1 82 82 SER N N 82 114.100 114.100 114.463 -0.363 18551 327 1 . 1 1 82 82 SER HA H 82 4.340 4.340 4.341 -0.001 18551 328 1 . 1 1 82 82 SER C C 82 174.900 174.900 174.460 0.440 18551 329 1 . 1 1 82 82 SER CA C 82 59.000 59.000 58.909 0.091 18551 330 1 . 1 1 82 82 SER CB C 82 63.300 63.300 62.787 0.513 18551 331 1 . 1 1 83 83 GLU N N 83 120.600 120.600 121.527 -0.927 18551 332 1 . 1 1 83 83 GLU HA H 83 4.230 4.230 4.134 0.096 18551 333 1 . 1 1 83 83 GLU C C 83 176.300 176.300 176.081 0.219 18551 334 1 . 1 1 83 83 GLU CA C 83 56.100 56.100 56.583 -0.483 18551 335 1 . 1 1 83 83 GLU CB C 83 29.400 29.400 28.798 0.602 18551 336 1 . 1 1 84 84 ASN N N 84 119.100 119.100 118.898 0.202 18551 337 1 . 1 1 84 84 ASN HA H 84 4.710 4.710 4.635 0.075 18551 338 1 . 1 1 84 84 ASN C C 84 174.100 174.100 174.842 -0.742 18551 339 1 . 1 1 84 84 ASN CA C 84 53.200 53.200 53.638 -0.438 18551 340 1 . 1 1 84 84 ASN CB C 84 39.000 39.000 38.682 0.318 18551 stop_ save_