data_19438 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19438 _Entry.PDB_ID 2MCF 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 19438 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS N N 2 124.740 124.740 119.940 4.800 19438 2 1 1 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.908 -0.098 19438 3 1 1 . 1 1 2 2 LYS C C 2 173.640 173.640 174.627 -0.987 19438 4 1 1 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.429 -1.469 19438 5 1 1 . 1 1 2 2 LYS CB C 2 34.850 34.850 37.073 -2.223 19438 6 1 1 . 1 1 2 2 LYS H H 2 8.620 8.620 8.200 0.420 19438 7 1 1 . 1 1 3 3 TYR N N 3 114.840 114.840 118.845 -4.005 19438 8 1 1 . 1 1 3 3 TYR HA H 3 5.252 5.252 5.145 0.107 19438 9 1 1 . 1 1 3 3 TYR C C 3 174.920 174.920 174.431 0.489 19438 10 1 1 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.264 0.096 19438 11 1 1 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.533 1.637 19438 12 1 1 . 1 1 3 3 TYR H H 3 8.927 8.927 9.451 -0.524 19438 13 1 1 . 1 1 4 4 ASP N N 4 119.790 119.790 122.842 -3.052 19438 14 1 1 . 1 1 4 4 ASP HA H 4 5.479 5.479 5.215 0.264 19438 15 1 1 . 1 1 4 4 ASP C C 4 175.780 175.780 174.478 1.302 19438 16 1 1 . 1 1 4 4 ASP CA C 4 52.900 52.900 52.180 0.720 19438 17 1 1 . 1 1 4 4 ASP CB C 4 43.970 43.970 44.069 -0.099 19438 18 1 1 . 1 1 4 4 ASP H H 4 9.170 9.170 9.237 -0.067 19438 19 1 1 . 1 1 5 5 VAL N N 5 122.030 122.030 127.340 -5.310 19438 20 1 1 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.644 0.078 19438 21 1 1 . 1 1 5 5 VAL C C 5 174.520 174.520 173.598 0.922 19438 22 1 1 . 1 1 5 5 VAL CA C 5 62.100 62.100 60.581 1.520 19438 23 1 1 . 1 1 5 5 VAL CB C 5 31.720 31.720 34.342 -2.622 19438 24 1 1 . 1 1 5 5 VAL H H 5 8.733 8.733 9.012 -0.279 19438 25 1 1 . 1 1 6 6 VAL N N 6 128.380 128.380 130.501 -2.121 19438 26 1 1 . 1 1 6 6 VAL HA H 6 4.646 4.646 5.115 -0.469 19438 27 1 1 . 1 1 6 6 VAL C C 6 174.330 174.330 173.503 0.827 19438 28 1 1 . 1 1 6 6 VAL CA C 6 61.750 61.750 59.492 2.258 19438 29 1 1 . 1 1 6 6 VAL CB C 6 34.060 34.060 33.675 0.385 19438 30 1 1 . 1 1 6 6 VAL H H 6 9.338 9.338 8.803 0.535 19438 31 1 1 . 1 1 7 7 ILE N N 7 127.540 127.540 130.542 -3.002 19438 32 1 1 . 1 1 7 7 ILE HA H 7 5.160 5.160 4.847 0.313 19438 33 1 1 . 1 1 7 7 ILE C C 7 175.260 175.260 173.797 1.463 19438 34 1 1 . 1 1 7 7 ILE CA C 7 60.210 60.210 59.126 1.084 19438 35 1 1 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.150 -0.050 19438 36 1 1 . 1 1 7 7 ILE H H 7 9.295 9.295 9.104 0.191 19438 37 1 1 . 1 1 8 8 ILE N N 8 126.500 126.500 129.377 -2.877 19438 38 1 1 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.679 0.083 19438 39 1 1 . 1 1 8 8 ILE CA C 8 58.790 58.790 58.140 0.650 19438 40 1 1 . 1 1 8 8 ILE CB C 8 41.100 41.100 38.884 2.216 19438 41 1 1 . 1 1 8 8 ILE H H 8 9.573 9.573 9.162 0.411 19438 42 1 1 . 1 1 9 9 PRO HA H 9 5.325 5.325 4.994 0.331 19438 43 1 1 . 1 1 9 9 PRO C C 9 174.390 174.390 175.590 -1.200 19438 44 1 1 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.729 -0.659 19438 45 1 1 . 1 1 9 9 PRO CB C 9 31.600 31.600 31.774 -0.174 19438 46 1 1 . 1 1 10 10 GLU N N 10 120.480 120.480 121.354 -0.874 19438 47 1 1 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.843 -0.070 19438 48 1 1 . 1 1 10 10 GLU C C 10 174.950 174.950 175.480 -0.530 19438 49 1 1 . 1 1 10 10 GLU CA C 10 55.600 55.600 54.920 0.680 19438 50 1 1 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.285 0.695 19438 51 1 1 . 1 1 10 10 GLU H H 10 9.218 9.218 9.009 0.209 19438 52 1 1 . 1 1 11 11 SER N N 11 117.470 117.470 121.159 -3.689 19438 53 1 1 . 1 1 11 11 SER HA H 11 4.686 4.686 4.266 0.420 19438 54 1 1 . 1 1 11 11 SER C C 11 174.460 174.460 173.803 0.657 19438 55 1 1 . 1 1 11 11 SER CA C 11 57.490 57.490 58.262 -0.772 19438 56 1 1 . 1 1 11 11 SER CB C 11 64.820 64.820 63.152 1.668 19438 57 1 1 . 1 1 11 11 SER H H 11 8.595 8.595 8.428 0.167 19438 58 1 1 . 1 1 12 12 PHE N N 12 122.760 122.760 124.325 -1.565 19438 59 1 1 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.523 0.148 19438 60 1 1 . 1 1 12 12 PHE C C 12 175.440 175.440 175.484 -0.044 19438 61 1 1 . 1 1 12 12 PHE CA C 12 58.580 58.580 57.013 1.567 19438 62 1 1 . 1 1 12 12 PHE CB C 12 39.940 39.940 39.201 0.739 19438 63 1 1 . 1 1 12 12 PHE H H 12 8.298 8.298 7.551 0.747 19438 64 1 1 . 1 1 13 13 HIS N N 13 120.600 120.600 124.201 -3.601 19438 65 1 1 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.855 -0.240 19438 66 1 1 . 1 1 13 13 HIS C C 13 174.530 174.530 174.895 -0.365 19438 67 1 1 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.065 0.546 19438 68 1 1 . 1 1 13 13 HIS CB C 13 31.000 31.000 31.875 -0.875 19438 69 1 1 . 1 1 13 13 HIS H H 13 8.243 8.243 8.611 -0.368 19438 70 1 1 . 1 1 14 14 ARG N N 14 122.290 122.290 125.625 -3.335 19438 71 1 1 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.433 -0.214 19438 72 1 1 . 1 1 14 14 ARG C C 14 176.070 176.070 175.780 0.290 19438 73 1 1 . 1 1 14 14 ARG CA C 14 56.580 56.580 55.439 1.141 19438 74 1 1 . 1 1 14 14 ARG CB C 14 30.790 30.790 30.495 0.295 19438 75 1 1 . 1 1 14 14 ARG H H 14 8.320 8.320 8.707 -0.387 19438 76 1 1 . 1 1 15 15 PHE N N 15 120.220 120.220 127.189 -6.969 19438 77 1 1 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.509 0.187 19438 78 1 1 . 1 1 15 15 PHE C C 15 175.550 175.550 175.610 -0.060 19438 79 1 1 . 1 1 15 15 PHE CA C 15 57.630 57.630 58.821 -1.191 19438 80 1 1 . 1 1 15 15 PHE CB C 15 39.920 39.920 38.895 1.025 19438 81 1 1 . 1 1 15 15 PHE H H 15 8.409 8.409 8.797 -0.388 19438 82 1 1 . 1 1 16 16 ASP N N 16 121.370 121.370 128.269 -6.899 19438 83 1 1 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.454 0.097 19438 84 1 1 . 1 1 16 16 ASP C C 16 176.590 176.590 176.164 0.426 19438 85 1 1 . 1 1 16 16 ASP CA C 16 54.180 54.180 53.374 0.806 19438 86 1 1 . 1 1 16 16 ASP CB C 16 41.410 41.410 42.355 -0.945 19438 87 1 1 . 1 1 16 16 ASP H H 16 8.397 8.397 8.303 0.094 19438 88 1 1 . 1 1 17 17 LYS N N 17 119.880 119.880 118.877 1.003 19438 89 1 1 . 1 1 17 17 LYS HA H 17 4.167 4.167 3.935 0.232 19438 90 1 1 . 1 1 17 17 LYS C C 17 176.550 176.550 177.071 -0.521 19438 91 1 1 . 1 1 17 17 LYS CA C 17 57.110 57.110 58.245 -1.135 19438 92 1 1 . 1 1 17 17 LYS CB C 17 32.420 32.420 32.664 -0.244 19438 93 1 1 . 1 1 17 17 LYS H H 17 8.188 8.188 8.303 -0.115 19438 94 1 1 . 1 1 18 18 HIS N N 18 118.390 118.390 113.294 5.096 19438 95 1 1 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.574 0.076 19438 96 1 1 . 1 1 18 18 HIS C C 18 175.020 175.020 174.062 0.958 19438 97 1 1 . 1 1 18 18 HIS CA C 18 56.260 56.260 56.264 -0.004 19438 98 1 1 . 1 1 18 18 HIS CB C 18 30.010 30.010 31.572 -1.562 19438 99 1 1 . 1 1 18 18 HIS H H 18 8.339 8.339 8.214 0.125 19438 100 1 1 . 1 1 19 19 ASN N N 19 118.700 118.700 118.996 -0.296 19438 101 1 1 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.847 -0.175 19438 102 1 1 . 1 1 19 19 ASN C C 19 175.170 175.170 174.189 0.981 19438 103 1 1 . 1 1 19 19 ASN CA C 19 53.800 53.800 52.962 0.838 19438 104 1 1 . 1 1 19 19 ASN CB C 19 38.730 38.730 38.152 0.578 19438 105 1 1 . 1 1 19 19 ASN H H 19 8.287 8.287 8.406 -0.119 19438 106 1 1 . 1 1 20 20 MET N N 20 120.140 120.140 120.311 -0.171 19438 107 1 1 . 1 1 20 20 MET HA H 20 4.475 4.475 4.655 -0.180 19438 108 1 1 . 1 1 20 20 MET C C 20 176.470 176.470 173.928 2.542 19438 109 1 1 . 1 1 20 20 MET CA C 20 55.640 55.640 55.712 -0.071 19438 110 1 1 . 1 1 20 20 MET CB C 20 33.500 33.500 33.818 -0.318 19438 111 1 1 . 1 1 20 20 MET H H 20 8.495 8.495 7.950 0.545 19438 112 1 1 . 1 1 21 21 GLU N N 21 120.920 120.920 120.607 0.313 19438 113 1 1 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.871 -0.670 19438 114 1 1 . 1 1 21 21 GLU C C 21 176.380 176.380 174.252 2.128 19438 115 1 1 . 1 1 21 21 GLU CA C 21 57.330 57.330 56.081 1.249 19438 116 1 1 . 1 1 21 21 GLU CB C 21 30.080 30.080 31.961 -1.881 19438 117 1 1 . 1 1 21 21 GLU H H 21 8.450 8.450 8.919 -0.469 19438 118 1 1 . 1 1 22 22 HIS N N 22 119.650 119.650 122.895 -3.245 19438 119 1 1 . 1 1 22 22 HIS HA H 22 4.687 4.687 4.700 -0.013 19438 120 1 1 . 1 1 22 22 HIS C C 22 174.470 174.470 173.223 1.247 19438 121 1 1 . 1 1 22 22 HIS CA C 22 55.980 55.980 55.783 0.197 19438 122 1 1 . 1 1 22 22 HIS CB C 22 30.530 30.530 30.922 -0.392 19438 123 1 1 . 1 1 22 22 HIS H H 22 8.334 8.334 8.497 -0.163 19438 124 1 1 . 1 1 23 23 ILE N N 23 121.910 121.910 125.882 -3.972 19438 125 1 1 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.240 -0.089 19438 126 1 1 . 1 1 23 23 ILE C C 23 175.870 175.870 174.324 1.546 19438 127 1 1 . 1 1 23 23 ILE CA C 23 61.170 61.170 59.239 1.931 19438 128 1 1 . 1 1 23 23 ILE CB C 23 38.850 38.850 40.502 -1.652 19438 129 1 1 . 1 1 23 23 ILE H H 23 7.782 7.782 7.913 -0.131 19438 130 1 1 . 1 1 24 24 CYS N N 24 124.920 124.920 127.414 -2.494 19438 131 1 1 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.786 0.008 19438 132 1 1 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.285 -3.155 19438 133 1 1 . 1 1 24 24 CYS CB C 24 42.470 42.470 27.738 14.732 19438 134 1 1 . 1 1 24 24 CYS H H 24 8.697 8.697 8.565 0.132 19438 135 1 1 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.564 0.166 19438 136 1 1 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.566 0.188 19438 137 1 1 . 1 1 26 26 PRO C C 26 175.820 175.820 175.731 0.089 19438 138 1 1 . 1 1 26 26 PRO CA C 26 62.580 62.580 63.068 -0.488 19438 139 1 1 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.964 -0.374 19438 140 1 1 . 1 1 27 27 MET N N 27 120.580 120.580 120.516 0.064 19438 141 1 1 . 1 1 27 27 MET HA H 27 5.180 5.180 5.179 0.001 19438 142 1 1 . 1 1 27 27 MET C C 27 174.810 174.810 175.122 -0.312 19438 143 1 1 . 1 1 27 27 MET CA C 27 53.270 53.270 55.095 -1.825 19438 144 1 1 . 1 1 27 27 MET CB C 27 34.580 34.580 35.807 -1.227 19438 145 1 1 . 1 1 27 27 MET H H 27 9.055 9.055 8.887 0.168 19438 146 1 1 . 1 1 28 28 VAL N N 28 122.030 122.030 123.560 -1.530 19438 147 1 1 . 1 1 28 28 VAL HA H 28 5.093 5.093 5.040 0.053 19438 148 1 1 . 1 1 28 28 VAL C C 28 175.710 175.710 174.550 1.160 19438 149 1 1 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.454 -0.804 19438 150 1 1 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.213 1.257 19438 151 1 1 . 1 1 28 28 VAL H H 28 8.575 8.575 9.038 -0.463 19438 152 1 1 . 1 1 29 29 ILE N N 29 129.440 129.440 127.178 2.262 19438 153 1 1 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.478 -0.112 19438 154 1 1 . 1 1 29 29 ILE C C 29 176.490 176.490 174.229 2.261 19438 155 1 1 . 1 1 29 29 ILE CA C 29 61.260 61.260 60.136 1.124 19438 156 1 1 . 1 1 29 29 ILE CB C 29 37.960 37.960 40.901 -2.941 19438 157 1 1 . 1 1 29 29 ILE H H 29 9.200 9.200 8.985 0.215 19438 158 1 1 . 1 1 30 30 GLY N N 30 112.580 112.580 115.254 -2.674 19438 159 1 1 . 1 1 30 30 GLY C C 30 175.350 175.350 173.640 1.710 19438 160 1 1 . 1 1 30 30 GLY CA C 30 46.110 46.110 45.173 0.937 19438 161 1 1 . 1 1 30 30 GLY H H 30 8.525 8.525 8.678 -0.153 19438 162 1 1 . 1 1 31 31 ASP N N 31 121.320 121.320 121.557 -0.237 19438 163 1 1 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.704 -0.601 19438 164 1 1 . 1 1 31 31 ASP C C 31 175.530 175.530 175.274 0.256 19438 165 1 1 . 1 1 31 31 ASP CA C 31 55.530 55.530 53.860 1.670 19438 166 1 1 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.961 -2.341 19438 167 1 1 . 1 1 31 31 ASP H H 31 9.133 9.133 8.295 0.838 19438 168 1 1 . 1 1 32 32 ARG N N 32 117.600 117.600 120.697 -3.097 19438 169 1 1 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.909 0.122 19438 170 1 1 . 1 1 32 32 ARG C C 32 177.060 177.060 175.718 1.342 19438 171 1 1 . 1 1 32 32 ARG CA C 32 52.790 52.790 54.002 -1.212 19438 172 1 1 . 1 1 32 32 ARG CB C 32 34.650 34.650 32.004 2.646 19438 173 1 1 . 1 1 32 32 ARG H H 32 9.529 9.529 7.810 1.719 19438 174 1 1 . 1 1 33 33 SER N N 33 116.150 116.150 119.311 -3.161 19438 175 1 1 . 1 1 33 33 SER HA H 33 4.819 4.819 4.806 0.013 19438 176 1 1 . 1 1 33 33 SER C C 33 174.290 174.290 175.334 -1.044 19438 177 1 1 . 1 1 33 33 SER CA C 33 58.130 58.130 57.181 0.949 19438 178 1 1 . 1 1 33 33 SER CB C 33 64.530 64.530 65.040 -0.510 19438 179 1 1 . 1 1 33 33 SER H H 33 8.400 8.400 8.861 -0.461 19438 180 1 1 . 1 1 34 34 TYR N N 34 122.110 122.110 123.609 -1.499 19438 181 1 1 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.574 -0.189 19438 182 1 1 . 1 1 34 34 TYR C C 34 176.280 176.280 177.257 -0.977 19438 183 1 1 . 1 1 34 34 TYR CA C 34 63.060 63.060 62.779 0.281 19438 184 1 1 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.121 0.229 19438 185 1 1 . 1 1 34 34 TYR H H 34 9.456 9.456 9.268 0.188 19438 186 1 1 . 1 1 35 35 ASP N N 35 114.640 114.640 117.575 -2.935 19438 187 1 1 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.386 -0.320 19438 188 1 1 . 1 1 35 35 ASP C C 35 179.460 179.460 178.461 0.999 19438 189 1 1 . 1 1 35 35 ASP CA C 35 57.380 57.380 58.377 -0.997 19438 190 1 1 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.257 -0.417 19438 191 1 1 . 1 1 35 35 ASP H H 35 8.611 8.611 8.868 -0.257 19438 192 1 1 . 1 1 36 36 ILE N N 36 120.860 120.860 119.960 0.900 19438 193 1 1 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.804 0.044 19438 194 1 1 . 1 1 36 36 ILE C C 36 178.000 178.000 177.446 0.554 19438 195 1 1 . 1 1 36 36 ILE CA C 36 62.660 62.660 64.193 -1.533 19438 196 1 1 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.837 -1.137 19438 197 1 1 . 1 1 36 36 ILE H H 36 7.298 7.298 7.316 -0.018 19438 198 1 1 . 1 1 37 37 ALA N N 37 123.260 123.260 124.094 -0.834 19438 199 1 1 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.923 -0.191 19438 200 1 1 . 1 1 37 37 ALA C C 37 179.720 179.720 179.092 0.628 19438 201 1 1 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.337 0.383 19438 202 1 1 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.238 -0.258 19438 203 1 1 . 1 1 37 37 ALA H H 37 8.906 8.906 8.698 0.208 19438 204 1 1 . 1 1 38 38 MET N N 38 114.900 114.900 117.400 -2.500 19438 205 1 1 . 1 1 38 38 MET HA H 38 4.282 4.282 4.047 0.235 19438 206 1 1 . 1 1 38 38 MET C C 38 178.940 178.940 178.327 0.613 19438 207 1 1 . 1 1 38 38 MET CA C 38 55.940 55.940 57.942 -2.002 19438 208 1 1 . 1 1 38 38 MET CB C 38 29.570 29.570 31.858 -2.288 19438 209 1 1 . 1 1 38 38 MET H H 38 8.237 8.237 8.163 0.074 19438 210 1 1 . 1 1 39 39 GLU N N 39 120.020 120.020 121.082 -1.062 19438 211 1 1 . 1 1 39 39 GLU HA H 39 4.101 4.101 4.025 0.076 19438 212 1 1 . 1 1 39 39 GLU C C 39 180.880 180.880 179.000 1.880 19438 213 1 1 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.466 0.164 19438 214 1 1 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.824 -0.774 19438 215 1 1 . 1 1 39 39 GLU H H 39 7.517 7.517 7.525 -0.008 19438 216 1 1 . 1 1 40 40 ILE N N 40 122.000 122.000 121.285 0.715 19438 217 1 1 . 1 1 40 40 ILE HA H 40 3.710 3.710 4.038 -0.328 19438 218 1 1 . 1 1 40 40 ILE C C 40 177.890 177.890 177.693 0.197 19438 219 1 1 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.091 1.149 19438 220 1 1 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.088 -1.188 19438 221 1 1 . 1 1 40 40 ILE H H 40 8.220 8.220 8.216 0.004 19438 222 1 1 . 1 1 41 41 VAL N N 41 120.760 120.760 119.978 0.782 19438 223 1 1 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.582 -0.196 19438 224 1 1 . 1 1 41 41 VAL C C 41 179.090 179.090 178.016 1.074 19438 225 1 1 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.036 0.824 19438 226 1 1 . 1 1 41 41 VAL CB C 41 31.330 31.330 30.741 0.590 19438 227 1 1 . 1 1 41 41 VAL H H 41 8.737 8.737 8.595 0.142 19438 228 1 1 . 1 1 42 42 ASN N N 42 119.950 119.950 118.632 1.318 19438 229 1 1 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.447 0.160 19438 230 1 1 . 1 1 42 42 ASN C C 42 178.080 178.080 177.688 0.392 19438 231 1 1 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.741 -0.861 19438 232 1 1 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.303 -0.812 19438 233 1 1 . 1 1 42 42 ASN H H 42 8.542 8.542 8.557 -0.015 19438 234 1 1 . 1 1 43 43 GLY N N 43 112.070 112.070 108.648 3.422 19438 235 1 1 . 1 1 43 43 GLY C C 43 176.070 176.070 176.472 -0.402 19438 236 1 1 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.334 0.256 19438 237 1 1 . 1 1 43 43 GLY H H 43 8.387 8.387 8.335 0.052 19438 238 1 1 . 1 1 44 44 VAL N N 44 122.900 122.900 122.470 0.430 19438 239 1 1 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.591 -0.064 19438 240 1 1 . 1 1 44 44 VAL C C 44 176.700 176.700 177.389 -0.689 19438 241 1 1 . 1 1 44 44 VAL CA C 44 66.840 66.840 65.979 0.861 19438 242 1 1 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.113 0.137 19438 243 1 1 . 1 1 44 44 VAL H H 44 9.078 9.078 8.387 0.691 19438 244 1 1 . 1 1 45 45 ASP N N 45 119.070 119.070 120.303 -1.233 19438 245 1 1 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.470 -0.278 19438 246 1 1 . 1 1 45 45 ASP C C 45 176.540 176.540 178.568 -2.028 19438 247 1 1 . 1 1 45 45 ASP CA C 45 58.490 58.490 57.963 0.527 19438 248 1 1 . 1 1 45 45 ASP CB C 45 42.940 42.940 41.118 1.822 19438 249 1 1 . 1 1 45 45 ASP H H 45 7.745 7.745 8.720 -0.975 19438 250 1 1 . 1 1 46 46 ARG N N 46 115.750 115.750 118.436 -2.686 19438 251 1 1 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.181 -0.187 19438 252 1 1 . 1 1 46 46 ARG C C 46 179.760 179.760 179.016 0.744 19438 253 1 1 . 1 1 46 46 ARG CA C 46 59.630 59.630 58.200 1.430 19438 254 1 1 . 1 1 46 46 ARG CB C 46 30.190 30.190 29.996 0.194 19438 255 1 1 . 1 1 46 46 ARG H H 46 7.557 7.557 7.927 -0.370 19438 256 1 1 . 1 1 47 47 VAL N N 47 118.740 118.740 120.988 -2.248 19438 257 1 1 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.724 0.188 19438 258 1 1 . 1 1 47 47 VAL C C 47 179.150 179.150 178.144 1.006 19438 259 1 1 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.609 -0.569 19438 260 1 1 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.741 0.029 19438 261 1 1 . 1 1 47 47 VAL H H 47 8.187 8.187 7.928 0.259 19438 262 1 1 . 1 1 48 48 ILE N N 48 122.340 122.340 120.451 1.889 19438 263 1 1 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.599 0.098 19438 264 1 1 . 1 1 48 48 ILE C C 48 178.130 178.130 178.250 -0.120 19438 265 1 1 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.437 1.203 19438 266 1 1 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.344 -0.714 19438 267 1 1 . 1 1 48 48 ILE H H 48 8.786 8.786 8.462 0.324 19438 268 1 1 . 1 1 49 49 LYS N N 49 116.860 116.860 118.211 -1.351 19438 269 1 1 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.249 -0.190 19438 270 1 1 . 1 1 49 49 LYS C C 49 178.120 178.120 178.270 -0.150 19438 271 1 1 . 1 1 49 49 LYS CA C 49 60.270 60.270 59.221 1.049 19438 272 1 1 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.482 0.618 19438 273 1 1 . 1 1 49 49 LYS H H 49 7.785 7.785 8.176 -0.391 19438 274 1 1 . 1 1 50 50 ALA N N 50 117.520 117.520 121.869 -4.349 19438 275 1 1 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.518 -0.162 19438 276 1 1 . 1 1 50 50 ALA C C 50 179.940 179.940 178.741 1.199 19438 277 1 1 . 1 1 50 50 ALA CA C 50 53.960 53.960 54.055 -0.095 19438 278 1 1 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.116 0.244 19438 279 1 1 . 1 1 50 50 ALA H H 50 7.740 7.740 7.788 -0.048 19438 280 1 1 . 1 1 51 51 SER N N 51 111.860 111.860 114.845 -2.985 19438 281 1 1 . 1 1 51 51 SER HA H 51 4.287 4.287 4.454 -0.167 19438 282 1 1 . 1 1 51 51 SER C C 51 172.840 172.840 174.061 -1.221 19438 283 1 1 . 1 1 51 51 SER CA C 51 60.610 60.610 60.054 0.556 19438 284 1 1 . 1 1 51 51 SER CB C 51 64.500 64.500 64.414 0.086 19438 285 1 1 . 1 1 51 51 SER H H 51 7.957 7.957 8.605 -0.648 19438 286 1 1 . 1 1 52 52 PHE N N 52 116.210 116.210 115.862 0.348 19438 287 1 1 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.602 0.175 19438 288 1 1 . 1 1 52 52 PHE C C 52 174.210 174.210 174.601 -0.391 19438 289 1 1 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.812 -0.522 19438 290 1 1 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.186 1.394 19438 291 1 1 . 1 1 52 52 PHE H H 52 7.901 7.901 7.472 0.429 19438 292 1 1 . 1 1 53 53 ASN N N 53 117.890 117.890 120.599 -2.709 19438 293 1 1 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.906 -0.004 19438 294 1 1 . 1 1 53 53 ASN C C 53 175.120 175.120 173.692 1.428 19438 295 1 1 . 1 1 53 53 ASN CA C 53 53.950 53.950 51.589 2.361 19438 296 1 1 . 1 1 53 53 ASN CB C 53 37.550 37.550 38.312 -0.762 19438 297 1 1 . 1 1 53 53 ASN H H 53 8.205 8.205 8.852 -0.647 19438 298 1 1 . 1 1 54 54 ALA N N 54 125.300 125.300 126.538 -1.238 19438 299 1 1 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.325 0.116 19438 300 1 1 . 1 1 54 54 ALA C C 54 176.800 176.800 176.603 0.197 19438 301 1 1 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.293 1.267 19438 302 1 1 . 1 1 54 54 ALA CB C 54 24.080 24.080 21.965 2.115 19438 303 1 1 . 1 1 54 54 ALA H H 54 8.246 8.246 7.574 0.672 19438 304 1 1 . 1 1 55 55 SER N N 55 115.850 115.850 118.806 -2.956 19438 305 1 1 . 1 1 55 55 SER HA H 55 4.789 4.789 4.969 -0.180 19438 306 1 1 . 1 1 55 55 SER C C 55 172.830 172.830 173.546 -0.716 19438 307 1 1 . 1 1 55 55 SER CA C 55 57.200 57.200 56.977 0.223 19438 308 1 1 . 1 1 55 55 SER CB C 55 65.460 65.460 64.539 0.921 19438 309 1 1 . 1 1 55 55 SER H H 55 8.606 8.606 8.632 -0.026 19438 310 1 1 . 1 1 56 56 VAL N N 56 121.700 121.700 126.753 -5.053 19438 311 1 1 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.833 -0.039 19438 312 1 1 . 1 1 56 56 VAL C C 56 173.160 173.160 175.071 -1.911 19438 313 1 1 . 1 1 56 56 VAL CA C 56 60.010 60.010 59.541 0.469 19438 314 1 1 . 1 1 56 56 VAL CB C 56 35.570 35.570 34.575 0.995 19438 315 1 1 . 1 1 56 56 VAL H H 56 8.648 8.648 8.756 -0.108 19438 316 1 1 . 1 1 57 57 GLU N N 57 126.130 126.130 126.908 -0.778 19438 317 1 1 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.579 -0.067 19438 318 1 1 . 1 1 57 57 GLU C C 57 174.090 174.090 174.523 -0.433 19438 319 1 1 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.907 -0.357 19438 320 1 1 . 1 1 57 57 GLU CB C 57 33.910 33.910 33.497 0.413 19438 321 1 1 . 1 1 57 57 GLU H H 57 8.122 8.122 9.158 -1.036 19438 322 1 1 . 1 1 58 58 GLU N N 58 124.740 124.740 124.913 -0.173 19438 323 1 1 . 1 1 58 58 GLU HA H 58 4.687 4.687 5.174 -0.487 19438 324 1 1 . 1 1 58 58 GLU C C 58 175.410 175.410 175.091 0.319 19438 325 1 1 . 1 1 58 58 GLU CA C 58 55.990 55.990 54.571 1.419 19438 326 1 1 . 1 1 58 58 GLU CB C 58 30.330 30.330 31.501 -1.171 19438 327 1 1 . 1 1 58 58 GLU H H 58 8.610 8.610 8.545 0.065 19438 328 1 1 . 1 1 59 59 LEU N N 59 126.780 126.780 123.878 2.902 19438 329 1 1 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.747 -0.036 19438 330 1 1 . 1 1 59 59 LEU C C 59 175.970 175.970 175.318 0.652 19438 331 1 1 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.657 0.123 19438 332 1 1 . 1 1 59 59 LEU CB C 59 45.320 45.320 46.025 -0.705 19438 333 1 1 . 1 1 59 59 LEU H H 59 8.259 8.259 8.983 -0.724 19438 334 1 1 . 1 1 60 60 GLU N N 60 119.810 119.810 119.902 -0.092 19438 335 1 1 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.506 -0.158 19438 336 1 1 . 1 1 60 60 GLU C C 60 177.560 177.560 176.063 1.497 19438 337 1 1 . 1 1 60 60 GLU CA C 60 57.340 57.340 54.688 2.652 19438 338 1 1 . 1 1 60 60 GLU CB C 60 30.260 30.260 31.521 -1.261 19438 339 1 1 . 1 1 60 60 GLU H H 60 8.258 8.258 8.442 -0.184 19438 340 1 1 . 1 1 61 61 GLY N N 61 117.720 117.720 111.992 5.728 19438 341 1 1 . 1 1 61 61 GLY C C 61 174.320 174.320 173.011 1.309 19438 342 1 1 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.227 0.343 19438 343 1 1 . 1 1 61 61 GLY H H 61 8.726 8.726 8.275 0.451 19438 344 1 1 . 1 1 62 62 GLU N N 62 121.700 121.700 119.646 2.054 19438 345 1 1 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.317 0.214 19438 346 1 1 . 1 1 62 62 GLU C C 62 177.690 177.690 177.447 0.243 19438 347 1 1 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.338 -0.788 19438 348 1 1 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.830 0.470 19438 349 1 1 . 1 1 62 62 GLU H H 62 9.337 9.337 8.395 0.942 19438 350 1 1 . 1 1 63 63 ASP N N 63 120.760 120.760 125.269 -4.509 19438 351 1 1 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.156 0.174 19438 352 1 1 . 1 1 63 63 ASP C C 63 178.080 178.080 176.510 1.570 19438 353 1 1 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.616 0.314 19438 354 1 1 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.685 0.085 19438 355 1 1 . 1 1 63 63 ASP H H 63 8.632 8.632 8.820 -0.188 19438 356 1 1 . 1 1 64 64 CYS N N 64 113.520 113.520 117.731 -4.211 19438 357 1 1 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.172 0.260 19438 358 1 1 . 1 1 64 64 CYS C C 64 173.700 173.700 174.729 -1.029 19438 359 1 1 . 1 1 64 64 CYS CA C 64 57.170 57.170 59.797 -2.627 19438 360 1 1 . 1 1 64 64 CYS CB C 64 41.210 41.210 27.390 13.820 19438 361 1 1 . 1 1 64 64 CYS H H 64 7.962 7.962 8.069 -0.107 19438 362 1 1 . 1 1 65 65 ASP N N 65 120.200 120.200 119.919 0.281 19438 363 1 1 . 1 1 65 65 ASP HA H 65 5.190 5.190 5.001 0.189 19438 364 1 1 . 1 1 65 65 ASP C C 65 176.540 176.540 176.050 0.490 19438 365 1 1 . 1 1 65 65 ASP CA C 65 54.310 54.310 55.378 -1.068 19438 366 1 1 . 1 1 65 65 ASP CB C 65 41.150 41.150 41.315 -0.165 19438 367 1 1 . 1 1 65 65 ASP H H 65 7.936 7.936 8.243 -0.307 19438 368 1 1 . 1 1 66 66 VAL N N 66 122.070 122.070 122.212 -0.142 19438 369 1 1 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.176 0.091 19438 370 1 1 . 1 1 66 66 VAL C C 66 176.000 176.000 175.800 0.200 19438 371 1 1 . 1 1 66 66 VAL CA C 66 63.190 63.190 63.510 -0.320 19438 372 1 1 . 1 1 66 66 VAL CB C 66 32.430 32.430 33.002 -0.572 19438 373 1 1 . 1 1 66 66 VAL H H 66 9.431 9.431 9.021 0.410 19438 374 1 1 . 1 1 67 67 LEU N N 67 119.700 119.700 120.574 -0.874 19438 375 1 1 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.742 -0.103 19438 376 1 1 . 1 1 67 67 LEU C C 67 174.400 174.400 173.731 0.669 19438 377 1 1 . 1 1 67 67 LEU CA C 67 55.100 55.100 54.482 0.618 19438 378 1 1 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.387 -0.367 19438 379 1 1 . 1 1 67 67 LEU H H 67 7.625 7.625 7.467 0.158 19438 380 1 1 . 1 1 68 68 TYR N N 68 126.330 126.330 127.119 -0.789 19438 381 1 1 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.282 0.568 19438 382 1 1 . 1 1 68 68 TYR C C 68 173.460 173.460 172.971 0.489 19438 383 1 1 . 1 1 68 68 TYR CA C 68 54.660 54.660 55.817 -1.157 19438 384 1 1 . 1 1 68 68 TYR CB C 68 38.140 38.140 41.159 -3.019 19438 385 1 1 . 1 1 68 68 TYR H H 68 9.086 9.086 9.212 -0.126 19438 386 1 1 . 1 1 69 69 ARG N N 69 127.440 127.440 129.506 -2.066 19438 387 1 1 . 1 1 69 69 ARG HA H 69 4.860 4.860 4.965 -0.105 19438 388 1 1 . 1 1 69 69 ARG C C 69 173.030 173.030 174.380 -1.350 19438 389 1 1 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.173 0.257 19438 390 1 1 . 1 1 69 69 ARG CB C 69 35.030 35.030 32.291 2.739 19438 391 1 1 . 1 1 69 69 ARG H H 69 9.569 9.569 9.415 0.154 19438 392 1 1 . 1 1 70 70 LYS N N 70 122.850 122.850 127.699 -4.849 19438 393 1 1 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.250 -0.245 19438 394 1 1 . 1 1 70 70 LYS C C 70 175.830 175.830 174.603 1.227 19438 395 1 1 . 1 1 70 70 LYS CA C 70 54.690 54.690 55.519 -0.829 19438 396 1 1 . 1 1 70 70 LYS CB C 70 36.040 36.040 35.459 0.581 19438 397 1 1 . 1 1 70 70 LYS H H 70 8.612 8.612 9.101 -0.489 19438 398 1 1 . 1 1 71 71 TYR N N 71 129.420 129.420 126.194 3.226 19438 399 1 1 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.089 0.213 19438 400 1 1 . 1 1 71 71 TYR C C 71 175.710 175.710 175.140 0.570 19438 401 1 1 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.575 0.385 19438 402 1 1 . 1 1 71 71 TYR CB C 71 40.330 40.330 42.124 -1.794 19438 403 1 1 . 1 1 71 71 TYR H H 71 9.762 9.762 9.480 0.282 19438 404 1 1 . 1 1 72 72 THR N N 72 119.820 119.820 121.777 -1.957 19438 405 1 1 . 1 1 72 72 THR HA H 72 4.707 4.707 4.691 0.016 19438 406 1 1 . 1 1 72 72 THR C C 72 173.860 173.860 173.402 0.458 19438 407 1 1 . 1 1 72 72 THR CA C 72 63.250 63.250 62.687 0.563 19438 408 1 1 . 1 1 72 72 THR CB C 72 69.370 69.370 69.030 0.340 19438 409 1 1 . 1 1 72 72 THR H H 72 8.845 8.845 9.307 -0.462 19438 410 1 1 . 1 1 73 73 LEU N N 73 125.420 125.420 127.694 -2.274 19438 411 1 1 . 1 1 73 73 LEU HA H 73 5.129 5.129 4.667 0.462 19438 412 1 1 . 1 1 73 73 LEU C C 73 175.760 175.760 175.335 0.425 19438 413 1 1 . 1 1 73 73 LEU CA C 73 54.080 54.080 53.705 0.375 19438 414 1 1 . 1 1 73 73 LEU CB C 73 45.350 45.350 42.889 2.461 19438 415 1 1 . 1 1 73 73 LEU H H 73 8.929 8.929 9.140 -0.211 19438 416 1 1 . 1 1 74 74 GLU N N 74 120.090 120.090 123.713 -3.623 19438 417 1 1 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.337 -0.123 19438 418 1 1 . 1 1 74 74 GLU C C 74 175.400 175.400 174.650 0.750 19438 419 1 1 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.288 0.452 19438 420 1 1 . 1 1 74 74 GLU CB C 74 33.040 33.040 33.465 -0.425 19438 421 1 1 . 1 1 74 74 GLU H H 74 8.311 8.311 8.480 -0.169 19438 422 1 1 . 1 1 75 75 LYS N N 75 124.230 124.230 124.991 -0.761 19438 423 1 1 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.632 -0.159 19438 424 1 1 . 1 1 75 75 LYS C C 75 175.380 175.380 174.633 0.747 19438 425 1 1 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.165 2.895 19438 426 1 1 . 1 1 75 75 LYS CB C 75 35.740 35.740 35.797 -0.056 19438 427 1 1 . 1 1 75 75 LYS H H 75 8.691 8.691 9.057 -0.366 19438 428 1 1 . 1 1 76 76 GLU N N 76 127.760 127.760 120.959 6.801 19438 429 1 1 . 1 1 76 76 GLU HA H 76 3.903 3.903 4.075 -0.172 19438 430 1 1 . 1 1 76 76 GLU C C 76 176.190 176.190 177.352 -1.162 19438 431 1 1 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.629 -0.179 19438 432 1 1 . 1 1 76 76 GLU CB C 76 27.830 27.830 27.104 0.726 19438 433 1 1 . 1 1 76 76 GLU H H 76 9.556 9.556 8.839 0.717 19438 434 1 1 . 1 1 77 77 GLY N N 77 106.560 106.560 112.796 -6.236 19438 435 1 1 . 1 1 77 77 GLY C C 77 174.320 174.320 173.846 0.474 19438 436 1 1 . 1 1 77 77 GLY CA C 77 45.640 45.640 45.513 0.127 19438 437 1 1 . 1 1 77 77 GLY H H 77 8.928 8.928 8.209 0.719 19438 438 1 1 . 1 1 78 78 LYS N N 78 121.600 121.600 119.089 2.511 19438 439 1 1 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.645 -0.060 19438 440 1 1 . 1 1 78 78 LYS C C 78 175.240 175.240 174.046 1.194 19438 441 1 1 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.243 0.137 19438 442 1 1 . 1 1 78 78 LYS CB C 78 33.490 33.490 36.025 -2.535 19438 443 1 1 . 1 1 78 78 LYS H H 78 8.015 8.015 7.776 0.239 19438 444 1 1 . 1 1 79 79 LYS N N 79 120.990 120.990 123.160 -2.170 19438 445 1 1 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.048 0.151 19438 446 1 1 . 1 1 79 79 LYS C C 79 176.150 176.150 174.893 1.257 19438 447 1 1 . 1 1 79 79 LYS CA C 79 55.070 55.070 55.098 -0.028 19438 448 1 1 . 1 1 79 79 LYS CB C 79 35.080 35.080 36.054 -0.974 19438 449 1 1 . 1 1 79 79 LYS H H 79 8.438 8.438 8.543 -0.105 19438 450 1 1 . 1 1 80 80 GLY N N 80 107.840 107.840 111.324 -3.484 19438 451 1 1 . 1 1 80 80 GLY C C 80 170.430 170.430 171.189 -0.759 19438 452 1 1 . 1 1 80 80 GLY CA C 80 45.260 45.260 44.523 0.737 19438 453 1 1 . 1 1 80 80 GLY H H 80 8.391 8.391 8.243 0.148 19438 454 1 1 . 1 1 81 81 ILE N N 81 120.670 120.670 119.657 1.013 19438 455 1 1 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.037 0.245 19438 456 1 1 . 1 1 81 81 ILE C C 81 175.210 175.210 173.505 1.705 19438 457 1 1 . 1 1 81 81 ILE CA C 81 58.640 58.640 58.609 0.031 19438 458 1 1 . 1 1 81 81 ILE CB C 81 42.420 42.420 42.015 0.405 19438 459 1 1 . 1 1 81 81 ILE H H 81 8.623 8.623 8.674 -0.051 19438 460 1 1 . 1 1 82 82 VAL N N 82 121.970 121.970 129.202 -7.232 19438 461 1 1 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.673 0.041 19438 462 1 1 . 1 1 82 82 VAL C C 82 174.230 174.230 174.429 -0.199 19438 463 1 1 . 1 1 82 82 VAL CA C 82 61.010 61.010 60.411 0.599 19438 464 1 1 . 1 1 82 82 VAL CB C 82 35.260 35.260 33.052 2.208 19438 465 1 1 . 1 1 82 82 VAL H H 82 8.967 8.967 9.189 -0.222 19438 466 1 1 . 1 1 83 83 HIS N N 83 129.690 129.690 127.227 2.463 19438 467 1 1 . 1 1 83 83 HIS HA H 83 5.219 5.219 5.197 0.022 19438 468 1 1 . 1 1 83 83 HIS C C 83 174.960 174.960 174.353 0.607 19438 469 1 1 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.176 1.264 19438 470 1 1 . 1 1 83 83 HIS CB C 83 32.240 32.240 31.719 0.521 19438 471 1 1 . 1 1 83 83 HIS H H 83 8.960 8.960 8.988 -0.028 19438 472 1 1 . 1 1 84 84 VAL N N 84 125.620 125.620 126.778 -1.158 19438 473 1 1 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.643 0.483 19438 474 1 1 . 1 1 84 84 VAL C C 84 174.590 174.590 174.260 0.330 19438 475 1 1 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.377 0.853 19438 476 1 1 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.617 1.403 19438 477 1 1 . 1 1 84 84 VAL H H 84 9.834 9.834 9.292 0.542 19438 478 1 1 . 1 1 85 85 LYS N N 85 125.370 125.370 126.594 -1.224 19438 479 1 1 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.312 0.152 19438 480 1 1 . 1 1 85 85 LYS C C 85 174.890 174.890 174.972 -0.082 19438 481 1 1 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.583 0.627 19438 482 1 1 . 1 1 85 85 LYS CB C 85 36.430 36.430 35.671 0.759 19438 483 1 1 . 1 1 85 85 LYS H H 85 9.517 9.517 8.804 0.713 19438 484 1 1 . 1 1 86 86 LEU N N 86 123.830 123.830 124.838 -1.008 19438 485 1 1 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.969 0.178 19438 486 1 1 . 1 1 86 86 LEU C C 86 174.760 174.760 175.973 -1.213 19438 487 1 1 . 1 1 86 86 LEU CA C 86 54.210 54.210 53.736 0.474 19438 488 1 1 . 1 1 86 86 LEU CB C 86 44.830 44.830 43.276 1.554 19438 489 1 1 . 1 1 86 86 LEU H H 86 8.400 8.400 9.100 -0.700 19438 490 1 1 . 1 1 87 87 ARG N N 87 128.610 128.610 124.398 4.212 19438 491 1 1 . 1 1 87 87 ARG HA H 87 5.473 5.473 5.074 0.399 19438 492 1 1 . 1 1 87 87 ARG C C 87 176.130 176.130 175.917 0.213 19438 493 1 1 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.628 0.342 19438 494 1 1 . 1 1 87 87 ARG CB C 87 34.230 34.230 32.849 1.381 19438 495 1 1 . 1 1 87 87 ARG H H 87 9.647 9.647 9.394 0.253 19438 496 1 1 . 1 1 88 88 LYS N N 88 122.810 122.810 124.148 -1.338 19438 497 1 1 . 1 1 88 88 LYS HA H 88 4.138 4.138 4.058 0.080 19438 498 1 1 . 1 1 88 88 LYS C C 88 174.890 174.890 175.577 -0.687 19438 499 1 1 . 1 1 88 88 LYS CA C 88 56.330 56.330 55.307 1.023 19438 500 1 1 . 1 1 88 88 LYS CB C 88 34.310 34.310 31.787 2.523 19438 501 1 1 . 1 1 88 88 LYS H H 88 8.510 8.510 9.047 -0.537 19438 502 1 1 . 1 1 89 89 ILE N N 89 120.880 120.880 129.046 -8.166 19438 503 1 1 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.424 0.207 19438 504 1 1 . 1 1 89 89 ILE C C 89 176.400 176.400 174.877 1.523 19438 505 1 1 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.454 -0.784 19438 506 1 1 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.674 -0.954 19438 507 1 1 . 1 1 89 89 ILE H H 89 7.470 7.470 8.076 -0.606 19438 508 1 1 . 1 1 90 90 THR N N 90 116.610 116.610 121.515 -4.905 19438 509 1 1 . 1 1 90 90 THR HA H 90 4.700 4.700 4.675 0.025 19438 510 1 1 . 1 1 90 90 THR CA C 90 59.100 59.100 59.986 -0.886 19438 511 1 1 . 1 1 90 90 THR CB C 90 72.600 72.600 70.892 1.708 19438 512 1 1 . 1 1 90 90 THR H H 90 7.701 7.701 8.355 -0.654 19438 513 1 1 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.190 -0.160 19438 514 1 1 . 1 1 91 91 GLU C C 91 177.100 177.100 177.053 0.047 19438 515 1 1 . 1 1 91 91 GLU CA C 91 59.640 59.640 58.624 1.016 19438 516 1 1 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.739 -0.690 19438 517 1 1 . 1 1 92 92 ASN N N 92 113.650 113.650 115.615 -1.965 19438 518 1 1 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.774 -0.074 19438 519 1 1 . 1 1 92 92 ASN C C 92 174.100 174.100 174.890 -0.790 19438 520 1 1 . 1 1 92 92 ASN CA C 92 53.490 53.490 54.395 -0.905 19438 521 1 1 . 1 1 92 92 ASN CB C 92 39.270 39.270 39.394 -0.124 19438 522 1 1 . 1 1 92 92 ASN H H 92 7.915 7.915 8.283 -0.368 19438 523 1 1 . 1 1 93 93 CYS N N 93 120.190 120.190 121.731 -1.541 19438 524 1 1 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.998 0.078 19438 525 1 1 . 1 1 93 93 CYS CA C 93 52.610 52.610 56.017 -3.407 19438 526 1 1 . 1 1 93 93 CYS CB C 93 42.090 42.090 27.656 14.434 19438 527 1 1 . 1 1 93 93 CYS H H 93 7.514 7.514 7.701 -0.187 19438 528 1 1 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.870 -0.080 19438 529 1 1 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.580 -0.080 19438 530 1 1 . 1 1 95 95 PRO C C 95 177.770 177.770 176.710 1.060 19438 531 1 1 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.850 -0.110 19438 532 1 1 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.139 -0.039 19438 533 1 1 . 1 1 96 96 VAL N N 96 123.600 123.600 125.508 -1.908 19438 534 1 1 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.153 -0.206 19438 535 1 1 . 1 1 96 96 VAL C C 96 175.780 175.780 176.027 -0.247 19438 536 1 1 . 1 1 96 96 VAL CA C 96 62.100 62.100 61.824 0.276 19438 537 1 1 . 1 1 96 96 VAL CB C 96 32.580 32.580 32.746 -0.166 19438 538 1 1 . 1 1 96 96 VAL H H 96 9.071 9.071 8.056 1.015 19438 539 1 1 . 1 1 97 97 ASP N N 97 125.400 125.400 123.412 1.988 19438 540 1 1 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.694 -0.024 19438 541 1 1 . 1 1 97 97 ASP C C 97 175.410 175.410 176.179 -0.769 19438 542 1 1 . 1 1 97 97 ASP CA C 97 54.010 54.010 54.394 -0.384 19438 543 1 1 . 1 1 97 97 ASP CB C 97 41.580 41.580 41.865 -0.285 19438 544 1 1 . 1 1 97 97 ASP H H 97 8.313 8.313 8.377 -0.064 19438 545 1 1 . 1 1 98 98 GLY N N 98 108.310 108.310 109.714 -1.404 19438 546 1 1 . 1 1 98 98 GLY C C 98 173.140 173.140 172.887 0.253 19438 547 1 1 . 1 1 98 98 GLY CA C 98 45.270 45.270 45.078 0.192 19438 548 1 1 . 1 1 98 98 GLY H H 98 7.838 7.838 8.125 -0.287 19438 549 1 1 . 1 1 99 99 ASN N N 99 120.050 120.050 119.392 0.658 19438 550 1 1 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.721 0.461 19438 551 1 1 . 1 1 99 99 ASN C C 99 174.700 174.700 175.074 -0.374 19438 552 1 1 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.359 -0.239 19438 553 1 1 . 1 1 99 99 ASN CB C 99 39.360 39.360 39.448 -0.088 19438 554 1 1 . 1 1 99 99 ASN H H 99 8.685 8.685 8.573 0.112 19438 555 1 1 . 1 1 100 100 ARG N N 100 121.100 121.100 121.636 -0.536 19438 556 1 1 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.550 0.359 19438 557 1 1 . 1 1 100 100 ARG C C 100 176.930 176.930 175.967 0.963 19438 558 1 1 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.079 0.731 19438 559 1 1 . 1 1 100 100 ARG CB C 100 31.710 31.710 31.134 0.576 19438 560 1 1 . 1 1 100 100 ARG H H 100 8.502 8.502 8.341 0.161 19438 561 1 1 . 1 1 101 101 CYS N N 101 121.180 121.180 125.457 -4.277 19438 562 1 1 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.450 0.256 19438 563 1 1 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.462 -3.192 19438 564 1 1 . 1 1 101 101 CYS H H 101 8.607 8.607 8.829 -0.222 19438 565 1 1 . 1 1 102 102 SER HA H 102 4.565 4.565 4.434 0.131 19438 566 1 1 . 1 1 102 102 SER C C 102 174.220 174.220 173.408 0.812 19438 567 1 1 . 1 1 102 102 SER CA C 102 57.900 57.900 58.291 -0.391 19438 568 1 1 . 1 1 102 102 SER CB C 102 63.700 63.700 62.103 1.597 19438 569 1 1 . 1 1 103 103 VAL N N 103 122.910 122.910 126.027 -3.117 19438 570 1 1 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.563 -0.341 19438 571 1 1 . 1 1 103 103 VAL C C 103 175.070 175.070 175.585 -0.515 19438 572 1 1 . 1 1 103 103 VAL CA C 103 62.440 62.440 62.647 -0.207 19438 573 1 1 . 1 1 103 103 VAL H H 103 8.332 8.332 8.013 0.319 19438 574 1 1 . 1 1 104 104 LEU N N 104 125.940 125.940 127.546 -1.606 19438 575 1 1 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.499 -0.086 19438 576 1 1 . 1 1 104 104 LEU C C 104 177.220 177.220 176.184 1.036 19438 577 1 1 . 1 1 104 104 LEU CA C 104 55.930 55.930 55.176 0.754 19438 578 1 1 . 1 1 104 104 LEU CB C 104 42.890 42.890 43.414 -0.524 19438 579 1 1 . 1 1 104 104 LEU H H 104 8.831 8.831 9.697 -0.866 19438 580 1 1 . 1 1 105 105 GLU N N 105 120.540 120.540 117.695 2.845 19438 581 1 1 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.641 -0.230 19438 582 1 1 . 1 1 105 105 GLU C C 105 175.400 175.400 176.500 -1.100 19438 583 1 1 . 1 1 105 105 GLU CA C 105 55.890 55.890 54.875 1.015 19438 584 1 1 . 1 1 105 105 GLU CB C 105 30.460 30.460 31.857 -1.397 19438 585 1 1 . 1 1 105 105 GLU H H 105 8.070 8.070 7.565 0.505 19438 586 1 1 . 1 1 106 106 PHE N N 106 124.060 124.060 123.757 0.303 19438 587 1 1 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.148 -0.087 19438 588 1 1 . 1 1 106 106 PHE C C 106 175.880 175.880 176.784 -0.904 19438 589 1 1 . 1 1 106 106 PHE CA C 106 62.120 62.120 62.171 -0.051 19438 590 1 1 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.515 0.155 19438 591 1 1 . 1 1 106 106 PHE H H 106 8.666 8.666 8.897 -0.231 19438 592 1 1 . 1 1 107 107 GLU N N 107 117.290 117.290 117.283 0.007 19438 593 1 1 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.904 -0.018 19438 594 1 1 . 1 1 107 107 GLU C C 107 178.050 178.050 179.336 -1.286 19438 595 1 1 . 1 1 107 107 GLU CA C 107 59.360 59.360 59.734 -0.374 19438 596 1 1 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.089 0.241 19438 597 1 1 . 1 1 107 107 GLU H H 107 8.932 8.932 8.873 0.059 19438 598 1 1 . 1 1 108 108 ARG N N 108 117.240 117.240 119.122 -1.882 19438 599 1 1 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.207 0.101 19438 600 1 1 . 1 1 108 108 ARG C C 108 177.930 177.930 178.577 -0.647 19438 601 1 1 . 1 1 108 108 ARG CA C 108 57.120 57.120 57.823 -0.703 19438 602 1 1 . 1 1 108 108 ARG CB C 108 31.110 31.110 29.791 1.319 19438 603 1 1 . 1 1 108 108 ARG H H 108 7.533 7.533 7.939 -0.406 19438 604 1 1 . 1 1 109 109 ASP N N 109 120.040 120.040 121.467 -1.427 19438 605 1 1 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.381 0.219 19438 606 1 1 . 1 1 109 109 ASP C C 109 177.980 177.980 178.681 -0.701 19438 607 1 1 . 1 1 109 109 ASP CA C 109 56.810 56.810 57.145 -0.335 19438 608 1 1 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.298 1.202 19438 609 1 1 . 1 1 109 109 ASP H H 109 8.295 8.295 8.548 -0.253 19438 610 1 1 . 1 1 110 110 ILE N N 110 118.710 118.710 120.042 -1.332 19438 611 1 1 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.675 0.119 19438 612 1 1 . 1 1 110 110 ILE C C 110 176.740 176.740 176.850 -0.110 19438 613 1 1 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.190 -1.340 19438 614 1 1 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.962 -0.932 19438 615 1 1 . 1 1 110 110 ILE H H 110 8.081 8.081 8.021 0.060 19438 616 1 1 . 1 1 111 111 GLU N N 111 121.140 121.140 120.409 0.731 19438 617 1 1 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.914 0.048 19438 618 1 1 . 1 1 111 111 GLU C C 111 177.400 177.400 178.562 -1.162 19438 619 1 1 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.675 -0.075 19438 620 1 1 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.540 -0.240 19438 621 1 1 . 1 1 111 111 GLU H H 111 7.558 7.558 7.754 -0.196 19438 622 1 1 . 1 1 112 112 CYS N N 112 117.380 117.380 119.231 -1.851 19438 623 1 1 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.239 -0.136 19438 624 1 1 . 1 1 112 112 CYS C C 112 176.570 176.570 177.272 -0.702 19438 625 1 1 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.654 -3.364 19438 626 1 1 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.161 15.749 19438 627 1 1 . 1 1 112 112 CYS H H 112 7.739 7.739 8.165 -0.426 19438 628 1 1 . 1 1 113 113 ILE N N 113 118.520 118.520 121.161 -2.641 19438 629 1 1 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.718 0.115 19438 630 1 1 . 1 1 113 113 ILE C C 113 177.220 177.220 178.302 -1.082 19438 631 1 1 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.337 0.073 19438 632 1 1 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.421 1.009 19438 633 1 1 . 1 1 113 113 ILE H H 113 7.682 7.682 7.925 -0.243 19438 634 1 1 . 1 1 114 114 VAL N N 114 120.390 120.390 120.454 -0.064 19438 635 1 1 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.608 -0.140 19438 636 1 1 . 1 1 114 114 VAL C C 114 177.970 177.970 177.763 0.207 19438 637 1 1 . 1 1 114 114 VAL CA C 114 67.960 67.960 67.684 0.276 19438 638 1 1 . 1 1 114 114 VAL CB C 114 31.730 31.730 31.223 0.507 19438 639 1 1 . 1 1 114 114 VAL H H 114 7.765 7.765 8.405 -0.640 19438 640 1 1 . 1 1 115 115 LYS N N 115 118.840 118.840 119.745 -0.905 19438 641 1 1 . 1 1 115 115 LYS HA H 115 4.129 4.129 4.037 0.092 19438 642 1 1 . 1 1 115 115 LYS C C 115 178.870 178.870 178.628 0.242 19438 643 1 1 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.597 -0.297 19438 644 1 1 . 1 1 115 115 LYS CB C 115 31.910 31.910 31.798 0.112 19438 645 1 1 . 1 1 115 115 LYS H H 115 8.314 8.314 8.353 -0.039 19438 646 1 1 . 1 1 116 116 ALA N N 116 121.000 121.000 122.911 -1.911 19438 647 1 1 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.118 0.108 19438 648 1 1 . 1 1 116 116 ALA C C 116 181.600 181.600 179.759 1.841 19438 649 1 1 . 1 1 116 116 ALA CA C 116 55.320 55.320 54.816 0.504 19438 650 1 1 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.244 0.406 19438 651 1 1 . 1 1 116 116 ALA H H 116 7.427 7.427 7.517 -0.090 19438 652 1 1 . 1 1 117 117 ILE N N 117 120.090 120.090 118.685 1.405 19438 653 1 1 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.501 -0.188 19438 654 1 1 . 1 1 117 117 ILE C C 117 177.630 177.630 177.814 -0.184 19438 655 1 1 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.714 0.796 19438 656 1 1 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.643 0.217 19438 657 1 1 . 1 1 117 117 ILE H H 117 8.121 8.121 8.107 0.014 19438 658 1 1 . 1 1 118 118 GLU N N 118 119.300 119.300 118.904 0.396 19438 659 1 1 . 1 1 118 118 GLU HA H 118 3.886 3.886 4.040 -0.154 19438 660 1 1 . 1 1 118 118 GLU C C 118 179.850 179.850 179.139 0.711 19438 661 1 1 . 1 1 118 118 GLU CA C 118 60.760 60.760 59.333 1.427 19438 662 1 1 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.007 0.643 19438 663 1 1 . 1 1 118 118 GLU H H 118 8.657 8.657 8.667 -0.010 19438 664 1 1 . 1 1 119 119 GLU N N 119 119.080 119.080 120.348 -1.268 19438 665 1 1 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.171 -0.103 19438 666 1 1 . 1 1 119 119 GLU C C 119 178.670 178.670 178.719 -0.049 19438 667 1 1 . 1 1 119 119 GLU CA C 119 59.390 59.390 59.281 0.109 19438 668 1 1 . 1 1 119 119 GLU CB C 119 29.720 29.720 30.000 -0.280 19438 669 1 1 . 1 1 119 119 GLU H H 119 8.596 8.596 8.218 0.378 19438 670 1 1 . 1 1 120 120 CYS N N 120 117.950 117.950 119.007 -1.057 19438 671 1 1 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.491 -0.049 19438 672 1 1 . 1 1 120 120 CYS C C 120 177.280 177.280 177.955 -0.675 19438 673 1 1 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.707 -4.227 19438 674 1 1 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.084 13.336 19438 675 1 1 . 1 1 120 120 CYS H H 120 7.686 7.686 8.038 -0.352 19438 676 1 1 . 1 1 121 121 LEU N N 121 118.000 118.000 120.361 -2.361 19438 677 1 1 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.147 -0.126 19438 678 1 1 . 1 1 121 121 LEU C C 121 179.010 179.010 178.372 0.638 19438 679 1 1 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.459 0.211 19438 680 1 1 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.989 -0.609 19438 681 1 1 . 1 1 121 121 LEU H H 121 8.194 8.194 8.417 -0.223 19438 682 1 1 . 1 1 122 122 ALA N N 122 119.940 119.940 118.266 1.674 19438 683 1 1 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.133 0.093 19438 684 1 1 . 1 1 122 122 ALA C C 122 179.040 179.040 178.922 0.118 19438 685 1 1 . 1 1 122 122 ALA CA C 122 54.160 54.160 53.541 0.619 19438 686 1 1 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.885 -0.005 19438 687 1 1 . 1 1 122 122 ALA H H 122 7.974 7.974 7.651 0.323 19438 688 1 1 . 1 1 123 123 LYS N N 123 117.940 117.940 118.119 -0.179 19438 689 1 1 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.185 0.006 19438 690 1 1 . 1 1 123 123 LYS C C 123 177.770 177.770 177.588 0.182 19438 691 1 1 . 1 1 123 123 LYS CA C 123 57.710 57.710 57.118 0.592 19438 692 1 1 . 1 1 123 123 LYS CB C 123 32.570 32.570 33.083 -0.513 19438 693 1 1 . 1 1 123 123 LYS H H 123 7.774 7.774 7.662 0.112 19438 694 1 1 . 1 1 124 124 GLY N N 124 107.510 107.510 107.403 0.107 19438 695 1 1 . 1 1 124 124 GLY C C 124 174.290 174.290 173.662 0.628 19438 696 1 1 . 1 1 124 124 GLY CA C 124 46.060 46.060 44.921 1.139 19438 697 1 1 . 1 1 124 124 GLY H H 124 8.084 8.084 7.185 0.899 19438 698 1 1 . 1 1 125 125 GLU N N 125 120.170 120.170 121.553 -1.383 19438 699 1 1 . 1 1 125 125 GLU HA H 125 4.318 4.318 4.514 -0.196 19438 700 1 1 . 1 1 125 125 GLU C C 125 176.940 176.940 176.159 0.781 19438 701 1 1 . 1 1 125 125 GLU CA C 125 56.780 56.780 58.049 -1.269 19438 702 1 1 . 1 1 125 125 GLU CB C 125 30.760 30.760 28.566 2.194 19438 703 1 1 . 1 1 125 125 GLU H H 125 7.997 7.997 8.580 -0.583 19438 704 1 1 . 1 1 126 126 LEU N N 126 122.210 122.210 122.833 -0.623 19438 705 1 1 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.801 -0.491 19438 706 1 1 . 1 1 126 126 LEU C C 126 177.320 177.320 175.550 1.770 19438 707 1 1 . 1 1 126 126 LEU CA C 126 55.940 55.940 52.724 3.216 19438 708 1 1 . 1 1 126 126 LEU CB C 126 42.540 42.540 47.430 -4.890 19438 709 1 1 . 1 1 126 126 LEU H H 126 8.218 8.218 7.844 0.374 19438 710 1 1 . 1 1 127 127 ASN N N 127 119.250 119.250 117.404 1.846 19438 711 1 1 . 1 1 127 127 ASN HA H 127 4.694 4.694 5.083 -0.389 19438 712 1 1 . 1 1 127 127 ASN C C 127 175.720 175.720 174.146 1.574 19438 713 1 1 . 1 1 127 127 ASN CA C 127 53.930 53.930 53.317 0.613 19438 714 1 1 . 1 1 127 127 ASN CB C 127 38.970 38.970 40.425 -1.455 19438 715 1 1 . 1 1 127 127 ASN H H 127 8.445 8.445 8.583 -0.138 19438 716 1 1 . 1 1 128 128 SER N N 128 116.060 116.060 115.958 0.102 19438 717 1 1 . 1 1 128 128 SER HA H 128 4.373 4.373 4.479 -0.106 19438 718 1 1 . 1 1 128 128 SER C C 128 174.830 174.830 172.794 2.036 19438 719 1 1 . 1 1 128 128 SER CA C 128 59.120 59.120 56.918 2.202 19438 720 1 1 . 1 1 128 128 SER CB C 128 63.830 63.830 64.612 -0.782 19438 721 1 1 . 1 1 128 128 SER H H 128 8.182 8.182 8.305 -0.123 19438 722 1 1 . 1 1 129 129 LYS N N 129 122.520 122.520 122.202 0.318 19438 723 1 1 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.239 0.119 19438 724 1 1 . 1 1 129 129 LYS C C 129 176.750 176.750 176.726 0.024 19438 725 1 1 . 1 1 129 129 LYS CA C 129 56.710 56.710 56.794 -0.083 19438 726 1 1 . 1 1 129 129 LYS CB C 129 32.760 32.760 33.018 -0.258 19438 727 1 1 . 1 1 129 129 LYS H H 129 8.154 8.154 8.500 -0.346 19438 728 1 1 . 1 1 130 130 LEU N N 130 122.340 122.340 126.806 -4.466 19438 729 1 1 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.368 -0.040 19438 730 1 1 . 1 1 130 130 LEU C C 130 177.430 177.430 175.730 1.700 19438 731 1 1 . 1 1 130 130 LEU CA C 130 57.430 57.430 55.465 1.965 19438 732 1 1 . 1 1 130 130 LEU CB C 130 42.380 42.380 40.020 2.360 19438 733 1 1 . 1 1 130 130 LEU H H 130 8.070 8.070 8.587 -0.517 19438 734 1 1 . 1 1 131 131 GLU N N 131 121.450 121.450 124.668 -3.218 19438 735 1 1 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.655 -0.360 19438 736 1 1 . 1 1 131 131 GLU C C 131 176.920 176.920 174.558 2.362 19438 737 1 1 . 1 1 131 131 GLU CA C 131 56.690 56.690 55.025 1.665 19438 738 1 1 . 1 1 131 131 GLU CB C 131 30.380 30.380 32.826 -2.446 19438 739 1 1 . 1 1 131 131 GLU H H 131 8.250 8.250 8.235 0.015 19438 740 1 1 . 1 1 132 132 GLY N N 132 109.900 109.900 106.986 2.914 19438 741 1 1 . 1 1 132 132 GLY C C 132 173.770 173.770 173.571 0.199 19438 742 1 1 . 1 1 132 132 GLY CA C 132 45.290 45.290 44.807 0.483 19438 743 1 1 . 1 1 132 132 GLY H H 132 8.334 8.334 8.357 -0.023 19438 744 1 1 . 1 1 133 133 LYS N N 133 121.920 121.920 123.592 -1.672 19438 745 1 1 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.899 -0.235 19438 746 1 1 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.041 1.109 19438 747 1 1 . 1 1 133 133 LYS CB C 133 32.710 32.710 32.717 -0.007 19438 748 1 1 . 1 1 133 133 LYS H H 133 8.037 8.037 8.972 -0.935 19438 749 1 1 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.354 0.097 19438 750 1 1 . 1 1 134 134 PRO C C 134 176.670 176.670 175.283 1.387 19438 751 1 1 . 1 1 134 134 PRO CA C 134 62.940 62.940 62.166 0.774 19438 752 1 1 . 1 1 134 134 PRO CB C 134 31.890 31.890 30.941 0.949 19438 753 1 1 . 1 1 135 135 ILE N N 135 122.710 122.710 124.725 -2.015 19438 754 1 1 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.276 0.152 19438 755 1 1 . 1 1 135 135 ILE CA C 135 58.770 58.770 57.235 1.535 19438 756 1 1 . 1 1 135 135 ILE CB C 135 38.640 38.640 37.489 1.151 19438 757 1 1 . 1 1 135 135 ILE H H 135 8.227 8.227 7.584 0.643 19438 758 1 1 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.365 0.007 19438 759 1 1 . 1 1 136 136 PRO C C 136 176.330 176.330 176.007 0.323 19438 760 1 1 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.789 0.461 19438 761 1 1 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.016 -0.006 19438 762 1 1 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.965 -0.024 19438 763 1 1 . 1 1 137 137 ASN CA C 137 51.270 51.270 49.847 1.423 19438 764 1 1 . 1 1 137 137 ASN CB C 137 38.670 38.670 39.769 -1.099 19438 765 1 1 . 1 1 137 137 ASN H H 137 8.383 8.383 8.367 0.016 19438 766 1 1 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.425 -0.021 19438 767 1 1 . 1 1 138 138 PRO C C 138 177.210 177.210 176.503 0.707 19438 768 1 1 . 1 1 138 138 PRO CA C 138 63.310 63.310 63.680 -0.370 19438 769 1 1 . 1 1 138 138 PRO CB C 138 32.100 32.100 32.124 -0.024 19438 770 1 1 . 1 1 139 139 LEU N N 139 119.860 119.860 121.391 -1.531 19438 771 1 1 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.478 -0.177 19438 772 1 1 . 1 1 139 139 LEU C C 139 177.640 177.640 176.041 1.599 19438 773 1 1 . 1 1 139 139 LEU CA C 139 55.610 55.610 54.751 0.859 19438 774 1 1 . 1 1 139 139 LEU CB C 139 41.540 41.540 42.611 -1.071 19438 775 1 1 . 1 1 139 139 LEU H H 139 8.096 8.096 8.035 0.061 19438 776 1 1 . 1 1 140 140 LEU N N 140 121.040 121.040 126.298 -5.258 19438 777 1 1 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.601 -0.286 19438 778 1 1 . 1 1 140 140 LEU C C 140 177.840 177.840 176.814 1.026 19438 779 1 1 . 1 1 140 140 LEU CA C 140 55.370 55.370 54.485 0.885 19438 780 1 1 . 1 1 140 140 LEU CB C 140 42.390 42.390 42.922 -0.532 19438 781 1 1 . 1 1 140 140 LEU H H 140 7.749 7.749 8.577 -0.828 19438 782 1 1 . 1 1 141 141 GLY N N 141 108.960 108.960 111.452 -2.492 19438 783 1 1 . 1 1 141 141 GLY C C 141 174.380 174.380 171.971 2.409 19438 784 1 1 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.859 -0.209 19438 785 1 1 . 1 1 141 141 GLY H H 141 8.231 8.231 8.782 -0.551 19438 786 1 1 . 1 1 142 142 LEU N N 142 121.470 121.470 117.804 3.666 19438 787 1 1 . 1 1 142 142 LEU HA H 142 4.336 4.336 5.673 -1.337 19438 788 1 1 . 1 1 142 142 LEU C C 142 177.390 177.390 175.547 1.843 19438 789 1 1 . 1 1 142 142 LEU CA C 142 55.630 55.630 52.543 3.087 19438 790 1 1 . 1 1 142 142 LEU CB C 142 42.600 42.600 44.446 -1.846 19438 791 1 1 . 1 1 142 142 LEU H H 142 8.004 8.004 8.159 -0.155 19438 792 1 1 . 1 1 143 143 ASP N N 143 120.770 120.770 119.551 1.219 19438 793 1 1 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.795 -0.122 19438 794 1 1 . 1 1 143 143 ASP C C 143 176.870 176.870 175.411 1.459 19438 795 1 1 . 1 1 143 143 ASP CA C 143 54.400 54.400 52.842 1.558 19438 796 1 1 . 1 1 143 143 ASP CB C 143 41.170 41.170 42.462 -1.292 19438 797 1 1 . 1 1 143 143 ASP H H 143 8.380 8.380 8.237 0.143 19438 798 1 1 . 1 1 144 144 SER N N 144 116.820 116.820 121.222 -4.402 19438 799 1 1 . 1 1 144 144 SER HA H 144 4.413 4.413 4.436 -0.023 19438 800 1 1 . 1 1 144 144 SER C C 144 175.300 175.300 173.885 1.415 19438 801 1 1 . 1 1 144 144 SER CA C 144 59.190 59.190 59.722 -0.532 19438 802 1 1 . 1 1 144 144 SER CB C 144 63.770 63.770 63.353 0.417 19438 803 1 1 . 1 1 144 144 SER H H 144 8.298 8.298 8.513 -0.215 19438 804 1 1 . 1 1 145 145 THR N N 145 114.870 114.870 119.277 -4.407 19438 805 1 1 . 1 1 145 145 THR HA H 145 4.419 4.419 4.414 0.005 19438 806 1 1 . 1 1 145 145 THR C C 145 175.070 175.070 173.034 2.036 19438 807 1 1 . 1 1 145 145 THR CA C 145 62.880 62.880 61.830 1.050 19438 808 1 1 . 1 1 145 145 THR CB C 145 69.710 69.710 70.565 -0.855 19438 809 1 1 . 1 1 145 145 THR H H 145 8.208 8.208 8.163 0.045 19438 810 1 1 . 1 1 146 146 ARG N N 146 122.450 122.450 125.296 -2.846 19438 811 1 1 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.489 -0.107 19438 812 1 1 . 1 1 146 146 ARG C C 146 176.570 176.570 176.491 0.079 19438 813 1 1 . 1 1 146 146 ARG CA C 146 56.350 56.350 55.584 0.766 19438 814 1 1 . 1 1 146 146 ARG CB C 146 30.620 30.620 31.536 -0.916 19438 815 1 1 . 1 1 146 146 ARG H H 146 8.122 8.122 8.319 -0.197 19438 816 1 1 . 1 1 147 147 THR N N 147 113.830 113.830 117.998 -4.168 19438 817 1 1 . 1 1 147 147 THR HA H 147 4.400 4.400 4.419 -0.019 19438 818 1 1 . 1 1 147 147 THR C C 147 175.200 175.200 174.740 0.460 19438 819 1 1 . 1 1 147 147 THR CA C 147 62.110 62.110 62.780 -0.670 19438 820 1 1 . 1 1 147 147 THR CB C 147 69.950 69.950 69.403 0.548 19438 821 1 1 . 1 1 147 147 THR H H 147 8.039 8.039 8.409 -0.370 19438 822 1 2 . 1 1 2 2 LYS N N 2 124.740 124.740 122.996 1.744 19438 823 1 2 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.940 -0.130 19438 824 1 2 . 1 1 2 2 LYS C C 2 173.640 173.640 174.886 -1.246 19438 825 1 2 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.519 -1.559 19438 826 1 2 . 1 1 2 2 LYS CB C 2 34.850 34.850 36.375 -1.525 19438 827 1 2 . 1 1 2 2 LYS H H 2 8.620 8.620 8.376 0.244 19438 828 1 2 . 1 1 3 3 TYR N N 3 114.840 114.840 118.766 -3.926 19438 829 1 2 . 1 1 3 3 TYR HA H 3 5.252 5.252 4.894 0.358 19438 830 1 2 . 1 1 3 3 TYR C C 3 174.920 174.920 174.637 0.283 19438 831 1 2 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.130 0.230 19438 832 1 2 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.851 1.319 19438 833 1 2 . 1 1 3 3 TYR H H 3 8.927 8.927 9.460 -0.533 19438 834 1 2 . 1 1 4 4 ASP N N 4 119.790 119.790 122.278 -2.488 19438 835 1 2 . 1 1 4 4 ASP HA H 4 5.479 5.479 5.137 0.342 19438 836 1 2 . 1 1 4 4 ASP C C 4 175.780 175.780 175.729 0.051 19438 837 1 2 . 1 1 4 4 ASP CA C 4 52.900 52.900 54.070 -1.170 19438 838 1 2 . 1 1 4 4 ASP CB C 4 43.970 43.970 41.987 1.983 19438 839 1 2 . 1 1 4 4 ASP H H 4 9.170 9.170 9.169 0.001 19438 840 1 2 . 1 1 5 5 VAL N N 5 122.030 122.030 126.249 -4.219 19438 841 1 2 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.195 0.527 19438 842 1 2 . 1 1 5 5 VAL C C 5 174.520 174.520 174.810 -0.290 19438 843 1 2 . 1 1 5 5 VAL CA C 5 62.100 62.100 62.656 -0.556 19438 844 1 2 . 1 1 5 5 VAL CB C 5 31.720 31.720 32.134 -0.414 19438 845 1 2 . 1 1 5 5 VAL H H 5 8.733 8.733 8.874 -0.141 19438 846 1 2 . 1 1 6 6 VAL N N 6 128.380 128.380 129.318 -0.938 19438 847 1 2 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.681 -0.035 19438 848 1 2 . 1 1 6 6 VAL C C 6 174.330 174.330 174.389 -0.059 19438 849 1 2 . 1 1 6 6 VAL CA C 6 61.750 61.750 61.444 0.306 19438 850 1 2 . 1 1 6 6 VAL CB C 6 34.060 34.060 32.569 1.491 19438 851 1 2 . 1 1 6 6 VAL H H 6 9.338 9.338 9.215 0.123 19438 852 1 2 . 1 1 7 7 ILE N N 7 127.540 127.540 129.427 -1.887 19438 853 1 2 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.049 0.111 19438 854 1 2 . 1 1 7 7 ILE C C 7 175.260 175.260 173.793 1.467 19438 855 1 2 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.865 1.345 19438 856 1 2 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.101 -0.001 19438 857 1 2 . 1 1 7 7 ILE H H 7 9.295 9.295 9.127 0.168 19438 858 1 2 . 1 1 8 8 ILE N N 8 126.500 126.500 130.195 -3.695 19438 859 1 2 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.657 0.105 19438 860 1 2 . 1 1 8 8 ILE CA C 8 58.790 58.790 58.132 0.658 19438 861 1 2 . 1 1 8 8 ILE CB C 8 41.100 41.100 39.158 1.942 19438 862 1 2 . 1 1 8 8 ILE H H 8 9.573 9.573 9.249 0.324 19438 863 1 2 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.260 0.065 19438 864 1 2 . 1 1 9 9 PRO C C 9 174.390 174.390 176.063 -1.673 19438 865 1 2 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.926 -0.856 19438 866 1 2 . 1 1 9 9 PRO CB C 9 31.600 31.600 32.307 -0.707 19438 867 1 2 . 1 1 10 10 GLU N N 10 120.480 120.480 121.352 -0.872 19438 868 1 2 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.667 0.106 19438 869 1 2 . 1 1 10 10 GLU C C 10 174.950 174.950 175.132 -0.182 19438 870 1 2 . 1 1 10 10 GLU CA C 10 55.600 55.600 54.682 0.918 19438 871 1 2 . 1 1 10 10 GLU CB C 10 33.980 33.980 35.007 -1.027 19438 872 1 2 . 1 1 10 10 GLU H H 10 9.218 9.218 9.277 -0.059 19438 873 1 2 . 1 1 11 11 SER N N 11 117.470 117.470 117.053 0.417 19438 874 1 2 . 1 1 11 11 SER HA H 11 4.686 4.686 4.750 -0.064 19438 875 1 2 . 1 1 11 11 SER C C 11 174.460 174.460 174.277 0.183 19438 876 1 2 . 1 1 11 11 SER CA C 11 57.490 57.490 56.847 0.643 19438 877 1 2 . 1 1 11 11 SER CB C 11 64.820 64.820 63.974 0.846 19438 878 1 2 . 1 1 11 11 SER H H 11 8.595 8.595 8.552 0.043 19438 879 1 2 . 1 1 12 12 PHE N N 12 122.760 122.760 125.055 -2.295 19438 880 1 2 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.454 0.217 19438 881 1 2 . 1 1 12 12 PHE C C 12 175.440 175.440 173.963 1.477 19438 882 1 2 . 1 1 12 12 PHE CA C 12 58.580 58.580 56.778 1.802 19438 883 1 2 . 1 1 12 12 PHE CB C 12 39.940 39.940 36.966 2.974 19438 884 1 2 . 1 1 12 12 PHE H H 12 8.298 8.298 8.521 -0.223 19438 885 1 2 . 1 1 13 13 HIS N N 13 120.600 120.600 123.495 -2.895 19438 886 1 2 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.866 -0.251 19438 887 1 2 . 1 1 13 13 HIS C C 13 174.530 174.530 174.655 -0.125 19438 888 1 2 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.328 0.282 19438 889 1 2 . 1 1 13 13 HIS CB C 13 31.000 31.000 31.628 -0.628 19438 890 1 2 . 1 1 13 13 HIS H H 13 8.243 8.243 8.190 0.053 19438 891 1 2 . 1 1 14 14 ARG N N 14 122.290 122.290 124.462 -2.172 19438 892 1 2 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.234 -0.015 19438 893 1 2 . 1 1 14 14 ARG C C 14 176.070 176.070 175.874 0.196 19438 894 1 2 . 1 1 14 14 ARG CA C 14 56.580 56.580 55.930 0.650 19438 895 1 2 . 1 1 14 14 ARG CB C 14 30.790 30.790 31.045 -0.255 19438 896 1 2 . 1 1 14 14 ARG H H 14 8.320 8.320 8.691 -0.371 19438 897 1 2 . 1 1 15 15 PHE N N 15 120.220 120.220 121.588 -1.368 19438 898 1 2 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.601 0.095 19438 899 1 2 . 1 1 15 15 PHE C C 15 175.550 175.550 176.762 -1.212 19438 900 1 2 . 1 1 15 15 PHE CA C 15 57.630 57.630 59.081 -1.450 19438 901 1 2 . 1 1 15 15 PHE CB C 15 39.920 39.920 39.196 0.724 19438 902 1 2 . 1 1 15 15 PHE H H 15 8.409 8.409 8.364 0.045 19438 903 1 2 . 1 1 16 16 ASP N N 16 121.370 121.370 125.242 -3.872 19438 904 1 2 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.845 -0.294 19438 905 1 2 . 1 1 16 16 ASP C C 16 176.590 176.590 175.967 0.623 19438 906 1 2 . 1 1 16 16 ASP CA C 16 54.180 54.180 52.401 1.779 19438 907 1 2 . 1 1 16 16 ASP CB C 16 41.410 41.410 43.123 -1.713 19438 908 1 2 . 1 1 16 16 ASP H H 16 8.397 8.397 8.106 0.291 19438 909 1 2 . 1 1 17 17 LYS N N 17 119.880 119.880 119.604 0.276 19438 910 1 2 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.133 0.034 19438 911 1 2 . 1 1 17 17 LYS C C 17 176.550 176.550 177.031 -0.481 19438 912 1 2 . 1 1 17 17 LYS CA C 17 57.110 57.110 58.384 -1.274 19438 913 1 2 . 1 1 17 17 LYS CB C 17 32.420 32.420 32.878 -0.458 19438 914 1 2 . 1 1 17 17 LYS H H 17 8.188 8.188 8.594 -0.406 19438 915 1 2 . 1 1 18 18 HIS N N 18 118.390 118.390 111.081 7.309 19438 916 1 2 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.774 -0.124 19438 917 1 2 . 1 1 18 18 HIS C C 18 175.020 175.020 175.476 -0.456 19438 918 1 2 . 1 1 18 18 HIS CA C 18 56.260 56.260 55.921 0.339 19438 919 1 2 . 1 1 18 18 HIS CB C 18 30.010 30.010 31.272 -1.262 19438 920 1 2 . 1 1 18 18 HIS H H 18 8.339 8.339 8.334 0.005 19438 921 1 2 . 1 1 19 19 ASN N N 19 118.700 118.700 117.316 1.384 19438 922 1 2 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.951 -0.279 19438 923 1 2 . 1 1 19 19 ASN C C 19 175.170 175.170 174.779 0.391 19438 924 1 2 . 1 1 19 19 ASN CA C 19 53.800 53.800 52.320 1.480 19438 925 1 2 . 1 1 19 19 ASN CB C 19 38.730 38.730 40.356 -1.626 19438 926 1 2 . 1 1 19 19 ASN H H 19 8.287 8.287 8.057 0.230 19438 927 1 2 . 1 1 20 20 MET N N 20 120.140 120.140 114.414 5.726 19438 928 1 2 . 1 1 20 20 MET HA H 20 4.475 4.475 3.985 0.490 19438 929 1 2 . 1 1 20 20 MET C C 20 176.470 176.470 173.744 2.726 19438 930 1 2 . 1 1 20 20 MET CA C 20 55.640 55.640 56.315 -0.675 19438 931 1 2 . 1 1 20 20 MET CB C 20 33.500 33.500 30.672 2.828 19438 932 1 2 . 1 1 20 20 MET H H 20 8.495 8.495 8.544 -0.049 19438 933 1 2 . 1 1 21 21 GLU N N 21 120.920 120.920 120.203 0.717 19438 934 1 2 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.351 -0.150 19438 935 1 2 . 1 1 21 21 GLU C C 21 176.380 176.380 173.755 2.625 19438 936 1 2 . 1 1 21 21 GLU CA C 21 57.330 57.330 55.936 1.394 19438 937 1 2 . 1 1 21 21 GLU CB C 21 30.080 30.080 32.924 -2.844 19438 938 1 2 . 1 1 21 21 GLU H H 21 8.450 8.450 8.063 0.387 19438 939 1 2 . 1 1 22 22 HIS N N 22 119.650 119.650 127.252 -7.602 19438 940 1 2 . 1 1 22 22 HIS HA H 22 4.687 4.687 5.537 -0.850 19438 941 1 2 . 1 1 22 22 HIS C C 22 174.470 174.470 173.225 1.245 19438 942 1 2 . 1 1 22 22 HIS CA C 22 55.980 55.980 55.146 0.834 19438 943 1 2 . 1 1 22 22 HIS CB C 22 30.530 30.530 31.273 -0.743 19438 944 1 2 . 1 1 22 22 HIS H H 22 8.334 8.334 8.876 -0.542 19438 945 1 2 . 1 1 23 23 ILE N N 23 121.910 121.910 126.139 -4.229 19438 946 1 2 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.378 -0.227 19438 947 1 2 . 1 1 23 23 ILE C C 23 175.870 175.870 175.603 0.267 19438 948 1 2 . 1 1 23 23 ILE CA C 23 61.170 61.170 59.290 1.880 19438 949 1 2 . 1 1 23 23 ILE CB C 23 38.850 38.850 37.659 1.191 19438 950 1 2 . 1 1 23 23 ILE H H 23 7.782 7.782 8.056 -0.274 19438 951 1 2 . 1 1 24 24 CYS N N 24 124.920 124.920 127.422 -2.502 19438 952 1 2 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.630 0.164 19438 953 1 2 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.469 -3.340 19438 954 1 2 . 1 1 24 24 CYS CB C 24 42.470 42.470 29.262 13.208 19438 955 1 2 . 1 1 24 24 CYS H H 24 8.697 8.697 9.292 -0.595 19438 956 1 2 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.433 0.297 19438 957 1 2 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.592 0.162 19438 958 1 2 . 1 1 26 26 PRO C C 26 175.820 175.820 175.902 -0.082 19438 959 1 2 . 1 1 26 26 PRO CA C 26 62.580 62.580 61.962 0.618 19438 960 1 2 . 1 1 26 26 PRO CB C 26 32.590 32.590 33.163 -0.573 19438 961 1 2 . 1 1 27 27 MET N N 27 120.580 120.580 124.997 -4.417 19438 962 1 2 . 1 1 27 27 MET HA H 27 5.180 5.180 5.075 0.105 19438 963 1 2 . 1 1 27 27 MET C C 27 174.810 174.810 175.277 -0.467 19438 964 1 2 . 1 1 27 27 MET CA C 27 53.270 53.270 54.425 -1.155 19438 965 1 2 . 1 1 27 27 MET CB C 27 34.580 34.580 33.687 0.893 19438 966 1 2 . 1 1 27 27 MET H H 27 9.055 9.055 9.017 0.038 19438 967 1 2 . 1 1 28 28 VAL N N 28 122.030 122.030 125.709 -3.679 19438 968 1 2 . 1 1 28 28 VAL HA H 28 5.093 5.093 4.783 0.310 19438 969 1 2 . 1 1 28 28 VAL C C 28 175.710 175.710 174.500 1.210 19438 970 1 2 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.869 -1.219 19438 971 1 2 . 1 1 28 28 VAL CB C 28 35.470 35.470 33.545 1.925 19438 972 1 2 . 1 1 28 28 VAL H H 28 8.575 8.575 8.866 -0.291 19438 973 1 2 . 1 1 29 29 ILE N N 29 129.440 129.440 127.997 1.443 19438 974 1 2 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.467 -0.101 19438 975 1 2 . 1 1 29 29 ILE C C 29 176.490 176.490 174.360 2.130 19438 976 1 2 . 1 1 29 29 ILE CA C 29 61.260 61.260 59.505 1.755 19438 977 1 2 . 1 1 29 29 ILE CB C 29 37.960 37.960 39.081 -1.121 19438 978 1 2 . 1 1 29 29 ILE H H 29 9.200 9.200 8.945 0.255 19438 979 1 2 . 1 1 30 30 GLY N N 30 112.580 112.580 114.851 -2.271 19438 980 1 2 . 1 1 30 30 GLY C C 30 175.350 175.350 173.838 1.512 19438 981 1 2 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.387 1.723 19438 982 1 2 . 1 1 30 30 GLY H H 30 8.525 8.525 8.802 -0.277 19438 983 1 2 . 1 1 31 31 ASP N N 31 121.320 121.320 120.908 0.412 19438 984 1 2 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.658 -0.555 19438 985 1 2 . 1 1 31 31 ASP C C 31 175.530 175.530 174.887 0.643 19438 986 1 2 . 1 1 31 31 ASP CA C 31 55.530 55.530 53.784 1.746 19438 987 1 2 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.767 -2.147 19438 988 1 2 . 1 1 31 31 ASP H H 31 9.133 9.133 7.825 1.308 19438 989 1 2 . 1 1 32 32 ARG N N 32 117.600 117.600 121.246 -3.646 19438 990 1 2 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.860 0.171 19438 991 1 2 . 1 1 32 32 ARG C C 32 177.060 177.060 176.008 1.052 19438 992 1 2 . 1 1 32 32 ARG CA C 32 52.790 52.790 54.048 -1.258 19438 993 1 2 . 1 1 32 32 ARG CB C 32 34.650 34.650 31.554 3.096 19438 994 1 2 . 1 1 32 32 ARG H H 32 9.529 9.529 7.927 1.602 19438 995 1 2 . 1 1 33 33 SER N N 33 116.150 116.150 119.742 -3.592 19438 996 1 2 . 1 1 33 33 SER HA H 33 4.819 4.819 4.825 -0.006 19438 997 1 2 . 1 1 33 33 SER C C 33 174.290 174.290 175.438 -1.148 19438 998 1 2 . 1 1 33 33 SER CA C 33 58.130 58.130 57.730 0.400 19438 999 1 2 . 1 1 33 33 SER CB C 33 64.530 64.530 64.867 -0.337 19438 1000 1 2 . 1 1 33 33 SER H H 33 8.400 8.400 8.899 -0.499 19438 1001 1 2 . 1 1 34 34 TYR N N 34 122.110 122.110 122.744 -0.634 19438 1002 1 2 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.589 -0.204 19438 1003 1 2 . 1 1 34 34 TYR C C 34 176.280 176.280 176.876 -0.596 19438 1004 1 2 . 1 1 34 34 TYR CA C 34 63.060 63.060 63.314 -0.254 19438 1005 1 2 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.346 0.004 19438 1006 1 2 . 1 1 34 34 TYR H H 34 9.456 9.456 9.249 0.207 19438 1007 1 2 . 1 1 35 35 ASP N N 35 114.640 114.640 117.952 -3.312 19438 1008 1 2 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.377 -0.311 19438 1009 1 2 . 1 1 35 35 ASP C C 35 179.460 179.460 178.157 1.303 19438 1010 1 2 . 1 1 35 35 ASP CA C 35 57.380 57.380 57.674 -0.294 19438 1011 1 2 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.493 -0.653 19438 1012 1 2 . 1 1 35 35 ASP H H 35 8.611 8.611 8.598 0.013 19438 1013 1 2 . 1 1 36 36 ILE N N 36 120.860 120.860 120.548 0.312 19438 1014 1 2 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.870 -0.022 19438 1015 1 2 . 1 1 36 36 ILE C C 36 178.000 178.000 177.335 0.665 19438 1016 1 2 . 1 1 36 36 ILE CA C 36 62.660 62.660 63.695 -1.035 19438 1017 1 2 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.980 -1.280 19438 1018 1 2 . 1 1 36 36 ILE H H 36 7.298 7.298 7.487 -0.190 19438 1019 1 2 . 1 1 37 37 ALA N N 37 123.260 123.260 124.069 -0.809 19438 1020 1 2 . 1 1 37 37 ALA HA H 37 3.732 3.732 4.003 -0.271 19438 1021 1 2 . 1 1 37 37 ALA C C 37 179.720 179.720 179.661 0.059 19438 1022 1 2 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.449 0.271 19438 1023 1 2 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.277 -0.297 19438 1024 1 2 . 1 1 37 37 ALA H H 37 8.906 8.906 8.676 0.230 19438 1025 1 2 . 1 1 38 38 MET N N 38 114.900 114.900 116.324 -1.424 19438 1026 1 2 . 1 1 38 38 MET HA H 38 4.282 4.282 4.118 0.164 19438 1027 1 2 . 1 1 38 38 MET C C 38 178.940 178.940 178.485 0.455 19438 1028 1 2 . 1 1 38 38 MET CA C 38 55.940 55.940 56.556 -0.616 19438 1029 1 2 . 1 1 38 38 MET CB C 38 29.570 29.570 31.023 -1.453 19438 1030 1 2 . 1 1 38 38 MET H H 38 8.237 8.237 8.148 0.089 19438 1031 1 2 . 1 1 39 39 GLU N N 39 120.020 120.020 121.122 -1.102 19438 1032 1 2 . 1 1 39 39 GLU HA H 39 4.101 4.101 3.996 0.105 19438 1033 1 2 . 1 1 39 39 GLU C C 39 180.880 180.880 178.947 1.933 19438 1034 1 2 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.284 0.346 19438 1035 1 2 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.074 -0.024 19438 1036 1 2 . 1 1 39 39 GLU H H 39 7.517 7.517 7.540 -0.023 19438 1037 1 2 . 1 1 40 40 ILE N N 40 122.000 122.000 120.240 1.760 19438 1038 1 2 . 1 1 40 40 ILE HA H 40 3.710 3.710 4.093 -0.383 19438 1039 1 2 . 1 1 40 40 ILE C C 40 177.890 177.890 177.520 0.370 19438 1040 1 2 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.030 1.210 19438 1041 1 2 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.061 -1.161 19438 1042 1 2 . 1 1 40 40 ILE H H 40 8.220 8.220 8.121 0.099 19438 1043 1 2 . 1 1 41 41 VAL N N 41 120.760 120.760 120.869 -0.109 19438 1044 1 2 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.548 -0.162 19438 1045 1 2 . 1 1 41 41 VAL C C 41 179.090 179.090 177.858 1.232 19438 1046 1 2 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.672 0.188 19438 1047 1 2 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.281 0.049 19438 1048 1 2 . 1 1 41 41 VAL H H 41 8.737 8.737 8.084 0.653 19438 1049 1 2 . 1 1 42 42 ASN N N 42 119.950 119.950 118.507 1.443 19438 1050 1 2 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.465 0.142 19438 1051 1 2 . 1 1 42 42 ASN C C 42 178.080 178.080 177.674 0.406 19438 1052 1 2 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.331 -0.451 19438 1053 1 2 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.068 -0.578 19438 1054 1 2 . 1 1 42 42 ASN H H 42 8.542 8.542 8.631 -0.089 19438 1055 1 2 . 1 1 43 43 GLY N N 43 112.070 112.070 108.270 3.800 19438 1056 1 2 . 1 1 43 43 GLY C C 43 176.070 176.070 176.623 -0.553 19438 1057 1 2 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.299 0.291 19438 1058 1 2 . 1 1 43 43 GLY H H 43 8.387 8.387 8.012 0.375 19438 1059 1 2 . 1 1 44 44 VAL N N 44 122.900 122.900 122.299 0.601 19438 1060 1 2 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.620 -0.093 19438 1061 1 2 . 1 1 44 44 VAL C C 44 176.700 176.700 177.276 -0.576 19438 1062 1 2 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.659 0.180 19438 1063 1 2 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.414 -0.164 19438 1064 1 2 . 1 1 44 44 VAL H H 44 9.078 9.078 8.332 0.746 19438 1065 1 2 . 1 1 45 45 ASP N N 45 119.070 119.070 119.908 -0.838 19438 1066 1 2 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.221 -0.029 19438 1067 1 2 . 1 1 45 45 ASP C C 45 176.540 176.540 178.728 -2.188 19438 1068 1 2 . 1 1 45 45 ASP CA C 45 58.490 58.490 58.198 0.292 19438 1069 1 2 . 1 1 45 45 ASP CB C 45 42.940 42.940 40.995 1.946 19438 1070 1 2 . 1 1 45 45 ASP H H 45 7.745 7.745 8.503 -0.758 19438 1071 1 2 . 1 1 46 46 ARG N N 46 115.750 115.750 118.330 -2.580 19438 1072 1 2 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.152 -0.158 19438 1073 1 2 . 1 1 46 46 ARG C C 46 179.760 179.760 179.056 0.704 19438 1074 1 2 . 1 1 46 46 ARG CA C 46 59.630 59.630 59.190 0.440 19438 1075 1 2 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.407 -0.216 19438 1076 1 2 . 1 1 46 46 ARG H H 46 7.557 7.557 7.757 -0.200 19438 1077 1 2 . 1 1 47 47 VAL N N 47 118.740 118.740 120.517 -1.777 19438 1078 1 2 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.831 0.081 19438 1079 1 2 . 1 1 47 47 VAL C C 47 179.150 179.150 177.999 1.151 19438 1080 1 2 . 1 1 47 47 VAL CA C 47 66.040 66.040 65.808 0.231 19438 1081 1 2 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.132 0.638 19438 1082 1 2 . 1 1 47 47 VAL H H 47 8.187 8.187 7.613 0.574 19438 1083 1 2 . 1 1 48 48 ILE N N 48 122.340 122.340 121.438 0.902 19438 1084 1 2 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.683 0.014 19438 1085 1 2 . 1 1 48 48 ILE C C 48 178.130 178.130 178.056 0.074 19438 1086 1 2 . 1 1 48 48 ILE CA C 48 66.640 66.640 66.087 0.553 19438 1087 1 2 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.454 -0.824 19438 1088 1 2 . 1 1 48 48 ILE H H 48 8.786 8.786 8.547 0.239 19438 1089 1 2 . 1 1 49 49 LYS N N 49 116.860 116.860 118.150 -1.290 19438 1090 1 2 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.121 -0.062 19438 1091 1 2 . 1 1 49 49 LYS C C 49 178.120 178.120 178.382 -0.262 19438 1092 1 2 . 1 1 49 49 LYS CA C 49 60.270 60.270 59.281 0.989 19438 1093 1 2 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.284 0.816 19438 1094 1 2 . 1 1 49 49 LYS H H 49 7.785 7.785 7.986 -0.201 19438 1095 1 2 . 1 1 50 50 ALA N N 50 117.520 117.520 120.927 -3.407 19438 1096 1 2 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.415 -0.059 19438 1097 1 2 . 1 1 50 50 ALA C C 50 179.940 179.940 178.728 1.212 19438 1098 1 2 . 1 1 50 50 ALA CA C 50 53.960 53.960 54.340 -0.380 19438 1099 1 2 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.279 0.081 19438 1100 1 2 . 1 1 50 50 ALA H H 50 7.740 7.740 7.698 0.042 19438 1101 1 2 . 1 1 51 51 SER N N 51 111.860 111.860 112.796 -0.936 19438 1102 1 2 . 1 1 51 51 SER HA H 51 4.287 4.287 4.314 -0.027 19438 1103 1 2 . 1 1 51 51 SER C C 51 172.840 172.840 173.820 -0.980 19438 1104 1 2 . 1 1 51 51 SER CA C 51 60.610 60.610 60.533 0.077 19438 1105 1 2 . 1 1 51 51 SER CB C 51 64.500 64.500 64.145 0.355 19438 1106 1 2 . 1 1 51 51 SER H H 51 7.957 7.957 8.370 -0.413 19438 1107 1 2 . 1 1 52 52 PHE N N 52 116.210 116.210 117.803 -1.593 19438 1108 1 2 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.652 0.126 19438 1109 1 2 . 1 1 52 52 PHE C C 52 174.210 174.210 174.252 -0.042 19438 1110 1 2 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.033 0.257 19438 1111 1 2 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.958 0.622 19438 1112 1 2 . 1 1 52 52 PHE H H 52 7.901 7.901 7.737 0.164 19438 1113 1 2 . 1 1 53 53 ASN N N 53 117.890 117.890 120.219 -2.329 19438 1114 1 2 . 1 1 53 53 ASN HA H 53 4.902 4.902 5.342 -0.440 19438 1115 1 2 . 1 1 53 53 ASN C C 53 175.120 175.120 173.888 1.232 19438 1116 1 2 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.017 1.933 19438 1117 1 2 . 1 1 53 53 ASN CB C 53 37.550 37.550 39.727 -2.177 19438 1118 1 2 . 1 1 53 53 ASN H H 53 8.205 8.205 8.841 -0.636 19438 1119 1 2 . 1 1 54 54 ALA N N 54 125.300 125.300 128.203 -2.903 19438 1120 1 2 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.377 0.064 19438 1121 1 2 . 1 1 54 54 ALA C C 54 176.800 176.800 176.087 0.713 19438 1122 1 2 . 1 1 54 54 ALA CA C 54 51.560 51.560 49.992 1.568 19438 1123 1 2 . 1 1 54 54 ALA CB C 54 24.080 24.080 22.299 1.781 19438 1124 1 2 . 1 1 54 54 ALA H H 54 8.246 8.246 8.032 0.214 19438 1125 1 2 . 1 1 55 55 SER N N 55 115.850 115.850 115.137 0.713 19438 1126 1 2 . 1 1 55 55 SER HA H 55 4.789 4.789 4.847 -0.058 19438 1127 1 2 . 1 1 55 55 SER C C 55 172.830 172.830 172.872 -0.042 19438 1128 1 2 . 1 1 55 55 SER CA C 55 57.200 57.200 57.280 -0.080 19438 1129 1 2 . 1 1 55 55 SER CB C 55 65.460 65.460 65.586 -0.126 19438 1130 1 2 . 1 1 55 55 SER H H 55 8.606 8.606 8.769 -0.163 19438 1131 1 2 . 1 1 56 56 VAL N N 56 121.700 121.700 128.080 -6.380 19438 1132 1 2 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.203 0.591 19438 1133 1 2 . 1 1 56 56 VAL C C 56 173.160 173.160 174.886 -1.726 19438 1134 1 2 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.618 -0.608 19438 1135 1 2 . 1 1 56 56 VAL CB C 56 35.570 35.570 32.579 2.991 19438 1136 1 2 . 1 1 56 56 VAL H H 56 8.648 8.648 8.585 0.063 19438 1137 1 2 . 1 1 57 57 GLU N N 57 126.130 126.130 129.839 -3.709 19438 1138 1 2 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.645 -0.133 19438 1139 1 2 . 1 1 57 57 GLU C C 57 174.090 174.090 174.841 -0.751 19438 1140 1 2 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.660 -0.110 19438 1141 1 2 . 1 1 57 57 GLU CB C 57 33.910 33.910 31.806 2.104 19438 1142 1 2 . 1 1 57 57 GLU H H 57 8.122 8.122 8.900 -0.778 19438 1143 1 2 . 1 1 58 58 GLU N N 58 124.740 124.740 124.419 0.321 19438 1144 1 2 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.449 0.238 19438 1145 1 2 . 1 1 58 58 GLU C C 58 175.410 175.410 175.472 -0.062 19438 1146 1 2 . 1 1 58 58 GLU CA C 58 55.990 55.990 55.795 0.195 19438 1147 1 2 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.850 -0.520 19438 1148 1 2 . 1 1 58 58 GLU H H 58 8.610 8.610 8.638 -0.028 19438 1149 1 2 . 1 1 59 59 LEU N N 59 126.780 126.780 123.269 3.511 19438 1150 1 2 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.726 -0.015 19438 1151 1 2 . 1 1 59 59 LEU C C 59 175.970 175.970 175.945 0.025 19438 1152 1 2 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.307 0.473 19438 1153 1 2 . 1 1 59 59 LEU CB C 59 45.320 45.320 46.807 -1.487 19438 1154 1 2 . 1 1 59 59 LEU H H 59 8.259 8.259 8.961 -0.702 19438 1155 1 2 . 1 1 60 60 GLU N N 60 119.810 119.810 119.908 -0.098 19438 1156 1 2 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.574 -0.226 19438 1157 1 2 . 1 1 60 60 GLU C C 60 177.560 177.560 176.137 1.423 19438 1158 1 2 . 1 1 60 60 GLU CA C 60 57.340 57.340 55.377 1.963 19438 1159 1 2 . 1 1 60 60 GLU CB C 60 30.260 30.260 30.978 -0.718 19438 1160 1 2 . 1 1 60 60 GLU H H 60 8.258 8.258 8.496 -0.238 19438 1161 1 2 . 1 1 61 61 GLY N N 61 117.720 117.720 111.124 6.596 19438 1162 1 2 . 1 1 61 61 GLY C C 61 174.320 174.320 173.999 0.321 19438 1163 1 2 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.371 0.199 19438 1164 1 2 . 1 1 61 61 GLY H H 61 8.726 8.726 8.399 0.327 19438 1165 1 2 . 1 1 62 62 GLU N N 62 121.700 121.700 119.154 2.546 19438 1166 1 2 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.217 0.314 19438 1167 1 2 . 1 1 62 62 GLU C C 62 177.690 177.690 177.749 -0.059 19438 1168 1 2 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.360 -0.810 19438 1169 1 2 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.375 0.925 19438 1170 1 2 . 1 1 62 62 GLU H H 62 9.337 9.337 8.318 1.019 19438 1171 1 2 . 1 1 63 63 ASP N N 63 120.760 120.760 119.354 1.406 19438 1172 1 2 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.366 -0.036 19438 1173 1 2 . 1 1 63 63 ASP C C 63 178.080 178.080 177.320 0.760 19438 1174 1 2 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.984 -0.054 19438 1175 1 2 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.421 0.349 19438 1176 1 2 . 1 1 63 63 ASP H H 63 8.632 8.632 8.862 -0.230 19438 1177 1 2 . 1 1 64 64 CYS N N 64 113.520 113.520 116.190 -2.670 19438 1178 1 2 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.537 -0.105 19438 1179 1 2 . 1 1 64 64 CYS C C 64 173.700 173.700 175.465 -1.765 19438 1180 1 2 . 1 1 64 64 CYS CA C 64 57.170 57.170 58.481 -1.311 19438 1181 1 2 . 1 1 64 64 CYS CB C 64 41.210 41.210 26.950 14.260 19438 1182 1 2 . 1 1 64 64 CYS H H 64 7.962 7.962 8.228 -0.266 19438 1183 1 2 . 1 1 65 65 ASP N N 65 120.200 120.200 120.515 -0.315 19438 1184 1 2 . 1 1 65 65 ASP HA H 65 5.190 5.190 4.850 0.340 19438 1185 1 2 . 1 1 65 65 ASP C C 65 176.540 176.540 176.322 0.218 19438 1186 1 2 . 1 1 65 65 ASP CA C 65 54.310 54.310 54.401 -0.090 19438 1187 1 2 . 1 1 65 65 ASP CB C 65 41.150 41.150 43.335 -2.185 19438 1188 1 2 . 1 1 65 65 ASP H H 65 7.936 7.936 7.956 -0.020 19438 1189 1 2 . 1 1 66 66 VAL N N 66 122.070 122.070 119.231 2.839 19438 1190 1 2 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.253 0.014 19438 1191 1 2 . 1 1 66 66 VAL C C 66 176.000 176.000 175.785 0.215 19438 1192 1 2 . 1 1 66 66 VAL CA C 66 63.190 63.190 62.358 0.832 19438 1193 1 2 . 1 1 66 66 VAL CB C 66 32.430 32.430 33.790 -1.360 19438 1194 1 2 . 1 1 66 66 VAL H H 66 9.431 9.431 8.763 0.668 19438 1195 1 2 . 1 1 67 67 LEU N N 67 119.700 119.700 119.879 -0.179 19438 1196 1 2 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.627 0.012 19438 1197 1 2 . 1 1 67 67 LEU C C 67 174.400 174.400 173.671 0.729 19438 1198 1 2 . 1 1 67 67 LEU CA C 67 55.100 55.100 55.526 -0.426 19438 1199 1 2 . 1 1 67 67 LEU CB C 67 46.020 46.020 45.734 0.286 19438 1200 1 2 . 1 1 67 67 LEU H H 67 7.625 7.625 8.645 -1.020 19438 1201 1 2 . 1 1 68 68 TYR N N 68 126.330 126.330 127.274 -0.944 19438 1202 1 2 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.551 0.299 19438 1203 1 2 . 1 1 68 68 TYR C C 68 173.460 173.460 173.327 0.133 19438 1204 1 2 . 1 1 68 68 TYR CA C 68 54.660 54.660 55.822 -1.162 19438 1205 1 2 . 1 1 68 68 TYR CB C 68 38.140 38.140 42.432 -4.292 19438 1206 1 2 . 1 1 68 68 TYR H H 68 9.086 9.086 8.488 0.598 19438 1207 1 2 . 1 1 69 69 ARG N N 69 127.440 127.440 124.655 2.785 19438 1208 1 2 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.326 -0.466 19438 1209 1 2 . 1 1 69 69 ARG C C 69 173.030 173.030 174.099 -1.069 19438 1210 1 2 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.286 0.144 19438 1211 1 2 . 1 1 69 69 ARG CB C 69 35.030 35.030 34.324 0.706 19438 1212 1 2 . 1 1 69 69 ARG H H 69 9.569 9.569 9.474 0.095 19438 1213 1 2 . 1 1 70 70 LYS N N 70 122.850 122.850 121.586 1.264 19438 1214 1 2 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.346 -0.341 19438 1215 1 2 . 1 1 70 70 LYS C C 70 175.830 175.830 174.923 0.907 19438 1216 1 2 . 1 1 70 70 LYS CA C 70 54.690 54.690 54.376 0.314 19438 1217 1 2 . 1 1 70 70 LYS CB C 70 36.040 36.040 35.170 0.870 19438 1218 1 2 . 1 1 70 70 LYS H H 70 8.612 8.612 9.040 -0.428 19438 1219 1 2 . 1 1 71 71 TYR N N 71 129.420 129.420 125.551 3.869 19438 1220 1 2 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.172 0.130 19438 1221 1 2 . 1 1 71 71 TYR C C 71 175.710 175.710 176.123 -0.413 19438 1222 1 2 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.864 0.096 19438 1223 1 2 . 1 1 71 71 TYR CB C 71 40.330 40.330 39.424 0.906 19438 1224 1 2 . 1 1 71 71 TYR H H 71 9.762 9.762 9.297 0.465 19438 1225 1 2 . 1 1 72 72 THR N N 72 119.820 119.820 122.970 -3.150 19438 1226 1 2 . 1 1 72 72 THR HA H 72 4.707 4.707 4.617 0.090 19438 1227 1 2 . 1 1 72 72 THR C C 72 173.860 173.860 173.403 0.457 19438 1228 1 2 . 1 1 72 72 THR CA C 72 63.250 63.250 62.909 0.341 19438 1229 1 2 . 1 1 72 72 THR CB C 72 69.370 69.370 69.167 0.203 19438 1230 1 2 . 1 1 72 72 THR H H 72 8.845 8.845 9.323 -0.478 19438 1231 1 2 . 1 1 73 73 LEU N N 73 125.420 125.420 127.929 -2.509 19438 1232 1 2 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.433 -0.304 19438 1233 1 2 . 1 1 73 73 LEU C C 73 175.760 175.760 175.437 0.323 19438 1234 1 2 . 1 1 73 73 LEU CA C 73 54.080 54.080 52.885 1.195 19438 1235 1 2 . 1 1 73 73 LEU CB C 73 45.350 45.350 44.027 1.323 19438 1236 1 2 . 1 1 73 73 LEU H H 73 8.929 8.929 9.435 -0.506 19438 1237 1 2 . 1 1 74 74 GLU N N 74 120.090 120.090 122.016 -1.926 19438 1238 1 2 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.313 -0.099 19438 1239 1 2 . 1 1 74 74 GLU C C 74 175.400 175.400 175.412 -0.012 19438 1240 1 2 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.703 0.037 19438 1241 1 2 . 1 1 74 74 GLU CB C 74 33.040 33.040 32.877 0.164 19438 1242 1 2 . 1 1 74 74 GLU H H 74 8.311 8.311 8.757 -0.446 19438 1243 1 2 . 1 1 75 75 LYS N N 75 124.230 124.230 128.112 -3.882 19438 1244 1 2 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.610 -0.137 19438 1245 1 2 . 1 1 75 75 LYS C C 75 175.380 175.380 176.257 -0.877 19438 1246 1 2 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.499 2.561 19438 1247 1 2 . 1 1 75 75 LYS CB C 75 35.740 35.740 32.498 3.242 19438 1248 1 2 . 1 1 75 75 LYS H H 75 8.691 8.691 8.858 -0.167 19438 1249 1 2 . 1 1 76 76 GLU N N 76 127.760 127.760 126.993 0.767 19438 1250 1 2 . 1 1 76 76 GLU HA H 76 3.903 3.903 3.992 -0.089 19438 1251 1 2 . 1 1 76 76 GLU C C 76 176.190 176.190 176.311 -0.121 19438 1252 1 2 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.306 0.144 19438 1253 1 2 . 1 1 76 76 GLU CB C 76 27.830 27.830 28.263 -0.433 19438 1254 1 2 . 1 1 76 76 GLU H H 76 9.556 9.556 8.924 0.632 19438 1255 1 2 . 1 1 77 77 GLY N N 77 106.560 106.560 107.600 -1.040 19438 1256 1 2 . 1 1 77 77 GLY C C 77 174.320 174.320 174.346 -0.026 19438 1257 1 2 . 1 1 77 77 GLY CA C 77 45.640 45.640 45.161 0.478 19438 1258 1 2 . 1 1 77 77 GLY H H 77 8.928 8.928 8.608 0.320 19438 1259 1 2 . 1 1 78 78 LYS N N 78 121.600 121.600 124.706 -3.106 19438 1260 1 2 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.422 0.163 19438 1261 1 2 . 1 1 78 78 LYS C C 78 175.240 175.240 175.521 -0.281 19438 1262 1 2 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.774 -0.394 19438 1263 1 2 . 1 1 78 78 LYS CB C 78 33.490 33.490 32.411 1.079 19438 1264 1 2 . 1 1 78 78 LYS H H 78 8.015 8.015 7.624 0.391 19438 1265 1 2 . 1 1 79 79 LYS N N 79 120.990 120.990 124.349 -3.359 19438 1266 1 2 . 1 1 79 79 LYS HA H 79 5.199 5.199 4.700 0.499 19438 1267 1 2 . 1 1 79 79 LYS C C 79 176.150 176.150 175.482 0.668 19438 1268 1 2 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.817 0.253 19438 1269 1 2 . 1 1 79 79 LYS CB C 79 35.080 35.080 34.250 0.830 19438 1270 1 2 . 1 1 79 79 LYS H H 79 8.438 8.438 8.093 0.345 19438 1271 1 2 . 1 1 80 80 GLY N N 80 107.840 107.840 109.270 -1.430 19438 1272 1 2 . 1 1 80 80 GLY C C 80 170.430 170.430 171.656 -1.226 19438 1273 1 2 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.308 -0.048 19438 1274 1 2 . 1 1 80 80 GLY H H 80 8.391 8.391 8.557 -0.166 19438 1275 1 2 . 1 1 81 81 ILE N N 81 120.670 120.670 118.853 1.817 19438 1276 1 2 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.228 0.054 19438 1277 1 2 . 1 1 81 81 ILE C C 81 175.210 175.210 174.311 0.899 19438 1278 1 2 . 1 1 81 81 ILE CA C 81 58.640 58.640 59.718 -1.078 19438 1279 1 2 . 1 1 81 81 ILE CB C 81 42.420 42.420 42.699 -0.279 19438 1280 1 2 . 1 1 81 81 ILE H H 81 8.623 8.623 9.072 -0.449 19438 1281 1 2 . 1 1 82 82 VAL N N 82 121.970 121.970 125.952 -3.982 19438 1282 1 2 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.508 0.206 19438 1283 1 2 . 1 1 82 82 VAL C C 82 174.230 174.230 174.884 -0.654 19438 1284 1 2 . 1 1 82 82 VAL CA C 82 61.010 61.010 61.292 -0.282 19438 1285 1 2 . 1 1 82 82 VAL CB C 82 35.260 35.260 32.774 2.486 19438 1286 1 2 . 1 1 82 82 VAL H H 82 8.967 8.967 9.037 -0.070 19438 1287 1 2 . 1 1 83 83 HIS N N 83 129.690 129.690 128.532 1.158 19438 1288 1 2 . 1 1 83 83 HIS HA H 83 5.219 5.219 5.348 -0.129 19438 1289 1 2 . 1 1 83 83 HIS C C 83 174.960 174.960 174.471 0.489 19438 1290 1 2 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.786 0.653 19438 1291 1 2 . 1 1 83 83 HIS CB C 83 32.240 32.240 30.158 2.082 19438 1292 1 2 . 1 1 83 83 HIS H H 83 8.960 8.960 9.411 -0.451 19438 1293 1 2 . 1 1 84 84 VAL N N 84 125.620 125.620 127.592 -1.972 19438 1294 1 2 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.458 0.668 19438 1295 1 2 . 1 1 84 84 VAL C C 84 174.590 174.590 174.327 0.263 19438 1296 1 2 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.930 0.300 19438 1297 1 2 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.101 1.919 19438 1298 1 2 . 1 1 84 84 VAL H H 84 9.834 9.834 9.268 0.566 19438 1299 1 2 . 1 1 85 85 LYS N N 85 125.370 125.370 126.299 -0.929 19438 1300 1 2 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.332 0.132 19438 1301 1 2 . 1 1 85 85 LYS C C 85 174.890 174.890 174.897 -0.007 19438 1302 1 2 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.504 0.706 19438 1303 1 2 . 1 1 85 85 LYS CB C 85 36.430 36.430 35.797 0.633 19438 1304 1 2 . 1 1 85 85 LYS H H 85 9.517 9.517 9.131 0.386 19438 1305 1 2 . 1 1 86 86 LEU N N 86 123.830 123.830 125.541 -1.711 19438 1306 1 2 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.902 0.245 19438 1307 1 2 . 1 1 86 86 LEU C C 86 174.760 174.760 175.899 -1.139 19438 1308 1 2 . 1 1 86 86 LEU CA C 86 54.210 54.210 53.678 0.532 19438 1309 1 2 . 1 1 86 86 LEU CB C 86 44.830 44.830 43.035 1.795 19438 1310 1 2 . 1 1 86 86 LEU H H 86 8.400 8.400 9.013 -0.613 19438 1311 1 2 . 1 1 87 87 ARG N N 87 128.610 128.610 123.920 4.690 19438 1312 1 2 . 1 1 87 87 ARG HA H 87 5.473 5.473 4.719 0.754 19438 1313 1 2 . 1 1 87 87 ARG C C 87 176.130 176.130 175.802 0.328 19438 1314 1 2 . 1 1 87 87 ARG CA C 87 54.970 54.970 53.423 1.547 19438 1315 1 2 . 1 1 87 87 ARG CB C 87 34.230 34.230 31.858 2.372 19438 1316 1 2 . 1 1 87 87 ARG H H 87 9.647 9.647 9.350 0.297 19438 1317 1 2 . 1 1 88 88 LYS N N 88 122.810 122.810 123.322 -0.512 19438 1318 1 2 . 1 1 88 88 LYS HA H 88 4.138 4.138 4.315 -0.177 19438 1319 1 2 . 1 1 88 88 LYS C C 88 174.890 174.890 175.410 -0.520 19438 1320 1 2 . 1 1 88 88 LYS CA C 88 56.330 56.330 54.703 1.627 19438 1321 1 2 . 1 1 88 88 LYS CB C 88 34.310 34.310 32.037 2.273 19438 1322 1 2 . 1 1 88 88 LYS H H 88 8.510 8.510 8.133 0.377 19438 1323 1 2 . 1 1 89 89 ILE N N 89 120.880 120.880 129.102 -8.222 19438 1324 1 2 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.312 0.319 19438 1325 1 2 . 1 1 89 89 ILE C C 89 176.400 176.400 174.796 1.604 19438 1326 1 2 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.679 -1.009 19438 1327 1 2 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.573 -0.853 19438 1328 1 2 . 1 1 89 89 ILE H H 89 7.470 7.470 8.323 -0.853 19438 1329 1 2 . 1 1 90 90 THR N N 90 116.610 116.610 122.138 -5.528 19438 1330 1 2 . 1 1 90 90 THR HA H 90 4.700 4.700 4.497 0.203 19438 1331 1 2 . 1 1 90 90 THR CA C 90 59.100 59.100 60.659 -1.559 19438 1332 1 2 . 1 1 90 90 THR CB C 90 72.600 72.600 70.664 1.936 19438 1333 1 2 . 1 1 90 90 THR H H 90 7.701 7.701 8.410 -0.709 19438 1334 1 2 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.128 -0.098 19438 1335 1 2 . 1 1 91 91 GLU C C 91 177.100 177.100 177.306 -0.206 19438 1336 1 2 . 1 1 91 91 GLU CA C 91 59.640 59.640 58.519 1.121 19438 1337 1 2 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.587 -0.537 19438 1338 1 2 . 1 1 92 92 ASN N N 92 113.650 113.650 114.888 -1.238 19438 1339 1 2 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.716 -0.016 19438 1340 1 2 . 1 1 92 92 ASN C C 92 174.100 174.100 174.947 -0.847 19438 1341 1 2 . 1 1 92 92 ASN CA C 92 53.490 53.490 53.716 -0.226 19438 1342 1 2 . 1 1 92 92 ASN CB C 92 39.270 39.270 39.387 -0.117 19438 1343 1 2 . 1 1 92 92 ASN H H 92 7.915 7.915 8.346 -0.431 19438 1344 1 2 . 1 1 93 93 CYS N N 93 120.190 120.190 120.118 0.072 19438 1345 1 2 . 1 1 93 93 CYS HA H 93 5.076 5.076 5.012 0.064 19438 1346 1 2 . 1 1 93 93 CYS CA C 93 52.610 52.610 55.929 -3.320 19438 1347 1 2 . 1 1 93 93 CYS CB C 93 42.090 42.090 29.141 12.949 19438 1348 1 2 . 1 1 93 93 CYS H H 93 7.514 7.514 7.765 -0.251 19438 1349 1 2 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.724 0.066 19438 1350 1 2 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.597 -0.097 19438 1351 1 2 . 1 1 95 95 PRO C C 95 177.770 177.770 176.341 1.429 19438 1352 1 2 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.648 0.092 19438 1353 1 2 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.059 0.041 19438 1354 1 2 . 1 1 96 96 VAL N N 96 123.600 123.600 121.864 1.736 19438 1355 1 2 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.137 -0.190 19438 1356 1 2 . 1 1 96 96 VAL C C 96 175.780 175.780 175.776 0.004 19438 1357 1 2 . 1 1 96 96 VAL CA C 96 62.100 62.100 61.364 0.736 19438 1358 1 2 . 1 1 96 96 VAL CB C 96 32.580 32.580 32.518 0.062 19438 1359 1 2 . 1 1 96 96 VAL H H 96 9.071 9.071 9.028 0.043 19438 1360 1 2 . 1 1 97 97 ASP N N 97 125.400 125.400 122.210 3.190 19438 1361 1 2 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.663 0.007 19438 1362 1 2 . 1 1 97 97 ASP C C 97 175.410 175.410 175.479 -0.069 19438 1363 1 2 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.481 0.529 19438 1364 1 2 . 1 1 97 97 ASP CB C 97 41.580 41.580 41.996 -0.416 19438 1365 1 2 . 1 1 97 97 ASP H H 97 8.313 8.313 8.287 0.026 19438 1366 1 2 . 1 1 98 98 GLY N N 98 108.310 108.310 110.538 -2.228 19438 1367 1 2 . 1 1 98 98 GLY C C 98 173.140 173.140 172.917 0.223 19438 1368 1 2 . 1 1 98 98 GLY CA C 98 45.270 45.270 45.117 0.153 19438 1369 1 2 . 1 1 98 98 GLY H H 98 7.838 7.838 8.186 -0.348 19438 1370 1 2 . 1 1 99 99 ASN N N 99 120.050 120.050 120.276 -0.226 19438 1371 1 2 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.691 0.491 19438 1372 1 2 . 1 1 99 99 ASN C C 99 174.700 174.700 174.969 -0.269 19438 1373 1 2 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.510 -0.390 19438 1374 1 2 . 1 1 99 99 ASN CB C 99 39.360 39.360 39.486 -0.126 19438 1375 1 2 . 1 1 99 99 ASN H H 99 8.685 8.685 8.593 0.092 19438 1376 1 2 . 1 1 100 100 ARG N N 100 121.100 121.100 123.991 -2.891 19438 1377 1 2 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.438 0.471 19438 1378 1 2 . 1 1 100 100 ARG C C 100 176.930 176.930 175.746 1.184 19438 1379 1 2 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.709 0.101 19438 1380 1 2 . 1 1 100 100 ARG CB C 100 31.710 31.710 29.918 1.792 19438 1381 1 2 . 1 1 100 100 ARG H H 100 8.502 8.502 8.475 0.027 19438 1382 1 2 . 1 1 101 101 CYS N N 101 121.180 121.180 125.204 -4.024 19438 1383 1 2 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.374 0.332 19438 1384 1 2 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.336 -3.066 19438 1385 1 2 . 1 1 101 101 CYS H H 101 8.607 8.607 8.471 0.136 19438 1386 1 2 . 1 1 102 102 SER HA H 102 4.565 4.565 4.464 0.101 19438 1387 1 2 . 1 1 102 102 SER C C 102 174.220 174.220 173.263 0.957 19438 1388 1 2 . 1 1 102 102 SER CA C 102 57.900 57.900 58.634 -0.734 19438 1389 1 2 . 1 1 102 102 SER CB C 102 63.700 63.700 62.247 1.453 19438 1390 1 2 . 1 1 103 103 VAL N N 103 122.910 122.910 125.858 -2.948 19438 1391 1 2 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.832 -0.610 19438 1392 1 2 . 1 1 103 103 VAL C C 103 175.070 175.070 175.279 -0.209 19438 1393 1 2 . 1 1 103 103 VAL CA C 103 62.440 62.440 60.932 1.508 19438 1394 1 2 . 1 1 103 103 VAL H H 103 8.332 8.332 8.380 -0.048 19438 1395 1 2 . 1 1 104 104 LEU N N 104 125.940 125.940 127.201 -1.261 19438 1396 1 2 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.893 -0.480 19438 1397 1 2 . 1 1 104 104 LEU C C 104 177.220 177.220 175.475 1.745 19438 1398 1 2 . 1 1 104 104 LEU CA C 104 55.930 55.930 55.457 0.473 19438 1399 1 2 . 1 1 104 104 LEU CB C 104 42.890 42.890 44.614 -1.724 19438 1400 1 2 . 1 1 104 104 LEU H H 104 8.831 8.831 9.812 -0.981 19438 1401 1 2 . 1 1 105 105 GLU N N 105 120.540 120.540 116.866 3.674 19438 1402 1 2 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.534 -0.123 19438 1403 1 2 . 1 1 105 105 GLU C C 105 175.400 175.400 176.167 -0.767 19438 1404 1 2 . 1 1 105 105 GLU CA C 105 55.890 55.890 55.284 0.606 19438 1405 1 2 . 1 1 105 105 GLU CB C 105 30.460 30.460 32.141 -1.681 19438 1406 1 2 . 1 1 105 105 GLU H H 105 8.070 8.070 7.603 0.467 19438 1407 1 2 . 1 1 106 106 PHE N N 106 124.060 124.060 123.590 0.470 19438 1408 1 2 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.091 -0.030 19438 1409 1 2 . 1 1 106 106 PHE C C 106 175.880 175.880 176.297 -0.417 19438 1410 1 2 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.797 0.323 19438 1411 1 2 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.290 0.380 19438 1412 1 2 . 1 1 106 106 PHE H H 106 8.666 8.666 9.055 -0.389 19438 1413 1 2 . 1 1 107 107 GLU N N 107 117.290 117.290 117.145 0.145 19438 1414 1 2 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.579 0.307 19438 1415 1 2 . 1 1 107 107 GLU C C 107 178.050 178.050 178.834 -0.784 19438 1416 1 2 . 1 1 107 107 GLU CA C 107 59.360 59.360 58.919 0.442 19438 1417 1 2 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.098 0.232 19438 1418 1 2 . 1 1 107 107 GLU H H 107 8.932 8.932 8.563 0.369 19438 1419 1 2 . 1 1 108 108 ARG N N 108 117.240 117.240 119.487 -2.247 19438 1420 1 2 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.225 0.083 19438 1421 1 2 . 1 1 108 108 ARG C C 108 177.930 177.930 178.120 -0.190 19438 1422 1 2 . 1 1 108 108 ARG CA C 108 57.120 57.120 58.034 -0.914 19438 1423 1 2 . 1 1 108 108 ARG CB C 108 31.110 31.110 30.066 1.044 19438 1424 1 2 . 1 1 108 108 ARG H H 108 7.533 7.533 8.130 -0.597 19438 1425 1 2 . 1 1 109 109 ASP N N 109 120.040 120.040 121.868 -1.828 19438 1426 1 2 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.603 -0.003 19438 1427 1 2 . 1 1 109 109 ASP C C 109 177.980 177.980 178.765 -0.785 19438 1428 1 2 . 1 1 109 109 ASP CA C 109 56.810 56.810 57.445 -0.635 19438 1429 1 2 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.549 0.951 19438 1430 1 2 . 1 1 109 109 ASP H H 109 8.295 8.295 8.079 0.216 19438 1431 1 2 . 1 1 110 110 ILE N N 110 118.710 118.710 119.606 -0.896 19438 1432 1 2 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.679 0.115 19438 1433 1 2 . 1 1 110 110 ILE C C 110 176.740 176.740 176.877 -0.137 19438 1434 1 2 . 1 1 110 110 ILE CA C 110 61.850 61.850 64.039 -2.189 19438 1435 1 2 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.843 -0.812 19438 1436 1 2 . 1 1 110 110 ILE H H 110 8.081 8.081 8.354 -0.273 19438 1437 1 2 . 1 1 111 111 GLU N N 111 121.140 121.140 120.871 0.269 19438 1438 1 2 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.957 0.005 19438 1439 1 2 . 1 1 111 111 GLU C C 111 177.400 177.400 178.416 -1.016 19438 1440 1 2 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.421 0.179 19438 1441 1 2 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.095 0.205 19438 1442 1 2 . 1 1 111 111 GLU H H 111 7.558 7.558 7.652 -0.094 19438 1443 1 2 . 1 1 112 112 CYS N N 112 117.380 117.380 119.228 -1.848 19438 1444 1 2 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.252 -0.149 19438 1445 1 2 . 1 1 112 112 CYS C C 112 176.570 176.570 177.379 -0.809 19438 1446 1 2 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.255 -2.965 19438 1447 1 2 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.311 15.599 19438 1448 1 2 . 1 1 112 112 CYS H H 112 7.739 7.739 7.870 -0.131 19438 1449 1 2 . 1 1 113 113 ILE N N 113 118.520 118.520 121.321 -2.801 19438 1450 1 2 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.710 0.123 19438 1451 1 2 . 1 1 113 113 ILE C C 113 177.220 177.220 178.170 -0.950 19438 1452 1 2 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.743 -0.333 19438 1453 1 2 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.591 0.839 19438 1454 1 2 . 1 1 113 113 ILE H H 113 7.682 7.682 8.316 -0.634 19438 1455 1 2 . 1 1 114 114 VAL N N 114 120.390 120.390 120.012 0.378 19438 1456 1 2 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.600 -0.132 19438 1457 1 2 . 1 1 114 114 VAL C C 114 177.970 177.970 177.707 0.263 19438 1458 1 2 . 1 1 114 114 VAL CA C 114 67.960 67.960 67.154 0.806 19438 1459 1 2 . 1 1 114 114 VAL CB C 114 31.730 31.730 31.319 0.411 19438 1460 1 2 . 1 1 114 114 VAL H H 114 7.765 7.765 8.260 -0.495 19438 1461 1 2 . 1 1 115 115 LYS N N 115 118.840 118.840 120.654 -1.814 19438 1462 1 2 . 1 1 115 115 LYS HA H 115 4.129 4.129 3.975 0.154 19438 1463 1 2 . 1 1 115 115 LYS C C 115 178.870 178.870 178.457 0.413 19438 1464 1 2 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.808 -0.508 19438 1465 1 2 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.322 -0.412 19438 1466 1 2 . 1 1 115 115 LYS H H 115 8.314 8.314 8.283 0.031 19438 1467 1 2 . 1 1 116 116 ALA N N 116 121.000 121.000 122.114 -1.114 19438 1468 1 2 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.121 0.105 19438 1469 1 2 . 1 1 116 116 ALA C C 116 181.600 181.600 179.856 1.744 19438 1470 1 2 . 1 1 116 116 ALA CA C 116 55.320 55.320 55.007 0.313 19438 1471 1 2 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.191 0.459 19438 1472 1 2 . 1 1 116 116 ALA H H 116 7.427 7.427 7.740 -0.313 19438 1473 1 2 . 1 1 117 117 ILE N N 117 120.090 120.090 118.992 1.098 19438 1474 1 2 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.476 -0.163 19438 1475 1 2 . 1 1 117 117 ILE C C 117 177.630 177.630 177.825 -0.195 19438 1476 1 2 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.809 0.701 19438 1477 1 2 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.599 0.261 19438 1478 1 2 . 1 1 117 117 ILE H H 117 8.121 8.121 8.083 0.038 19438 1479 1 2 . 1 1 118 118 GLU N N 118 119.300 119.300 119.026 0.274 19438 1480 1 2 . 1 1 118 118 GLU HA H 118 3.886 3.886 4.072 -0.186 19438 1481 1 2 . 1 1 118 118 GLU C C 118 179.850 179.850 179.252 0.598 19438 1482 1 2 . 1 1 118 118 GLU CA C 118 60.760 60.760 59.712 1.048 19438 1483 1 2 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.150 0.500 19438 1484 1 2 . 1 1 118 118 GLU H H 118 8.657 8.657 8.500 0.157 19438 1485 1 2 . 1 1 119 119 GLU N N 119 119.080 119.080 119.853 -0.773 19438 1486 1 2 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.155 -0.087 19438 1487 1 2 . 1 1 119 119 GLU C C 119 178.670 178.670 178.818 -0.148 19438 1488 1 2 . 1 1 119 119 GLU CA C 119 59.390 59.390 59.170 0.219 19438 1489 1 2 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.919 -0.199 19438 1490 1 2 . 1 1 119 119 GLU H H 119 8.596 8.596 8.225 0.371 19438 1491 1 2 . 1 1 120 120 CYS N N 120 117.950 117.950 120.128 -2.178 19438 1492 1 2 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.410 0.032 19438 1493 1 2 . 1 1 120 120 CYS C C 120 177.280 177.280 177.395 -0.115 19438 1494 1 2 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.809 -4.329 19438 1495 1 2 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.269 13.151 19438 1496 1 2 . 1 1 120 120 CYS H H 120 7.686 7.686 8.206 -0.520 19438 1497 1 2 . 1 1 121 121 LEU N N 121 118.000 118.000 119.335 -1.335 19438 1498 1 2 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.323 -0.302 19438 1499 1 2 . 1 1 121 121 LEU C C 121 179.010 179.010 178.598 0.412 19438 1500 1 2 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.097 0.573 19438 1501 1 2 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.511 -0.131 19438 1502 1 2 . 1 1 121 121 LEU H H 121 8.194 8.194 8.410 -0.216 19438 1503 1 2 . 1 1 122 122 ALA N N 122 119.940 119.940 121.675 -1.735 19438 1504 1 2 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.226 -0.000 19438 1505 1 2 . 1 1 122 122 ALA C C 122 179.040 179.040 179.230 -0.190 19438 1506 1 2 . 1 1 122 122 ALA CA C 122 54.160 54.160 54.399 -0.239 19438 1507 1 2 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.564 0.317 19438 1508 1 2 . 1 1 122 122 ALA H H 122 7.974 7.974 7.685 0.289 19438 1509 1 2 . 1 1 123 123 LYS N N 123 117.940 117.940 117.643 0.297 19438 1510 1 2 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.145 0.046 19438 1511 1 2 . 1 1 123 123 LYS C C 123 177.770 177.770 177.544 0.226 19438 1512 1 2 . 1 1 123 123 LYS CA C 123 57.710 57.710 57.300 0.410 19438 1513 1 2 . 1 1 123 123 LYS CB C 123 32.570 32.570 33.066 -0.496 19438 1514 1 2 . 1 1 123 123 LYS H H 123 7.774 7.774 7.991 -0.217 19438 1515 1 2 . 1 1 124 124 GLY N N 124 107.510 107.510 107.607 -0.097 19438 1516 1 2 . 1 1 124 124 GLY C C 124 174.290 174.290 175.021 -0.731 19438 1517 1 2 . 1 1 124 124 GLY CA C 124 46.060 46.060 45.623 0.437 19438 1518 1 2 . 1 1 124 124 GLY H H 124 8.084 8.084 8.341 -0.257 19438 1519 1 2 . 1 1 125 125 GLU N N 125 120.170 120.170 123.390 -3.220 19438 1520 1 2 . 1 1 125 125 GLU HA H 125 4.318 4.318 3.793 0.525 19438 1521 1 2 . 1 1 125 125 GLU C C 125 176.940 176.940 174.758 2.182 19438 1522 1 2 . 1 1 125 125 GLU CA C 125 56.780 56.780 55.901 0.879 19438 1523 1 2 . 1 1 125 125 GLU CB C 125 30.760 30.760 26.724 4.036 19438 1524 1 2 . 1 1 125 125 GLU H H 125 7.997 7.997 8.538 -0.541 19438 1525 1 2 . 1 1 126 126 LEU N N 126 122.210 122.210 120.380 1.830 19438 1526 1 2 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.387 -0.077 19438 1527 1 2 . 1 1 126 126 LEU C C 126 177.320 177.320 174.919 2.401 19438 1528 1 2 . 1 1 126 126 LEU CA C 126 55.940 55.940 54.716 1.224 19438 1529 1 2 . 1 1 126 126 LEU CB C 126 42.540 42.540 43.302 -0.762 19438 1530 1 2 . 1 1 126 126 LEU H H 126 8.218 8.218 7.932 0.286 19438 1531 1 2 . 1 1 127 127 ASN N N 127 119.250 119.250 121.039 -1.789 19438 1532 1 2 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.731 -0.037 19438 1533 1 2 . 1 1 127 127 ASN C C 127 175.720 175.720 173.500 2.220 19438 1534 1 2 . 1 1 127 127 ASN CA C 127 53.930 53.930 53.684 0.246 19438 1535 1 2 . 1 1 127 127 ASN CB C 127 38.970 38.970 40.260 -1.290 19438 1536 1 2 . 1 1 127 127 ASN H H 127 8.445 8.445 8.559 -0.114 19438 1537 1 2 . 1 1 128 128 SER N N 128 116.060 116.060 119.830 -3.770 19438 1538 1 2 . 1 1 128 128 SER HA H 128 4.373 4.373 4.850 -0.477 19438 1539 1 2 . 1 1 128 128 SER C C 128 174.830 174.830 174.145 0.685 19438 1540 1 2 . 1 1 128 128 SER CA C 128 59.120 59.120 58.891 0.229 19438 1541 1 2 . 1 1 128 128 SER CB C 128 63.830 63.830 63.526 0.304 19438 1542 1 2 . 1 1 128 128 SER H H 128 8.182 8.182 8.559 -0.377 19438 1543 1 2 . 1 1 129 129 LYS N N 129 122.520 122.520 127.167 -4.647 19438 1544 1 2 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.467 -0.109 19438 1545 1 2 . 1 1 129 129 LYS C C 129 176.750 176.750 174.999 1.751 19438 1546 1 2 . 1 1 129 129 LYS CA C 129 56.710 56.710 56.255 0.455 19438 1547 1 2 . 1 1 129 129 LYS CB C 129 32.760 32.760 32.567 0.193 19438 1548 1 2 . 1 1 129 129 LYS H H 129 8.154 8.154 9.180 -1.026 19438 1549 1 2 . 1 1 130 130 LEU N N 130 122.340 122.340 122.173 0.167 19438 1550 1 2 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.118 0.210 19438 1551 1 2 . 1 1 130 130 LEU C C 130 177.430 177.430 175.558 1.872 19438 1552 1 2 . 1 1 130 130 LEU CA C 130 57.430 57.430 55.887 1.543 19438 1553 1 2 . 1 1 130 130 LEU CB C 130 42.380 42.380 41.971 0.409 19438 1554 1 2 . 1 1 130 130 LEU H H 130 8.070 8.070 8.584 -0.514 19438 1555 1 2 . 1 1 131 131 GLU N N 131 121.450 121.450 126.168 -4.718 19438 1556 1 2 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.492 -0.197 19438 1557 1 2 . 1 1 131 131 GLU C C 131 176.920 176.920 175.851 1.069 19438 1558 1 2 . 1 1 131 131 GLU CA C 131 56.690 56.690 56.221 0.469 19438 1559 1 2 . 1 1 131 131 GLU CB C 131 30.380 30.380 30.001 0.379 19438 1560 1 2 . 1 1 131 131 GLU H H 131 8.250 8.250 8.483 -0.233 19438 1561 1 2 . 1 1 132 132 GLY N N 132 109.900 109.900 112.646 -2.746 19438 1562 1 2 . 1 1 132 132 GLY C C 132 173.770 173.770 173.267 0.503 19438 1563 1 2 . 1 1 132 132 GLY CA C 132 45.290 45.290 45.717 -0.427 19438 1564 1 2 . 1 1 132 132 GLY H H 132 8.334 8.334 8.403 -0.069 19438 1565 1 2 . 1 1 133 133 LYS N N 133 121.920 121.920 121.504 0.416 19438 1566 1 2 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.648 0.016 19438 1567 1 2 . 1 1 133 133 LYS CA C 133 54.150 54.150 54.576 -0.426 19438 1568 1 2 . 1 1 133 133 LYS CB C 133 32.710 32.710 34.609 -1.899 19438 1569 1 2 . 1 1 133 133 LYS H H 133 8.037 8.037 8.801 -0.764 19438 1570 1 2 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.626 -0.175 19438 1571 1 2 . 1 1 134 134 PRO C C 134 176.670 176.670 175.937 0.733 19438 1572 1 2 . 1 1 134 134 PRO CA C 134 62.940 62.940 62.967 -0.027 19438 1573 1 2 . 1 1 134 134 PRO CB C 134 31.890 31.890 32.006 -0.116 19438 1574 1 2 . 1 1 135 135 ILE N N 135 122.710 122.710 126.019 -3.309 19438 1575 1 2 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.466 -0.038 19438 1576 1 2 . 1 1 135 135 ILE CA C 135 58.770 58.770 57.503 1.267 19438 1577 1 2 . 1 1 135 135 ILE CB C 135 38.640 38.640 39.202 -0.562 19438 1578 1 2 . 1 1 135 135 ILE H H 135 8.227 8.227 8.326 -0.099 19438 1579 1 2 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.578 -0.206 19438 1580 1 2 . 1 1 136 136 PRO C C 136 176.330 176.330 175.402 0.928 19438 1581 1 2 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.280 0.970 19438 1582 1 2 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.538 -0.528 19438 1583 1 2 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.991 -0.050 19438 1584 1 2 . 1 1 137 137 ASN CA C 137 51.270 51.270 51.305 -0.035 19438 1585 1 2 . 1 1 137 137 ASN CB C 137 38.670 38.670 38.448 0.222 19438 1586 1 2 . 1 1 137 137 ASN H H 137 8.383 8.383 8.350 0.033 19438 1587 1 2 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.386 0.018 19438 1588 1 2 . 1 1 138 138 PRO C C 138 177.210 177.210 175.817 1.393 19438 1589 1 2 . 1 1 138 138 PRO CA C 138 63.310 63.310 63.661 -0.351 19438 1590 1 2 . 1 1 138 138 PRO CB C 138 32.100 32.100 32.194 -0.094 19438 1591 1 2 . 1 1 139 139 LEU N N 139 119.860 119.860 120.636 -0.776 19438 1592 1 2 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.566 -0.265 19438 1593 1 2 . 1 1 139 139 LEU C C 139 177.640 177.640 175.439 2.201 19438 1594 1 2 . 1 1 139 139 LEU CA C 139 55.610 55.610 54.320 1.290 19438 1595 1 2 . 1 1 139 139 LEU CB C 139 41.540 41.540 43.075 -1.535 19438 1596 1 2 . 1 1 139 139 LEU H H 139 8.096 8.096 7.517 0.579 19438 1597 1 2 . 1 1 140 140 LEU N N 140 121.040 121.040 128.838 -7.798 19438 1598 1 2 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.500 -0.185 19438 1599 1 2 . 1 1 140 140 LEU C C 140 177.840 177.840 176.648 1.192 19438 1600 1 2 . 1 1 140 140 LEU CA C 140 55.370 55.370 54.282 1.088 19438 1601 1 2 . 1 1 140 140 LEU CB C 140 42.390 42.390 41.646 0.744 19438 1602 1 2 . 1 1 140 140 LEU H H 140 7.749 7.749 8.636 -0.887 19438 1603 1 2 . 1 1 141 141 GLY N N 141 108.960 108.960 112.037 -3.077 19438 1604 1 2 . 1 1 141 141 GLY C C 141 174.380 174.380 172.702 1.678 19438 1605 1 2 . 1 1 141 141 GLY CA C 141 45.650 45.650 44.672 0.978 19438 1606 1 2 . 1 1 141 141 GLY H H 141 8.231 8.231 8.088 0.143 19438 1607 1 2 . 1 1 142 142 LEU N N 142 121.470 121.470 116.129 5.341 19438 1608 1 2 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.878 -0.542 19438 1609 1 2 . 1 1 142 142 LEU C C 142 177.390 177.390 174.956 2.434 19438 1610 1 2 . 1 1 142 142 LEU CA C 142 55.630 55.630 53.859 1.771 19438 1611 1 2 . 1 1 142 142 LEU CB C 142 42.600 42.600 44.269 -1.669 19438 1612 1 2 . 1 1 142 142 LEU H H 142 8.004 8.004 8.164 -0.160 19438 1613 1 2 . 1 1 143 143 ASP N N 143 120.770 120.770 119.238 1.532 19438 1614 1 2 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.826 -0.153 19438 1615 1 2 . 1 1 143 143 ASP C C 143 176.870 176.870 175.085 1.785 19438 1616 1 2 . 1 1 143 143 ASP CA C 143 54.400 54.400 53.285 1.115 19438 1617 1 2 . 1 1 143 143 ASP CB C 143 41.170 41.170 42.282 -1.113 19438 1618 1 2 . 1 1 143 143 ASP H H 143 8.380 8.380 8.396 -0.016 19438 1619 1 2 . 1 1 144 144 SER N N 144 116.820 116.820 114.571 2.249 19438 1620 1 2 . 1 1 144 144 SER HA H 144 4.413 4.413 4.711 -0.298 19438 1621 1 2 . 1 1 144 144 SER C C 144 175.300 175.300 173.091 2.209 19438 1622 1 2 . 1 1 144 144 SER CA C 144 59.190 59.190 58.130 1.060 19438 1623 1 2 . 1 1 144 144 SER CB C 144 63.770 63.770 64.024 -0.254 19438 1624 1 2 . 1 1 144 144 SER H H 144 8.298 8.298 8.398 -0.100 19438 1625 1 2 . 1 1 145 145 THR N N 145 114.870 114.870 118.752 -3.882 19438 1626 1 2 . 1 1 145 145 THR HA H 145 4.419 4.419 4.616 -0.197 19438 1627 1 2 . 1 1 145 145 THR C C 145 175.070 175.070 173.741 1.329 19438 1628 1 2 . 1 1 145 145 THR CA C 145 62.880 62.880 61.870 1.010 19438 1629 1 2 . 1 1 145 145 THR CB C 145 69.710 69.710 70.980 -1.270 19438 1630 1 2 . 1 1 145 145 THR H H 145 8.208 8.208 8.560 -0.352 19438 1631 1 2 . 1 1 146 146 ARG N N 146 122.450 122.450 126.355 -3.905 19438 1632 1 2 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.407 -0.025 19438 1633 1 2 . 1 1 146 146 ARG C C 146 176.570 176.570 176.043 0.527 19438 1634 1 2 . 1 1 146 146 ARG CA C 146 56.350 56.350 55.870 0.480 19438 1635 1 2 . 1 1 146 146 ARG CB C 146 30.620 30.620 30.127 0.494 19438 1636 1 2 . 1 1 146 146 ARG H H 146 8.122 8.122 8.533 -0.411 19438 1637 1 2 . 1 1 147 147 THR N N 147 113.830 113.830 118.063 -4.233 19438 1638 1 2 . 1 1 147 147 THR HA H 147 4.400 4.400 4.154 0.246 19438 1639 1 2 . 1 1 147 147 THR C C 147 175.200 175.200 174.711 0.489 19438 1640 1 2 . 1 1 147 147 THR CA C 147 62.110 62.110 63.083 -0.973 19438 1641 1 2 . 1 1 147 147 THR CB C 147 69.950 69.950 68.002 1.948 19438 1642 1 2 . 1 1 147 147 THR H H 147 8.039 8.039 8.462 -0.423 19438 1643 1 3 . 1 1 2 2 LYS N N 2 124.740 124.740 119.326 5.414 19438 1644 1 3 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.997 -0.187 19438 1645 1 3 . 1 1 2 2 LYS C C 2 173.640 173.640 175.458 -1.818 19438 1646 1 3 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.450 -1.490 19438 1647 1 3 . 1 1 2 2 LYS CB C 2 34.850 34.850 35.434 -0.584 19438 1648 1 3 . 1 1 2 2 LYS H H 2 8.620 8.620 8.590 0.030 19438 1649 1 3 . 1 1 3 3 TYR N N 3 114.840 114.840 119.488 -4.648 19438 1650 1 3 . 1 1 3 3 TYR HA H 3 5.252 5.252 4.970 0.282 19438 1651 1 3 . 1 1 3 3 TYR C C 3 174.920 174.920 174.498 0.422 19438 1652 1 3 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.057 0.303 19438 1653 1 3 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.778 1.392 19438 1654 1 3 . 1 1 3 3 TYR H H 3 8.927 8.927 9.459 -0.532 19438 1655 1 3 . 1 1 4 4 ASP N N 4 119.790 119.790 122.425 -2.635 19438 1656 1 3 . 1 1 4 4 ASP HA H 4 5.479 5.479 4.880 0.599 19438 1657 1 3 . 1 1 4 4 ASP C C 4 175.780 175.780 175.259 0.521 19438 1658 1 3 . 1 1 4 4 ASP CA C 4 52.900 52.900 52.909 -0.009 19438 1659 1 3 . 1 1 4 4 ASP CB C 4 43.970 43.970 42.156 1.814 19438 1660 1 3 . 1 1 4 4 ASP H H 4 9.170 9.170 9.218 -0.048 19438 1661 1 3 . 1 1 5 5 VAL N N 5 122.030 122.030 127.902 -5.872 19438 1662 1 3 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.435 0.287 19438 1663 1 3 . 1 1 5 5 VAL C C 5 174.520 174.520 174.945 -0.425 19438 1664 1 3 . 1 1 5 5 VAL CA C 5 62.100 62.100 62.454 -0.354 19438 1665 1 3 . 1 1 5 5 VAL CB C 5 31.720 31.720 32.313 -0.593 19438 1666 1 3 . 1 1 5 5 VAL H H 5 8.733 8.733 8.693 0.040 19438 1667 1 3 . 1 1 6 6 VAL N N 6 128.380 128.380 128.802 -0.422 19438 1668 1 3 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.857 -0.211 19438 1669 1 3 . 1 1 6 6 VAL C C 6 174.330 174.330 174.313 0.017 19438 1670 1 3 . 1 1 6 6 VAL CA C 6 61.750 61.750 60.765 0.985 19438 1671 1 3 . 1 1 6 6 VAL CB C 6 34.060 34.060 32.566 1.494 19438 1672 1 3 . 1 1 6 6 VAL H H 6 9.338 9.338 9.046 0.292 19438 1673 1 3 . 1 1 7 7 ILE N N 7 127.540 127.540 129.414 -1.874 19438 1674 1 3 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.172 -0.012 19438 1675 1 3 . 1 1 7 7 ILE C C 7 175.260 175.260 173.794 1.466 19438 1676 1 3 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.636 1.574 19438 1677 1 3 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.994 -0.894 19438 1678 1 3 . 1 1 7 7 ILE H H 7 9.295 9.295 9.173 0.122 19438 1679 1 3 . 1 1 8 8 ILE N N 8 126.500 126.500 129.080 -2.580 19438 1680 1 3 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.666 0.096 19438 1681 1 3 . 1 1 8 8 ILE CA C 8 58.790 58.790 57.918 0.872 19438 1682 1 3 . 1 1 8 8 ILE CB C 8 41.100 41.100 39.096 2.004 19438 1683 1 3 . 1 1 8 8 ILE H H 8 9.573 9.573 9.202 0.371 19438 1684 1 3 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.057 0.268 19438 1685 1 3 . 1 1 9 9 PRO C C 9 174.390 174.390 175.803 -1.413 19438 1686 1 3 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.657 -0.588 19438 1687 1 3 . 1 1 9 9 PRO CB C 9 31.600 31.600 31.508 0.092 19438 1688 1 3 . 1 1 10 10 GLU N N 10 120.480 120.480 122.253 -1.773 19438 1689 1 3 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.730 0.043 19438 1690 1 3 . 1 1 10 10 GLU C C 10 174.950 174.950 175.643 -0.693 19438 1691 1 3 . 1 1 10 10 GLU CA C 10 55.600 55.600 54.465 1.135 19438 1692 1 3 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.283 0.697 19438 1693 1 3 . 1 1 10 10 GLU H H 10 9.218 9.218 9.103 0.115 19438 1694 1 3 . 1 1 11 11 SER N N 11 117.470 117.470 120.273 -2.803 19438 1695 1 3 . 1 1 11 11 SER HA H 11 4.686 4.686 4.435 0.251 19438 1696 1 3 . 1 1 11 11 SER C C 11 174.460 174.460 174.694 -0.234 19438 1697 1 3 . 1 1 11 11 SER CA C 11 57.490 57.490 58.190 -0.700 19438 1698 1 3 . 1 1 11 11 SER CB C 11 64.820 64.820 63.829 0.991 19438 1699 1 3 . 1 1 11 11 SER H H 11 8.595 8.595 8.207 0.388 19438 1700 1 3 . 1 1 12 12 PHE N N 12 122.760 122.760 125.834 -3.074 19438 1701 1 3 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.390 0.281 19438 1702 1 3 . 1 1 12 12 PHE C C 12 175.440 175.440 174.368 1.072 19438 1703 1 3 . 1 1 12 12 PHE CA C 12 58.580 58.580 57.751 0.829 19438 1704 1 3 . 1 1 12 12 PHE CB C 12 39.940 39.940 38.573 1.367 19438 1705 1 3 . 1 1 12 12 PHE H H 12 8.298 8.298 8.324 -0.026 19438 1706 1 3 . 1 1 13 13 HIS N N 13 120.600 120.600 124.107 -3.507 19438 1707 1 3 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.800 -0.185 19438 1708 1 3 . 1 1 13 13 HIS C C 13 174.530 174.530 174.552 -0.022 19438 1709 1 3 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.394 0.216 19438 1710 1 3 . 1 1 13 13 HIS CB C 13 31.000 31.000 32.531 -1.531 19438 1711 1 3 . 1 1 13 13 HIS H H 13 8.243 8.243 8.257 -0.014 19438 1712 1 3 . 1 1 14 14 ARG N N 14 122.290 122.290 126.017 -3.727 19438 1713 1 3 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.421 -0.202 19438 1714 1 3 . 1 1 14 14 ARG C C 14 176.070 176.070 175.730 0.340 19438 1715 1 3 . 1 1 14 14 ARG CA C 14 56.580 56.580 56.070 0.510 19438 1716 1 3 . 1 1 14 14 ARG CB C 14 30.790 30.790 30.700 0.090 19438 1717 1 3 . 1 1 14 14 ARG H H 14 8.320 8.320 8.658 -0.338 19438 1718 1 3 . 1 1 15 15 PHE N N 15 120.220 120.220 125.390 -5.170 19438 1719 1 3 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.735 -0.039 19438 1720 1 3 . 1 1 15 15 PHE C C 15 175.550 175.550 176.211 -0.661 19438 1721 1 3 . 1 1 15 15 PHE CA C 15 57.630 57.630 57.938 -0.308 19438 1722 1 3 . 1 1 15 15 PHE CB C 15 39.920 39.920 38.608 1.312 19438 1723 1 3 . 1 1 15 15 PHE H H 15 8.409 8.409 8.801 -0.392 19438 1724 1 3 . 1 1 16 16 ASP N N 16 121.370 121.370 125.275 -3.905 19438 1725 1 3 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.794 -0.243 19438 1726 1 3 . 1 1 16 16 ASP C C 16 176.590 176.590 176.641 -0.051 19438 1727 1 3 . 1 1 16 16 ASP CA C 16 54.180 54.180 54.285 -0.105 19438 1728 1 3 . 1 1 16 16 ASP CB C 16 41.410 41.410 42.950 -1.540 19438 1729 1 3 . 1 1 16 16 ASP H H 16 8.397 8.397 8.156 0.241 19438 1730 1 3 . 1 1 17 17 LYS N N 17 119.880 119.880 120.608 -0.728 19438 1731 1 3 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.199 -0.032 19438 1732 1 3 . 1 1 17 17 LYS C C 17 176.550 176.550 177.340 -0.790 19438 1733 1 3 . 1 1 17 17 LYS CA C 17 57.110 57.110 58.683 -1.573 19438 1734 1 3 . 1 1 17 17 LYS CB C 17 32.420 32.420 32.850 -0.430 19438 1735 1 3 . 1 1 17 17 LYS H H 17 8.188 8.188 8.658 -0.470 19438 1736 1 3 . 1 1 18 18 HIS N N 18 118.390 118.390 114.524 3.866 19438 1737 1 3 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.689 -0.039 19438 1738 1 3 . 1 1 18 18 HIS C C 18 175.020 175.020 175.144 -0.124 19438 1739 1 3 . 1 1 18 18 HIS CA C 18 56.260 56.260 56.306 -0.046 19438 1740 1 3 . 1 1 18 18 HIS CB C 18 30.010 30.010 31.771 -1.761 19438 1741 1 3 . 1 1 18 18 HIS H H 18 8.339 8.339 8.394 -0.055 19438 1742 1 3 . 1 1 19 19 ASN N N 19 118.700 118.700 117.640 1.060 19438 1743 1 3 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.774 -0.102 19438 1744 1 3 . 1 1 19 19 ASN C C 19 175.170 175.170 173.833 1.337 19438 1745 1 3 . 1 1 19 19 ASN CA C 19 53.800 53.800 53.318 0.482 19438 1746 1 3 . 1 1 19 19 ASN CB C 19 38.730 38.730 40.435 -1.705 19438 1747 1 3 . 1 1 19 19 ASN H H 19 8.287 8.287 8.305 -0.018 19438 1748 1 3 . 1 1 20 20 MET N N 20 120.140 120.140 114.551 5.589 19438 1749 1 3 . 1 1 20 20 MET HA H 20 4.475 4.475 4.092 0.383 19438 1750 1 3 . 1 1 20 20 MET C C 20 176.470 176.470 173.694 2.776 19438 1751 1 3 . 1 1 20 20 MET CA C 20 55.640 55.640 55.996 -0.356 19438 1752 1 3 . 1 1 20 20 MET CB C 20 33.500 33.500 31.038 2.462 19438 1753 1 3 . 1 1 20 20 MET H H 20 8.495 8.495 9.320 -0.825 19438 1754 1 3 . 1 1 21 21 GLU N N 21 120.920 120.920 120.274 0.646 19438 1755 1 3 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.232 -0.031 19438 1756 1 3 . 1 1 21 21 GLU C C 21 176.380 176.380 173.516 2.864 19438 1757 1 3 . 1 1 21 21 GLU CA C 21 57.330 57.330 56.274 1.056 19438 1758 1 3 . 1 1 21 21 GLU CB C 21 30.080 30.080 32.832 -2.752 19438 1759 1 3 . 1 1 21 21 GLU H H 21 8.450 8.450 7.886 0.564 19438 1760 1 3 . 1 1 22 22 HIS N N 22 119.650 119.650 125.058 -5.408 19438 1761 1 3 . 1 1 22 22 HIS HA H 22 4.687 4.687 4.603 0.084 19438 1762 1 3 . 1 1 22 22 HIS C C 22 174.470 174.470 172.564 1.906 19438 1763 1 3 . 1 1 22 22 HIS CA C 22 55.980 55.980 56.191 -0.212 19438 1764 1 3 . 1 1 22 22 HIS CB C 22 30.530 30.530 30.241 0.289 19438 1765 1 3 . 1 1 22 22 HIS H H 22 8.334 8.334 8.643 -0.309 19438 1766 1 3 . 1 1 23 23 ILE N N 23 121.910 121.910 123.074 -1.164 19438 1767 1 3 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.237 -0.086 19438 1768 1 3 . 1 1 23 23 ILE C C 23 175.870 175.870 175.166 0.704 19438 1769 1 3 . 1 1 23 23 ILE CA C 23 61.170 61.170 58.856 2.314 19438 1770 1 3 . 1 1 23 23 ILE CB C 23 38.850 38.850 39.246 -0.396 19438 1771 1 3 . 1 1 23 23 ILE H H 23 7.782 7.782 8.487 -0.705 19438 1772 1 3 . 1 1 24 24 CYS N N 24 124.920 124.920 126.876 -1.956 19438 1773 1 3 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.673 0.121 19438 1774 1 3 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.121 -2.991 19438 1775 1 3 . 1 1 24 24 CYS CB C 24 42.470 42.470 28.711 13.759 19438 1776 1 3 . 1 1 24 24 CYS H H 24 8.697 8.697 8.529 0.168 19438 1777 1 3 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.458 0.272 19438 1778 1 3 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.452 0.302 19438 1779 1 3 . 1 1 26 26 PRO C C 26 175.820 175.820 175.942 -0.122 19438 1780 1 3 . 1 1 26 26 PRO CA C 26 62.580 62.580 62.645 -0.065 19438 1781 1 3 . 1 1 26 26 PRO CB C 26 32.590 32.590 33.119 -0.529 19438 1782 1 3 . 1 1 27 27 MET N N 27 120.580 120.580 121.810 -1.230 19438 1783 1 3 . 1 1 27 27 MET HA H 27 5.180 5.180 5.130 0.050 19438 1784 1 3 . 1 1 27 27 MET C C 27 174.810 174.810 175.361 -0.551 19438 1785 1 3 . 1 1 27 27 MET CA C 27 53.270 53.270 55.180 -1.910 19438 1786 1 3 . 1 1 27 27 MET CB C 27 34.580 34.580 35.618 -1.038 19438 1787 1 3 . 1 1 27 27 MET H H 27 9.055 9.055 8.973 0.082 19438 1788 1 3 . 1 1 28 28 VAL N N 28 122.030 122.030 123.364 -1.334 19438 1789 1 3 . 1 1 28 28 VAL HA H 28 5.093 5.093 4.970 0.123 19438 1790 1 3 . 1 1 28 28 VAL C C 28 175.710 175.710 174.779 0.931 19438 1791 1 3 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.267 -0.617 19438 1792 1 3 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.134 1.336 19438 1793 1 3 . 1 1 28 28 VAL H H 28 8.575 8.575 8.759 -0.184 19438 1794 1 3 . 1 1 29 29 ILE N N 29 129.440 129.440 127.216 2.224 19438 1795 1 3 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.508 -0.142 19438 1796 1 3 . 1 1 29 29 ILE C C 29 176.490 176.490 174.486 2.004 19438 1797 1 3 . 1 1 29 29 ILE CA C 29 61.260 61.260 59.172 2.087 19438 1798 1 3 . 1 1 29 29 ILE CB C 29 37.960 37.960 38.833 -0.873 19438 1799 1 3 . 1 1 29 29 ILE H H 29 9.200 9.200 9.079 0.121 19438 1800 1 3 . 1 1 30 30 GLY N N 30 112.580 112.580 114.606 -2.026 19438 1801 1 3 . 1 1 30 30 GLY C C 30 175.350 175.350 173.850 1.500 19438 1802 1 3 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.539 1.571 19438 1803 1 3 . 1 1 30 30 GLY H H 30 8.525 8.525 8.728 -0.203 19438 1804 1 3 . 1 1 31 31 ASP N N 31 121.320 121.320 121.763 -0.443 19438 1805 1 3 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.613 -0.510 19438 1806 1 3 . 1 1 31 31 ASP C C 31 175.530 175.530 175.632 -0.102 19438 1807 1 3 . 1 1 31 31 ASP CA C 31 55.530 55.530 53.683 1.847 19438 1808 1 3 . 1 1 31 31 ASP CB C 31 39.620 39.620 42.029 -2.409 19438 1809 1 3 . 1 1 31 31 ASP H H 31 9.133 9.133 7.875 1.258 19438 1810 1 3 . 1 1 32 32 ARG N N 32 117.600 117.600 120.944 -3.344 19438 1811 1 3 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.815 0.216 19438 1812 1 3 . 1 1 32 32 ARG C C 32 177.060 177.060 175.638 1.422 19438 1813 1 3 . 1 1 32 32 ARG CA C 32 52.790 52.790 54.415 -1.625 19438 1814 1 3 . 1 1 32 32 ARG CB C 32 34.650 34.650 31.756 2.893 19438 1815 1 3 . 1 1 32 32 ARG H H 32 9.529 9.529 7.615 1.914 19438 1816 1 3 . 1 1 33 33 SER N N 33 116.150 116.150 119.533 -3.383 19438 1817 1 3 . 1 1 33 33 SER HA H 33 4.819 4.819 4.977 -0.158 19438 1818 1 3 . 1 1 33 33 SER C C 33 174.290 174.290 175.250 -0.960 19438 1819 1 3 . 1 1 33 33 SER CA C 33 58.130 58.130 57.992 0.138 19438 1820 1 3 . 1 1 33 33 SER CB C 33 64.530 64.530 64.560 -0.030 19438 1821 1 3 . 1 1 33 33 SER H H 33 8.400 8.400 8.688 -0.288 19438 1822 1 3 . 1 1 34 34 TYR N N 34 122.110 122.110 122.346 -0.236 19438 1823 1 3 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.684 -0.299 19438 1824 1 3 . 1 1 34 34 TYR C C 34 176.280 176.280 176.980 -0.700 19438 1825 1 3 . 1 1 34 34 TYR CA C 34 63.060 63.060 63.072 -0.012 19438 1826 1 3 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.326 0.024 19438 1827 1 3 . 1 1 34 34 TYR H H 34 9.456 9.456 8.819 0.637 19438 1828 1 3 . 1 1 35 35 ASP N N 35 114.640 114.640 119.051 -4.411 19438 1829 1 3 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.230 -0.164 19438 1830 1 3 . 1 1 35 35 ASP C C 35 179.460 179.460 178.553 0.907 19438 1831 1 3 . 1 1 35 35 ASP CA C 35 57.380 57.380 58.030 -0.650 19438 1832 1 3 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.269 -0.429 19438 1833 1 3 . 1 1 35 35 ASP H H 35 8.611 8.611 8.496 0.115 19438 1834 1 3 . 1 1 36 36 ILE N N 36 120.860 120.860 120.095 0.765 19438 1835 1 3 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.764 0.084 19438 1836 1 3 . 1 1 36 36 ILE C C 36 178.000 178.000 177.728 0.272 19438 1837 1 3 . 1 1 36 36 ILE CA C 36 62.660 62.660 64.420 -1.760 19438 1838 1 3 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.810 -1.110 19438 1839 1 3 . 1 1 36 36 ILE H H 36 7.298 7.298 7.285 0.013 19438 1840 1 3 . 1 1 37 37 ALA N N 37 123.260 123.260 123.066 0.194 19438 1841 1 3 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.802 -0.070 19438 1842 1 3 . 1 1 37 37 ALA C C 37 179.720 179.720 178.979 0.741 19438 1843 1 3 . 1 1 37 37 ALA CA C 37 55.720 55.720 54.889 0.832 19438 1844 1 3 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.209 -0.229 19438 1845 1 3 . 1 1 37 37 ALA H H 37 8.906 8.906 8.499 0.407 19438 1846 1 3 . 1 1 38 38 MET N N 38 114.900 114.900 117.857 -2.957 19438 1847 1 3 . 1 1 38 38 MET HA H 38 4.282 4.282 3.937 0.345 19438 1848 1 3 . 1 1 38 38 MET C C 38 178.940 178.940 178.187 0.753 19438 1849 1 3 . 1 1 38 38 MET CA C 38 55.940 55.940 57.765 -1.825 19438 1850 1 3 . 1 1 38 38 MET CB C 38 29.570 29.570 32.032 -2.462 19438 1851 1 3 . 1 1 38 38 MET H H 38 8.237 8.237 8.294 -0.057 19438 1852 1 3 . 1 1 39 39 GLU N N 39 120.020 120.020 119.528 0.492 19438 1853 1 3 . 1 1 39 39 GLU HA H 39 4.101 4.101 4.124 -0.023 19438 1854 1 3 . 1 1 39 39 GLU C C 39 180.880 180.880 179.653 1.227 19438 1855 1 3 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.218 0.412 19438 1856 1 3 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.484 -0.434 19438 1857 1 3 . 1 1 39 39 GLU H H 39 7.517 7.517 7.944 -0.427 19438 1858 1 3 . 1 1 40 40 ILE N N 40 122.000 122.000 121.666 0.334 19438 1859 1 3 . 1 1 40 40 ILE HA H 40 3.710 3.710 3.352 0.358 19438 1860 1 3 . 1 1 40 40 ILE C C 40 177.890 177.890 177.497 0.393 19438 1861 1 3 . 1 1 40 40 ILE CA C 40 65.240 65.240 63.294 1.946 19438 1862 1 3 . 1 1 40 40 ILE CB C 40 36.900 36.900 37.375 -0.475 19438 1863 1 3 . 1 1 40 40 ILE H H 40 8.220 8.220 8.259 -0.039 19438 1864 1 3 . 1 1 41 41 VAL N N 41 120.760 120.760 120.414 0.346 19438 1865 1 3 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.534 -0.148 19438 1866 1 3 . 1 1 41 41 VAL C C 41 179.090 179.090 178.295 0.795 19438 1867 1 3 . 1 1 41 41 VAL CA C 41 67.860 67.860 66.806 1.054 19438 1868 1 3 . 1 1 41 41 VAL CB C 41 31.330 31.330 30.845 0.485 19438 1869 1 3 . 1 1 41 41 VAL H H 41 8.737 8.737 8.394 0.343 19438 1870 1 3 . 1 1 42 42 ASN N N 42 119.950 119.950 118.175 1.775 19438 1871 1 3 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.599 0.008 19438 1872 1 3 . 1 1 42 42 ASN C C 42 178.080 178.080 177.779 0.301 19438 1873 1 3 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.218 -0.338 19438 1874 1 3 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.678 -1.188 19438 1875 1 3 . 1 1 42 42 ASN H H 42 8.542 8.542 8.703 -0.161 19438 1876 1 3 . 1 1 43 43 GLY N N 43 112.070 112.070 109.937 2.133 19438 1877 1 3 . 1 1 43 43 GLY C C 43 176.070 176.070 176.017 0.053 19438 1878 1 3 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.184 0.406 19438 1879 1 3 . 1 1 43 43 GLY H H 43 8.387 8.387 8.096 0.291 19438 1880 1 3 . 1 1 44 44 VAL N N 44 122.900 122.900 122.538 0.362 19438 1881 1 3 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.471 0.056 19438 1882 1 3 . 1 1 44 44 VAL C C 44 176.700 176.700 177.018 -0.318 19438 1883 1 3 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.580 0.260 19438 1884 1 3 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.545 -0.295 19438 1885 1 3 . 1 1 44 44 VAL H H 44 9.078 9.078 8.409 0.669 19438 1886 1 3 . 1 1 45 45 ASP N N 45 119.070 119.070 119.728 -0.658 19438 1887 1 3 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.217 -0.025 19438 1888 1 3 . 1 1 45 45 ASP C C 45 176.540 176.540 178.390 -1.850 19438 1889 1 3 . 1 1 45 45 ASP CA C 45 58.490 58.490 57.916 0.574 19438 1890 1 3 . 1 1 45 45 ASP CB C 45 42.940 42.940 40.946 1.994 19438 1891 1 3 . 1 1 45 45 ASP H H 45 7.745 7.745 8.276 -0.531 19438 1892 1 3 . 1 1 46 46 ARG N N 46 115.750 115.750 118.583 -2.833 19438 1893 1 3 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.088 -0.094 19438 1894 1 3 . 1 1 46 46 ARG C C 46 179.760 179.760 178.889 0.871 19438 1895 1 3 . 1 1 46 46 ARG CA C 46 59.630 59.630 59.231 0.399 19438 1896 1 3 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.407 -0.217 19438 1897 1 3 . 1 1 46 46 ARG H H 46 7.557 7.557 7.886 -0.329 19438 1898 1 3 . 1 1 47 47 VAL N N 47 118.740 118.740 120.273 -1.533 19438 1899 1 3 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.833 0.079 19438 1900 1 3 . 1 1 47 47 VAL C C 47 179.150 179.150 178.017 1.133 19438 1901 1 3 . 1 1 47 47 VAL CA C 47 66.040 66.040 65.758 0.282 19438 1902 1 3 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.155 0.615 19438 1903 1 3 . 1 1 47 47 VAL H H 47 8.187 8.187 7.775 0.412 19438 1904 1 3 . 1 1 48 48 ILE N N 48 122.340 122.340 121.399 0.941 19438 1905 1 3 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.625 0.072 19438 1906 1 3 . 1 1 48 48 ILE C C 48 178.130 178.130 178.133 -0.003 19438 1907 1 3 . 1 1 48 48 ILE CA C 48 66.640 66.640 66.155 0.485 19438 1908 1 3 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.436 -0.806 19438 1909 1 3 . 1 1 48 48 ILE H H 48 8.786 8.786 8.502 0.284 19438 1910 1 3 . 1 1 49 49 LYS N N 49 116.860 116.860 118.137 -1.277 19438 1911 1 3 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.261 -0.203 19438 1912 1 3 . 1 1 49 49 LYS C C 49 178.120 178.120 178.805 -0.685 19438 1913 1 3 . 1 1 49 49 LYS CA C 49 60.270 60.270 58.995 1.274 19438 1914 1 3 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.185 0.915 19438 1915 1 3 . 1 1 49 49 LYS H H 49 7.785 7.785 8.273 -0.488 19438 1916 1 3 . 1 1 50 50 ALA N N 50 117.520 117.520 123.106 -5.586 19438 1917 1 3 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.307 0.049 19438 1918 1 3 . 1 1 50 50 ALA C C 50 179.940 179.940 179.857 0.083 19438 1919 1 3 . 1 1 50 50 ALA CA C 50 53.960 53.960 55.097 -1.137 19438 1920 1 3 . 1 1 50 50 ALA CB C 50 19.360 19.360 18.595 0.765 19438 1921 1 3 . 1 1 50 50 ALA H H 50 7.740 7.740 7.735 0.005 19438 1922 1 3 . 1 1 51 51 SER N N 51 111.860 111.860 113.605 -1.745 19438 1923 1 3 . 1 1 51 51 SER HA H 51 4.287 4.287 4.405 -0.118 19438 1924 1 3 . 1 1 51 51 SER C C 51 172.840 172.840 174.210 -1.370 19438 1925 1 3 . 1 1 51 51 SER CA C 51 60.610 60.610 60.833 -0.223 19438 1926 1 3 . 1 1 51 51 SER CB C 51 64.500 64.500 64.291 0.209 19438 1927 1 3 . 1 1 51 51 SER H H 51 7.957 7.957 8.432 -0.475 19438 1928 1 3 . 1 1 52 52 PHE N N 52 116.210 116.210 117.945 -1.735 19438 1929 1 3 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.628 0.149 19438 1930 1 3 . 1 1 52 52 PHE C C 52 174.210 174.210 174.223 -0.013 19438 1931 1 3 . 1 1 52 52 PHE CA C 52 56.290 56.290 55.953 0.337 19438 1932 1 3 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.582 0.998 19438 1933 1 3 . 1 1 52 52 PHE H H 52 7.901 7.901 8.063 -0.162 19438 1934 1 3 . 1 1 53 53 ASN N N 53 117.890 117.890 120.018 -2.128 19438 1935 1 3 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.854 0.048 19438 1936 1 3 . 1 1 53 53 ASN C C 53 175.120 175.120 173.424 1.696 19438 1937 1 3 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.699 1.251 19438 1938 1 3 . 1 1 53 53 ASN CB C 53 37.550 37.550 39.601 -2.051 19438 1939 1 3 . 1 1 53 53 ASN H H 53 8.205 8.205 8.845 -0.640 19438 1940 1 3 . 1 1 54 54 ALA N N 54 125.300 125.300 127.507 -2.207 19438 1941 1 3 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.526 -0.085 19438 1942 1 3 . 1 1 54 54 ALA C C 54 176.800 176.800 175.582 1.218 19438 1943 1 3 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.354 1.206 19438 1944 1 3 . 1 1 54 54 ALA CB C 54 24.080 24.080 22.760 1.320 19438 1945 1 3 . 1 1 54 54 ALA H H 54 8.246 8.246 8.661 -0.415 19438 1946 1 3 . 1 1 55 55 SER N N 55 115.850 115.850 115.956 -0.106 19438 1947 1 3 . 1 1 55 55 SER HA H 55 4.789 4.789 5.381 -0.592 19438 1948 1 3 . 1 1 55 55 SER C C 55 172.830 172.830 173.195 -0.365 19438 1949 1 3 . 1 1 55 55 SER CA C 55 57.200 57.200 56.611 0.589 19438 1950 1 3 . 1 1 55 55 SER CB C 55 65.460 65.460 65.505 -0.045 19438 1951 1 3 . 1 1 55 55 SER H H 55 8.606 8.606 8.863 -0.257 19438 1952 1 3 . 1 1 56 56 VAL N N 56 121.700 121.700 127.371 -5.671 19438 1953 1 3 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.242 0.552 19438 1954 1 3 . 1 1 56 56 VAL C C 56 173.160 173.160 174.326 -1.166 19438 1955 1 3 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.634 -0.624 19438 1956 1 3 . 1 1 56 56 VAL CB C 56 35.570 35.570 32.590 2.980 19438 1957 1 3 . 1 1 56 56 VAL H H 56 8.648 8.648 8.030 0.618 19438 1958 1 3 . 1 1 57 57 GLU N N 57 126.130 126.130 129.077 -2.947 19438 1959 1 3 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.630 -0.118 19438 1960 1 3 . 1 1 57 57 GLU C C 57 174.090 174.090 174.420 -0.330 19438 1961 1 3 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.109 0.441 19438 1962 1 3 . 1 1 57 57 GLU CB C 57 33.910 33.910 33.786 0.124 19438 1963 1 3 . 1 1 57 57 GLU H H 57 8.122 8.122 8.916 -0.794 19438 1964 1 3 . 1 1 58 58 GLU N N 58 124.740 124.740 123.381 1.359 19438 1965 1 3 . 1 1 58 58 GLU HA H 58 4.687 4.687 5.158 -0.471 19438 1966 1 3 . 1 1 58 58 GLU C C 58 175.410 175.410 175.403 0.007 19438 1967 1 3 . 1 1 58 58 GLU CA C 58 55.990 55.990 54.648 1.342 19438 1968 1 3 . 1 1 58 58 GLU CB C 58 30.330 30.330 31.731 -1.401 19438 1969 1 3 . 1 1 58 58 GLU H H 58 8.610 8.610 8.544 0.066 19438 1970 1 3 . 1 1 59 59 LEU N N 59 126.780 126.780 124.641 2.139 19438 1971 1 3 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.793 -0.082 19438 1972 1 3 . 1 1 59 59 LEU C C 59 175.970 175.970 175.668 0.302 19438 1973 1 3 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.385 0.395 19438 1974 1 3 . 1 1 59 59 LEU CB C 59 45.320 45.320 45.604 -0.284 19438 1975 1 3 . 1 1 59 59 LEU H H 59 8.259 8.259 9.192 -0.933 19438 1976 1 3 . 1 1 60 60 GLU N N 60 119.810 119.810 118.742 1.068 19438 1977 1 3 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.561 -0.213 19438 1978 1 3 . 1 1 60 60 GLU C C 60 177.560 177.560 176.284 1.276 19438 1979 1 3 . 1 1 60 60 GLU CA C 60 57.340 57.340 54.974 2.366 19438 1980 1 3 . 1 1 60 60 GLU CB C 60 30.260 30.260 32.133 -1.873 19438 1981 1 3 . 1 1 60 60 GLU H H 60 8.258 8.258 8.375 -0.117 19438 1982 1 3 . 1 1 61 61 GLY N N 61 117.720 117.720 112.612 5.108 19438 1983 1 3 . 1 1 61 61 GLY C C 61 174.320 174.320 173.963 0.357 19438 1984 1 3 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.535 0.035 19438 1985 1 3 . 1 1 61 61 GLY H H 61 8.726 8.726 8.364 0.362 19438 1986 1 3 . 1 1 62 62 GLU N N 62 121.700 121.700 119.602 2.098 19438 1987 1 3 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.275 0.256 19438 1988 1 3 . 1 1 62 62 GLU C C 62 177.690 177.690 177.076 0.614 19438 1989 1 3 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.731 -1.181 19438 1990 1 3 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.200 1.100 19438 1991 1 3 . 1 1 62 62 GLU H H 62 9.337 9.337 8.345 0.992 19438 1992 1 3 . 1 1 63 63 ASP N N 63 120.760 120.760 123.969 -3.209 19438 1993 1 3 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.212 0.118 19438 1994 1 3 . 1 1 63 63 ASP C C 63 178.080 178.080 176.143 1.937 19438 1995 1 3 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.340 0.590 19438 1996 1 3 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.078 0.692 19438 1997 1 3 . 1 1 63 63 ASP H H 63 8.632 8.632 8.973 -0.341 19438 1998 1 3 . 1 1 64 64 CYS N N 64 113.520 113.520 115.768 -2.248 19438 1999 1 3 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.788 -0.356 19438 2000 1 3 . 1 1 64 64 CYS C C 64 173.700 173.700 174.847 -1.147 19438 2001 1 3 . 1 1 64 64 CYS CA C 64 57.170 57.170 56.417 0.753 19438 2002 1 3 . 1 1 64 64 CYS CB C 64 41.210 41.210 27.219 13.991 19438 2003 1 3 . 1 1 64 64 CYS H H 64 7.962 7.962 8.017 -0.055 19438 2004 1 3 . 1 1 65 65 ASP N N 65 120.200 120.200 123.630 -3.430 19438 2005 1 3 . 1 1 65 65 ASP HA H 65 5.190 5.190 5.040 0.150 19438 2006 1 3 . 1 1 65 65 ASP C C 65 176.540 176.540 176.900 -0.360 19438 2007 1 3 . 1 1 65 65 ASP CA C 65 54.310 54.310 54.246 0.064 19438 2008 1 3 . 1 1 65 65 ASP CB C 65 41.150 41.150 40.294 0.856 19438 2009 1 3 . 1 1 65 65 ASP H H 65 7.936 7.936 8.258 -0.322 19438 2010 1 3 . 1 1 66 66 VAL N N 66 122.070 122.070 123.814 -1.744 19438 2011 1 3 . 1 1 66 66 VAL HA H 66 4.267 4.267 3.999 0.268 19438 2012 1 3 . 1 1 66 66 VAL C C 66 176.000 176.000 175.642 0.358 19438 2013 1 3 . 1 1 66 66 VAL CA C 66 63.190 63.190 64.111 -0.921 19438 2014 1 3 . 1 1 66 66 VAL CB C 66 32.430 32.430 32.777 -0.347 19438 2015 1 3 . 1 1 66 66 VAL H H 66 9.431 9.431 8.999 0.432 19438 2016 1 3 . 1 1 67 67 LEU N N 67 119.700 119.700 119.739 -0.039 19438 2017 1 3 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.701 -0.062 19438 2018 1 3 . 1 1 67 67 LEU C C 67 174.400 174.400 173.756 0.644 19438 2019 1 3 . 1 1 67 67 LEU CA C 67 55.100 55.100 54.706 0.394 19438 2020 1 3 . 1 1 67 67 LEU CB C 67 46.020 46.020 45.831 0.189 19438 2021 1 3 . 1 1 67 67 LEU H H 67 7.625 7.625 7.434 0.191 19438 2022 1 3 . 1 1 68 68 TYR N N 68 126.330 126.330 127.744 -1.414 19438 2023 1 3 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.375 0.475 19438 2024 1 3 . 1 1 68 68 TYR C C 68 173.460 173.460 173.177 0.283 19438 2025 1 3 . 1 1 68 68 TYR CA C 68 54.660 54.660 55.785 -1.125 19438 2026 1 3 . 1 1 68 68 TYR CB C 68 38.140 38.140 40.951 -2.811 19438 2027 1 3 . 1 1 68 68 TYR H H 68 9.086 9.086 9.072 0.014 19438 2028 1 3 . 1 1 69 69 ARG N N 69 127.440 127.440 127.554 -0.114 19438 2029 1 3 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.297 -0.437 19438 2030 1 3 . 1 1 69 69 ARG C C 69 173.030 173.030 174.788 -1.758 19438 2031 1 3 . 1 1 69 69 ARG CA C 69 54.430 54.430 53.994 0.436 19438 2032 1 3 . 1 1 69 69 ARG CB C 69 35.030 35.030 32.529 2.501 19438 2033 1 3 . 1 1 69 69 ARG H H 69 9.569 9.569 9.372 0.197 19438 2034 1 3 . 1 1 70 70 LYS N N 70 122.850 122.850 126.644 -3.794 19438 2035 1 3 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.115 -0.110 19438 2036 1 3 . 1 1 70 70 LYS C C 70 175.830 175.830 174.731 1.099 19438 2037 1 3 . 1 1 70 70 LYS CA C 70 54.690 54.690 55.323 -0.633 19438 2038 1 3 . 1 1 70 70 LYS CB C 70 36.040 36.040 35.149 0.891 19438 2039 1 3 . 1 1 70 70 LYS H H 70 8.612 8.612 9.042 -0.430 19438 2040 1 3 . 1 1 71 71 TYR N N 71 129.420 129.420 127.949 1.471 19438 2041 1 3 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.416 -0.114 19438 2042 1 3 . 1 1 71 71 TYR C C 71 175.710 175.710 176.245 -0.535 19438 2043 1 3 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.712 0.249 19438 2044 1 3 . 1 1 71 71 TYR CB C 71 40.330 40.330 39.774 0.556 19438 2045 1 3 . 1 1 71 71 TYR H H 71 9.762 9.762 9.402 0.360 19438 2046 1 3 . 1 1 72 72 THR N N 72 119.820 119.820 122.842 -3.022 19438 2047 1 3 . 1 1 72 72 THR HA H 72 4.707 4.707 4.756 -0.049 19438 2048 1 3 . 1 1 72 72 THR C C 72 173.860 173.860 173.512 0.348 19438 2049 1 3 . 1 1 72 72 THR CA C 72 63.250 63.250 63.240 0.010 19438 2050 1 3 . 1 1 72 72 THR CB C 72 69.370 69.370 69.485 -0.115 19438 2051 1 3 . 1 1 72 72 THR H H 72 8.845 8.845 9.341 -0.496 19438 2052 1 3 . 1 1 73 73 LEU N N 73 125.420 125.420 128.224 -2.804 19438 2053 1 3 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.280 -0.151 19438 2054 1 3 . 1 1 73 73 LEU C C 73 175.760 175.760 175.631 0.129 19438 2055 1 3 . 1 1 73 73 LEU CA C 73 54.080 54.080 53.541 0.539 19438 2056 1 3 . 1 1 73 73 LEU CB C 73 45.350 45.350 43.887 1.463 19438 2057 1 3 . 1 1 73 73 LEU H H 73 8.929 8.929 9.368 -0.439 19438 2058 1 3 . 1 1 74 74 GLU N N 74 120.090 120.090 122.771 -2.681 19438 2059 1 3 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.047 0.167 19438 2060 1 3 . 1 1 74 74 GLU C C 74 175.400 175.400 175.573 -0.173 19438 2061 1 3 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.433 0.307 19438 2062 1 3 . 1 1 74 74 GLU CB C 74 33.040 33.040 31.548 1.492 19438 2063 1 3 . 1 1 74 74 GLU H H 74 8.311 8.311 8.933 -0.622 19438 2064 1 3 . 1 1 75 75 LYS N N 75 124.230 124.230 125.696 -1.466 19438 2065 1 3 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.378 0.095 19438 2066 1 3 . 1 1 75 75 LYS C C 75 175.380 175.380 175.860 -0.480 19438 2067 1 3 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.213 2.847 19438 2068 1 3 . 1 1 75 75 LYS CB C 75 35.740 35.740 31.724 4.016 19438 2069 1 3 . 1 1 75 75 LYS H H 75 8.691 8.691 8.822 -0.131 19438 2070 1 3 . 1 1 76 76 GLU N N 76 127.760 127.760 125.156 2.604 19438 2071 1 3 . 1 1 76 76 GLU HA H 76 3.903 3.903 3.813 0.090 19438 2072 1 3 . 1 1 76 76 GLU C C 76 176.190 176.190 176.138 0.052 19438 2073 1 3 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.342 0.109 19438 2074 1 3 . 1 1 76 76 GLU CB C 76 27.830 27.830 27.867 -0.038 19438 2075 1 3 . 1 1 76 76 GLU H H 76 9.556 9.556 8.353 1.203 19438 2076 1 3 . 1 1 77 77 GLY N N 77 106.560 106.560 109.518 -2.958 19438 2077 1 3 . 1 1 77 77 GLY C C 77 174.320 174.320 174.293 0.027 19438 2078 1 3 . 1 1 77 77 GLY CA C 77 45.640 45.640 44.938 0.702 19438 2079 1 3 . 1 1 77 77 GLY H H 77 8.928 8.928 9.272 -0.344 19438 2080 1 3 . 1 1 78 78 LYS N N 78 121.600 121.600 124.834 -3.234 19438 2081 1 3 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.468 0.117 19438 2082 1 3 . 1 1 78 78 LYS C C 78 175.240 175.240 175.356 -0.116 19438 2083 1 3 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.558 -0.178 19438 2084 1 3 . 1 1 78 78 LYS CB C 78 33.490 33.490 32.744 0.746 19438 2085 1 3 . 1 1 78 78 LYS H H 78 8.015 8.015 7.662 0.353 19438 2086 1 3 . 1 1 79 79 LYS N N 79 120.990 120.990 123.993 -3.003 19438 2087 1 3 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.029 0.170 19438 2088 1 3 . 1 1 79 79 LYS C C 79 176.150 176.150 175.409 0.741 19438 2089 1 3 . 1 1 79 79 LYS CA C 79 55.070 55.070 53.679 1.391 19438 2090 1 3 . 1 1 79 79 LYS CB C 79 35.080 35.080 34.600 0.480 19438 2091 1 3 . 1 1 79 79 LYS H H 79 8.438 8.438 7.877 0.561 19438 2092 1 3 . 1 1 80 80 GLY N N 80 107.840 107.840 107.409 0.431 19438 2093 1 3 . 1 1 80 80 GLY C C 80 170.430 170.430 171.627 -1.197 19438 2094 1 3 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.450 -0.190 19438 2095 1 3 . 1 1 80 80 GLY H H 80 8.391 8.391 8.073 0.318 19438 2096 1 3 . 1 1 81 81 ILE N N 81 120.670 120.670 118.213 2.457 19438 2097 1 3 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.336 -0.054 19438 2098 1 3 . 1 1 81 81 ILE C C 81 175.210 175.210 174.365 0.845 19438 2099 1 3 . 1 1 81 81 ILE CA C 81 58.640 58.640 59.411 -0.771 19438 2100 1 3 . 1 1 81 81 ILE CB C 81 42.420 42.420 42.779 -0.360 19438 2101 1 3 . 1 1 81 81 ILE H H 81 8.623 8.623 8.870 -0.247 19438 2102 1 3 . 1 1 82 82 VAL N N 82 121.970 121.970 124.881 -2.911 19438 2103 1 3 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.563 0.151 19438 2104 1 3 . 1 1 82 82 VAL C C 82 174.230 174.230 174.907 -0.677 19438 2105 1 3 . 1 1 82 82 VAL CA C 82 61.010 61.010 61.129 -0.119 19438 2106 1 3 . 1 1 82 82 VAL CB C 82 35.260 35.260 33.258 2.002 19438 2107 1 3 . 1 1 82 82 VAL H H 82 8.967 8.967 9.007 -0.040 19438 2108 1 3 . 1 1 83 83 HIS N N 83 129.690 129.690 128.354 1.336 19438 2109 1 3 . 1 1 83 83 HIS HA H 83 5.219 5.219 5.136 0.083 19438 2110 1 3 . 1 1 83 83 HIS C C 83 174.960 174.960 174.550 0.410 19438 2111 1 3 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.730 0.710 19438 2112 1 3 . 1 1 83 83 HIS CB C 83 32.240 32.240 30.254 1.986 19438 2113 1 3 . 1 1 83 83 HIS H H 83 8.960 8.960 9.180 -0.220 19438 2114 1 3 . 1 1 84 84 VAL N N 84 125.620 125.620 127.072 -1.452 19438 2115 1 3 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.530 0.596 19438 2116 1 3 . 1 1 84 84 VAL C C 84 174.590 174.590 174.396 0.194 19438 2117 1 3 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.668 0.562 19438 2118 1 3 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.248 1.772 19438 2119 1 3 . 1 1 84 84 VAL H H 84 9.834 9.834 9.256 0.578 19438 2120 1 3 . 1 1 85 85 LYS N N 85 125.370 125.370 126.351 -0.981 19438 2121 1 3 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.476 -0.012 19438 2122 1 3 . 1 1 85 85 LYS C C 85 174.890 174.890 175.192 -0.302 19438 2123 1 3 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.560 0.650 19438 2124 1 3 . 1 1 85 85 LYS CB C 85 36.430 36.430 35.668 0.762 19438 2125 1 3 . 1 1 85 85 LYS H H 85 9.517 9.517 9.138 0.379 19438 2126 1 3 . 1 1 86 86 LEU N N 86 123.830 123.830 124.895 -1.065 19438 2127 1 3 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.728 0.419 19438 2128 1 3 . 1 1 86 86 LEU C C 86 174.760 174.760 175.216 -0.456 19438 2129 1 3 . 1 1 86 86 LEU CA C 86 54.210 54.210 53.892 0.318 19438 2130 1 3 . 1 1 86 86 LEU CB C 86 44.830 44.830 42.898 1.931 19438 2131 1 3 . 1 1 86 86 LEU H H 86 8.400 8.400 9.208 -0.808 19438 2132 1 3 . 1 1 87 87 ARG N N 87 128.610 128.610 125.735 2.875 19438 2133 1 3 . 1 1 87 87 ARG HA H 87 5.473 5.473 4.784 0.689 19438 2134 1 3 . 1 1 87 87 ARG C C 87 176.130 176.130 174.918 1.212 19438 2135 1 3 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.707 0.263 19438 2136 1 3 . 1 1 87 87 ARG CB C 87 34.230 34.230 32.342 1.888 19438 2137 1 3 . 1 1 87 87 ARG H H 87 9.647 9.647 8.955 0.692 19438 2138 1 3 . 1 1 88 88 LYS N N 88 122.810 122.810 129.214 -6.404 19438 2139 1 3 . 1 1 88 88 LYS HA H 88 4.138 4.138 3.503 0.635 19438 2140 1 3 . 1 1 88 88 LYS C C 88 174.890 174.890 175.430 -0.540 19438 2141 1 3 . 1 1 88 88 LYS CA C 88 56.330 56.330 56.232 0.098 19438 2142 1 3 . 1 1 88 88 LYS CB C 88 34.310 34.310 32.189 2.121 19438 2143 1 3 . 1 1 88 88 LYS H H 88 8.510 8.510 8.469 0.041 19438 2144 1 3 . 1 1 89 89 ILE N N 89 120.880 120.880 129.073 -8.193 19438 2145 1 3 . 1 1 89 89 ILE HA H 89 4.631 4.631 3.966 0.665 19438 2146 1 3 . 1 1 89 89 ILE C C 89 176.400 176.400 174.027 2.373 19438 2147 1 3 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.696 -1.026 19438 2148 1 3 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.836 -1.116 19438 2149 1 3 . 1 1 89 89 ILE H H 89 7.470 7.470 8.018 -0.548 19438 2150 1 3 . 1 1 90 90 THR N N 90 116.610 116.610 123.134 -6.524 19438 2151 1 3 . 1 1 90 90 THR HA H 90 4.700 4.700 4.554 0.146 19438 2152 1 3 . 1 1 90 90 THR CA C 90 59.100 59.100 59.904 -0.804 19438 2153 1 3 . 1 1 90 90 THR CB C 90 72.600 72.600 71.053 1.547 19438 2154 1 3 . 1 1 90 90 THR H H 90 7.701 7.701 7.667 0.034 19438 2155 1 3 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.206 -0.176 19438 2156 1 3 . 1 1 91 91 GLU C C 91 177.100 177.100 176.758 0.342 19438 2157 1 3 . 1 1 91 91 GLU CA C 91 59.640 59.640 58.801 0.839 19438 2158 1 3 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.590 -0.540 19438 2159 1 3 . 1 1 92 92 ASN N N 92 113.650 113.650 117.114 -3.464 19438 2160 1 3 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.708 -0.008 19438 2161 1 3 . 1 1 92 92 ASN C C 92 174.100 174.100 173.862 0.238 19438 2162 1 3 . 1 1 92 92 ASN CA C 92 53.490 53.490 52.770 0.720 19438 2163 1 3 . 1 1 92 92 ASN CB C 92 39.270 39.270 39.043 0.227 19438 2164 1 3 . 1 1 92 92 ASN H H 92 7.915 7.915 8.098 -0.183 19438 2165 1 3 . 1 1 93 93 CYS N N 93 120.190 120.190 119.651 0.539 19438 2166 1 3 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.920 0.156 19438 2167 1 3 . 1 1 93 93 CYS CA C 93 52.610 52.610 55.650 -3.040 19438 2168 1 3 . 1 1 93 93 CYS CB C 93 42.090 42.090 29.437 12.653 19438 2169 1 3 . 1 1 93 93 CYS H H 93 7.514 7.514 7.647 -0.133 19438 2170 1 3 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.811 -0.021 19438 2171 1 3 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.382 0.118 19438 2172 1 3 . 1 1 95 95 PRO C C 95 177.770 177.770 176.033 1.737 19438 2173 1 3 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.425 0.315 19438 2174 1 3 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.726 -0.626 19438 2175 1 3 . 1 1 96 96 VAL N N 96 123.600 123.600 120.615 2.985 19438 2176 1 3 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.239 -0.292 19438 2177 1 3 . 1 1 96 96 VAL C C 96 175.780 175.780 175.489 0.291 19438 2178 1 3 . 1 1 96 96 VAL CA C 96 62.100 62.100 61.059 1.041 19438 2179 1 3 . 1 1 96 96 VAL CB C 96 32.580 32.580 32.716 -0.136 19438 2180 1 3 . 1 1 96 96 VAL H H 96 9.071 9.071 8.636 0.435 19438 2181 1 3 . 1 1 97 97 ASP N N 97 125.400 125.400 120.757 4.643 19438 2182 1 3 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.656 0.014 19438 2183 1 3 . 1 1 97 97 ASP C C 97 175.410 175.410 175.022 0.388 19438 2184 1 3 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.256 0.754 19438 2185 1 3 . 1 1 97 97 ASP CB C 97 41.580 41.580 42.211 -0.631 19438 2186 1 3 . 1 1 97 97 ASP H H 97 8.313 8.313 8.271 0.042 19438 2187 1 3 . 1 1 98 98 GLY N N 98 108.310 108.310 108.395 -0.085 19438 2188 1 3 . 1 1 98 98 GLY C C 98 173.140 173.140 172.965 0.175 19438 2189 1 3 . 1 1 98 98 GLY CA C 98 45.270 45.270 45.112 0.158 19438 2190 1 3 . 1 1 98 98 GLY H H 98 7.838 7.838 8.027 -0.189 19438 2191 1 3 . 1 1 99 99 ASN N N 99 120.050 120.050 119.975 0.075 19438 2192 1 3 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.454 0.728 19438 2193 1 3 . 1 1 99 99 ASN C C 99 174.700 174.700 174.788 -0.088 19438 2194 1 3 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.667 -0.547 19438 2195 1 3 . 1 1 99 99 ASN CB C 99 39.360 39.360 39.006 0.354 19438 2196 1 3 . 1 1 99 99 ASN H H 99 8.685 8.685 8.373 0.312 19438 2197 1 3 . 1 1 100 100 ARG N N 100 121.100 121.100 127.672 -6.572 19438 2198 1 3 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.625 0.284 19438 2199 1 3 . 1 1 100 100 ARG C C 100 176.930 176.930 175.706 1.224 19438 2200 1 3 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.886 -0.076 19438 2201 1 3 . 1 1 100 100 ARG CB C 100 31.710 31.710 29.873 1.837 19438 2202 1 3 . 1 1 100 100 ARG H H 100 8.502 8.502 8.127 0.375 19438 2203 1 3 . 1 1 101 101 CYS N N 101 121.180 121.180 125.507 -4.327 19438 2204 1 3 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.460 0.246 19438 2205 1 3 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.106 -2.837 19438 2206 1 3 . 1 1 101 101 CYS H H 101 8.607 8.607 8.283 0.324 19438 2207 1 3 . 1 1 102 102 SER HA H 102 4.565 4.565 4.253 0.311 19438 2208 1 3 . 1 1 102 102 SER C C 102 174.220 174.220 174.293 -0.073 19438 2209 1 3 . 1 1 102 102 SER CA C 102 57.900 57.900 58.660 -0.760 19438 2210 1 3 . 1 1 102 102 SER CB C 102 63.700 63.700 62.520 1.180 19438 2211 1 3 . 1 1 103 103 VAL N N 103 122.910 122.910 125.240 -2.330 19438 2212 1 3 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.129 0.093 19438 2213 1 3 . 1 1 103 103 VAL C C 103 175.070 175.070 175.792 -0.722 19438 2214 1 3 . 1 1 103 103 VAL CA C 103 62.440 62.440 62.509 -0.069 19438 2215 1 3 . 1 1 103 103 VAL H H 103 8.332 8.332 8.244 0.088 19438 2216 1 3 . 1 1 104 104 LEU N N 104 125.940 125.940 127.514 -1.574 19438 2217 1 3 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.551 -0.138 19438 2218 1 3 . 1 1 104 104 LEU C C 104 177.220 177.220 175.628 1.592 19438 2219 1 3 . 1 1 104 104 LEU CA C 104 55.930 55.930 54.303 1.627 19438 2220 1 3 . 1 1 104 104 LEU CB C 104 42.890 42.890 43.653 -0.763 19438 2221 1 3 . 1 1 104 104 LEU H H 104 8.831 8.831 7.986 0.845 19438 2222 1 3 . 1 1 105 105 GLU N N 105 120.540 120.540 120.578 -0.038 19438 2223 1 3 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.532 -0.121 19438 2224 1 3 . 1 1 105 105 GLU C C 105 175.400 175.400 178.017 -2.617 19438 2225 1 3 . 1 1 105 105 GLU CA C 105 55.890 55.890 56.036 -0.146 19438 2226 1 3 . 1 1 105 105 GLU CB C 105 30.460 30.460 30.226 0.234 19438 2227 1 3 . 1 1 105 105 GLU H H 105 8.070 8.070 8.276 -0.206 19438 2228 1 3 . 1 1 106 106 PHE N N 106 124.060 124.060 122.426 1.634 19438 2229 1 3 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.228 -0.167 19438 2230 1 3 . 1 1 106 106 PHE C C 106 175.880 175.880 177.678 -1.798 19438 2231 1 3 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.772 0.348 19438 2232 1 3 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.053 0.617 19438 2233 1 3 . 1 1 106 106 PHE H H 106 8.666 8.666 8.914 -0.248 19438 2234 1 3 . 1 1 107 107 GLU N N 107 117.290 117.290 118.118 -0.828 19438 2235 1 3 . 1 1 107 107 GLU HA H 107 3.886 3.886 4.120 -0.234 19438 2236 1 3 . 1 1 107 107 GLU C C 107 178.050 178.050 179.605 -1.555 19438 2237 1 3 . 1 1 107 107 GLU CA C 107 59.360 59.360 60.002 -0.641 19438 2238 1 3 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.182 0.148 19438 2239 1 3 . 1 1 107 107 GLU H H 107 8.932 8.932 8.749 0.183 19438 2240 1 3 . 1 1 108 108 ARG N N 108 117.240 117.240 119.016 -1.776 19438 2241 1 3 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.250 0.058 19438 2242 1 3 . 1 1 108 108 ARG C C 108 177.930 177.930 178.139 -0.209 19438 2243 1 3 . 1 1 108 108 ARG CA C 108 57.120 57.120 58.605 -1.485 19438 2244 1 3 . 1 1 108 108 ARG CB C 108 31.110 31.110 30.536 0.574 19438 2245 1 3 . 1 1 108 108 ARG H H 108 7.533 7.533 8.271 -0.738 19438 2246 1 3 . 1 1 109 109 ASP N N 109 120.040 120.040 120.087 -0.047 19438 2247 1 3 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.481 0.119 19438 2248 1 3 . 1 1 109 109 ASP C C 109 177.980 177.980 178.010 -0.030 19438 2249 1 3 . 1 1 109 109 ASP CA C 109 56.810 56.810 56.165 0.645 19438 2250 1 3 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.258 1.242 19438 2251 1 3 . 1 1 109 109 ASP H H 109 8.295 8.295 7.742 0.553 19438 2252 1 3 . 1 1 110 110 ILE N N 110 118.710 118.710 121.599 -2.889 19438 2253 1 3 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.718 0.076 19438 2254 1 3 . 1 1 110 110 ILE C C 110 176.740 176.740 176.848 -0.108 19438 2255 1 3 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.338 -1.488 19438 2256 1 3 . 1 1 110 110 ILE CB C 110 37.030 37.030 38.265 -1.235 19438 2257 1 3 . 1 1 110 110 ILE H H 110 8.081 8.081 8.540 -0.459 19438 2258 1 3 . 1 1 111 111 GLU N N 111 121.140 121.140 120.093 1.047 19438 2259 1 3 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.958 0.004 19438 2260 1 3 . 1 1 111 111 GLU C C 111 177.400 177.400 178.432 -1.032 19438 2261 1 3 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.767 -0.167 19438 2262 1 3 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.639 -0.339 19438 2263 1 3 . 1 1 111 111 GLU H H 111 7.558 7.558 7.884 -0.326 19438 2264 1 3 . 1 1 112 112 CYS N N 112 117.380 117.380 119.321 -1.941 19438 2265 1 3 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.207 -0.104 19438 2266 1 3 . 1 1 112 112 CYS C C 112 176.570 176.570 177.234 -0.664 19438 2267 1 3 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.982 -3.692 19438 2268 1 3 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.156 15.754 19438 2269 1 3 . 1 1 112 112 CYS H H 112 7.739 7.739 7.956 -0.217 19438 2270 1 3 . 1 1 113 113 ILE N N 113 118.520 118.520 120.314 -1.794 19438 2271 1 3 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.775 0.058 19438 2272 1 3 . 1 1 113 113 ILE C C 113 177.220 177.220 178.372 -1.152 19438 2273 1 3 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.329 0.081 19438 2274 1 3 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.273 1.157 19438 2275 1 3 . 1 1 113 113 ILE H H 113 7.682 7.682 8.107 -0.425 19438 2276 1 3 . 1 1 114 114 VAL N N 114 120.390 120.390 120.592 -0.202 19438 2277 1 3 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.536 -0.068 19438 2278 1 3 . 1 1 114 114 VAL C C 114 177.970 177.970 178.281 -0.311 19438 2279 1 3 . 1 1 114 114 VAL CA C 114 67.960 67.960 66.810 1.150 19438 2280 1 3 . 1 1 114 114 VAL CB C 114 31.730 31.730 30.669 1.061 19438 2281 1 3 . 1 1 114 114 VAL H H 114 7.765 7.765 8.097 -0.332 19438 2282 1 3 . 1 1 115 115 LYS N N 115 118.840 118.840 120.115 -1.275 19438 2283 1 3 . 1 1 115 115 LYS HA H 115 4.129 4.129 3.956 0.173 19438 2284 1 3 . 1 1 115 115 LYS C C 115 178.870 178.870 178.869 0.001 19438 2285 1 3 . 1 1 115 115 LYS CA C 115 59.300 59.300 60.017 -0.717 19438 2286 1 3 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.151 -0.241 19438 2287 1 3 . 1 1 115 115 LYS H H 115 8.314 8.314 8.434 -0.120 19438 2288 1 3 . 1 1 116 116 ALA N N 116 121.000 121.000 122.384 -1.384 19438 2289 1 3 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.088 0.138 19438 2290 1 3 . 1 1 116 116 ALA C C 116 181.600 181.600 179.795 1.805 19438 2291 1 3 . 1 1 116 116 ALA CA C 116 55.320 55.320 55.065 0.255 19438 2292 1 3 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.123 0.527 19438 2293 1 3 . 1 1 116 116 ALA H H 116 7.427 7.427 8.010 -0.583 19438 2294 1 3 . 1 1 117 117 ILE N N 117 120.090 120.090 118.558 1.532 19438 2295 1 3 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.488 -0.175 19438 2296 1 3 . 1 1 117 117 ILE C C 117 177.630 177.630 177.855 -0.225 19438 2297 1 3 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.620 0.890 19438 2298 1 3 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.589 0.271 19438 2299 1 3 . 1 1 117 117 ILE H H 117 8.121 8.121 8.025 0.096 19438 2300 1 3 . 1 1 118 118 GLU N N 118 119.300 119.300 119.105 0.195 19438 2301 1 3 . 1 1 118 118 GLU HA H 118 3.886 3.886 4.059 -0.173 19438 2302 1 3 . 1 1 118 118 GLU C C 118 179.850 179.850 179.399 0.451 19438 2303 1 3 . 1 1 118 118 GLU CA C 118 60.760 60.760 59.575 1.185 19438 2304 1 3 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.133 0.517 19438 2305 1 3 . 1 1 118 118 GLU H H 118 8.657 8.657 8.376 0.281 19438 2306 1 3 . 1 1 119 119 GLU N N 119 119.080 119.080 120.149 -1.069 19438 2307 1 3 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.209 -0.141 19438 2308 1 3 . 1 1 119 119 GLU C C 119 178.670 178.670 178.834 -0.164 19438 2309 1 3 . 1 1 119 119 GLU CA C 119 59.390 59.390 59.086 0.304 19438 2310 1 3 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.510 0.210 19438 2311 1 3 . 1 1 119 119 GLU H H 119 8.596 8.596 8.225 0.371 19438 2312 1 3 . 1 1 120 120 CYS N N 120 117.950 117.950 119.048 -1.098 19438 2313 1 3 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.551 -0.109 19438 2314 1 3 . 1 1 120 120 CYS C C 120 177.280 177.280 177.696 -0.416 19438 2315 1 3 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.210 -3.730 19438 2316 1 3 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.084 13.336 19438 2317 1 3 . 1 1 120 120 CYS H H 120 7.686 7.686 8.029 -0.343 19438 2318 1 3 . 1 1 121 121 LEU N N 121 118.000 118.000 119.511 -1.511 19438 2319 1 3 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.332 -0.311 19438 2320 1 3 . 1 1 121 121 LEU C C 121 179.010 179.010 178.420 0.590 19438 2321 1 3 . 1 1 121 121 LEU CA C 121 57.670 57.670 56.793 0.877 19438 2322 1 3 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.435 -0.055 19438 2323 1 3 . 1 1 121 121 LEU H H 121 8.194 8.194 8.407 -0.213 19438 2324 1 3 . 1 1 122 122 ALA N N 122 119.940 119.940 121.691 -1.751 19438 2325 1 3 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.205 0.021 19438 2326 1 3 . 1 1 122 122 ALA C C 122 179.040 179.040 179.265 -0.225 19438 2327 1 3 . 1 1 122 122 ALA CA C 122 54.160 54.160 54.332 -0.172 19438 2328 1 3 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.497 0.383 19438 2329 1 3 . 1 1 122 122 ALA H H 122 7.974 7.974 7.515 0.459 19438 2330 1 3 . 1 1 123 123 LYS N N 123 117.940 117.940 119.794 -1.854 19438 2331 1 3 . 1 1 123 123 LYS HA H 123 4.191 4.191 3.986 0.205 19438 2332 1 3 . 1 1 123 123 LYS C C 123 177.770 177.770 177.423 0.347 19438 2333 1 3 . 1 1 123 123 LYS CA C 123 57.710 57.710 56.785 0.925 19438 2334 1 3 . 1 1 123 123 LYS CB C 123 32.570 32.570 32.752 -0.182 19438 2335 1 3 . 1 1 123 123 LYS H H 123 7.774 7.774 7.676 0.098 19438 2336 1 3 . 1 1 124 124 GLY N N 124 107.510 107.510 107.415 0.095 19438 2337 1 3 . 1 1 124 124 GLY C C 124 174.290 174.290 172.946 1.344 19438 2338 1 3 . 1 1 124 124 GLY CA C 124 46.060 46.060 44.529 1.531 19438 2339 1 3 . 1 1 124 124 GLY H H 124 8.084 8.084 7.562 0.522 19438 2340 1 3 . 1 1 125 125 GLU N N 125 120.170 120.170 122.193 -2.023 19438 2341 1 3 . 1 1 125 125 GLU HA H 125 4.318 4.318 3.620 0.698 19438 2342 1 3 . 1 1 125 125 GLU C C 125 176.940 176.940 175.630 1.310 19438 2343 1 3 . 1 1 125 125 GLU CA C 125 56.780 56.780 56.921 -0.141 19438 2344 1 3 . 1 1 125 125 GLU CB C 125 30.760 30.760 28.900 1.860 19438 2345 1 3 . 1 1 125 125 GLU H H 125 7.997 7.997 8.363 -0.366 19438 2346 1 3 . 1 1 126 126 LEU N N 126 122.210 122.210 127.531 -5.321 19438 2347 1 3 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.312 -0.002 19438 2348 1 3 . 1 1 126 126 LEU C C 126 177.320 177.320 174.430 2.890 19438 2349 1 3 . 1 1 126 126 LEU CA C 126 55.940 55.940 55.310 0.630 19438 2350 1 3 . 1 1 126 126 LEU CB C 126 42.540 42.540 43.883 -1.343 19438 2351 1 3 . 1 1 126 126 LEU H H 126 8.218 8.218 7.589 0.629 19438 2352 1 3 . 1 1 127 127 ASN N N 127 119.250 119.250 124.414 -5.164 19438 2353 1 3 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.739 -0.045 19438 2354 1 3 . 1 1 127 127 ASN C C 127 175.720 175.720 174.829 0.891 19438 2355 1 3 . 1 1 127 127 ASN CA C 127 53.930 53.930 54.170 -0.240 19438 2356 1 3 . 1 1 127 127 ASN CB C 127 38.970 38.970 38.853 0.117 19438 2357 1 3 . 1 1 127 127 ASN H H 127 8.445 8.445 8.632 -0.187 19438 2358 1 3 . 1 1 128 128 SER N N 128 116.060 116.060 122.219 -6.159 19438 2359 1 3 . 1 1 128 128 SER HA H 128 4.373 4.373 4.615 -0.242 19438 2360 1 3 . 1 1 128 128 SER C C 128 174.830 174.830 172.549 2.281 19438 2361 1 3 . 1 1 128 128 SER CA C 128 59.120 59.120 58.016 1.104 19438 2362 1 3 . 1 1 128 128 SER CB C 128 63.830 63.830 64.232 -0.402 19438 2363 1 3 . 1 1 128 128 SER H H 128 8.182 8.182 9.450 -1.268 19438 2364 1 3 . 1 1 129 129 LYS N N 129 122.520 122.520 119.691 2.829 19438 2365 1 3 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.500 -0.142 19438 2366 1 3 . 1 1 129 129 LYS C C 129 176.750 176.750 174.382 2.368 19438 2367 1 3 . 1 1 129 129 LYS CA C 129 56.710 56.710 56.264 0.446 19438 2368 1 3 . 1 1 129 129 LYS CB C 129 32.760 32.760 35.123 -2.363 19438 2369 1 3 . 1 1 129 129 LYS H H 129 8.154 8.154 7.627 0.527 19438 2370 1 3 . 1 1 130 130 LEU N N 130 122.340 122.340 122.673 -0.333 19438 2371 1 3 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.760 -0.432 19438 2372 1 3 . 1 1 130 130 LEU C C 130 177.430 177.430 175.396 2.034 19438 2373 1 3 . 1 1 130 130 LEU CA C 130 57.430 57.430 55.111 2.319 19438 2374 1 3 . 1 1 130 130 LEU CB C 130 42.380 42.380 42.803 -0.423 19438 2375 1 3 . 1 1 130 130 LEU H H 130 8.070 8.070 8.573 -0.503 19438 2376 1 3 . 1 1 131 131 GLU N N 131 121.450 121.450 125.126 -3.676 19438 2377 1 3 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.581 -0.286 19438 2378 1 3 . 1 1 131 131 GLU C C 131 176.920 176.920 176.630 0.290 19438 2379 1 3 . 1 1 131 131 GLU CA C 131 56.690 56.690 55.595 1.095 19438 2380 1 3 . 1 1 131 131 GLU CB C 131 30.380 30.380 29.686 0.694 19438 2381 1 3 . 1 1 131 131 GLU H H 131 8.250 8.250 8.534 -0.284 19438 2382 1 3 . 1 1 132 132 GLY N N 132 109.900 109.900 111.096 -1.196 19438 2383 1 3 . 1 1 132 132 GLY C C 132 173.770 173.770 174.027 -0.257 19438 2384 1 3 . 1 1 132 132 GLY CA C 132 45.290 45.290 45.096 0.194 19438 2385 1 3 . 1 1 132 132 GLY H H 132 8.334 8.334 8.695 -0.361 19438 2386 1 3 . 1 1 133 133 LYS N N 133 121.920 121.920 122.482 -0.562 19438 2387 1 3 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.703 -0.039 19438 2388 1 3 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.122 1.028 19438 2389 1 3 . 1 1 133 133 LYS CB C 133 32.710 32.710 32.965 -0.255 19438 2390 1 3 . 1 1 133 133 LYS H H 133 8.037 8.037 7.682 0.355 19438 2391 1 3 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.529 -0.078 19438 2392 1 3 . 1 1 134 134 PRO C C 134 176.670 176.670 175.906 0.764 19438 2393 1 3 . 1 1 134 134 PRO CA C 134 62.940 62.940 63.288 -0.348 19438 2394 1 3 . 1 1 134 134 PRO CB C 134 31.890 31.890 32.262 -0.372 19438 2395 1 3 . 1 1 135 135 ILE N N 135 122.710 122.710 124.305 -1.595 19438 2396 1 3 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.430 -0.002 19438 2397 1 3 . 1 1 135 135 ILE CA C 135 58.770 58.770 57.384 1.386 19438 2398 1 3 . 1 1 135 135 ILE CB C 135 38.640 38.640 39.451 -0.811 19438 2399 1 3 . 1 1 135 135 ILE H H 135 8.227 8.227 8.200 0.027 19438 2400 1 3 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.529 -0.157 19438 2401 1 3 . 1 1 136 136 PRO C C 136 176.330 176.330 176.022 0.308 19438 2402 1 3 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.718 0.532 19438 2403 1 3 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.309 -0.299 19438 2404 1 3 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.431 0.510 19438 2405 1 3 . 1 1 137 137 ASN CA C 137 51.270 51.270 53.312 -2.042 19438 2406 1 3 . 1 1 137 137 ASN CB C 137 38.670 38.670 37.373 1.297 19438 2407 1 3 . 1 1 137 137 ASN H H 137 8.383 8.383 8.796 -0.413 19438 2408 1 3 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.376 0.028 19438 2409 1 3 . 1 1 138 138 PRO C C 138 177.210 177.210 175.290 1.920 19438 2410 1 3 . 1 1 138 138 PRO CA C 138 63.310 63.310 64.815 -1.505 19438 2411 1 3 . 1 1 138 138 PRO CB C 138 32.100 32.100 32.007 0.093 19438 2412 1 3 . 1 1 139 139 LEU N N 139 119.860 119.860 114.275 5.585 19438 2413 1 3 . 1 1 139 139 LEU HA H 139 4.301 4.301 5.175 -0.874 19438 2414 1 3 . 1 1 139 139 LEU C C 139 177.640 177.640 175.189 2.451 19438 2415 1 3 . 1 1 139 139 LEU CA C 139 55.610 55.610 53.494 2.116 19438 2416 1 3 . 1 1 139 139 LEU CB C 139 41.540 41.540 44.624 -3.084 19438 2417 1 3 . 1 1 139 139 LEU H H 139 8.096 8.096 7.079 1.017 19438 2418 1 3 . 1 1 140 140 LEU N N 140 121.040 121.040 123.689 -2.649 19438 2419 1 3 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.613 -0.298 19438 2420 1 3 . 1 1 140 140 LEU C C 140 177.840 177.840 176.311 1.529 19438 2421 1 3 . 1 1 140 140 LEU CA C 140 55.370 55.370 54.929 0.440 19438 2422 1 3 . 1 1 140 140 LEU CB C 140 42.390 42.390 45.758 -3.368 19438 2423 1 3 . 1 1 140 140 LEU H H 140 7.749 7.749 8.136 -0.387 19438 2424 1 3 . 1 1 141 141 GLY N N 141 108.960 108.960 116.678 -7.718 19438 2425 1 3 . 1 1 141 141 GLY C C 141 174.380 174.380 172.998 1.382 19438 2426 1 3 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.774 -0.124 19438 2427 1 3 . 1 1 141 141 GLY H H 141 8.231 8.231 8.573 -0.342 19438 2428 1 3 . 1 1 142 142 LEU N N 142 121.470 121.470 122.160 -0.690 19438 2429 1 3 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.540 -0.204 19438 2430 1 3 . 1 1 142 142 LEU C C 142 177.390 177.390 175.463 1.927 19438 2431 1 3 . 1 1 142 142 LEU CA C 142 55.630 55.630 54.883 0.747 19438 2432 1 3 . 1 1 142 142 LEU CB C 142 42.600 42.600 43.271 -0.671 19438 2433 1 3 . 1 1 142 142 LEU H H 142 8.004 8.004 8.296 -0.292 19438 2434 1 3 . 1 1 143 143 ASP N N 143 120.770 120.770 125.875 -5.105 19438 2435 1 3 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.839 -0.166 19438 2436 1 3 . 1 1 143 143 ASP C C 143 176.870 176.870 175.468 1.402 19438 2437 1 3 . 1 1 143 143 ASP CA C 143 54.400 54.400 53.224 1.176 19438 2438 1 3 . 1 1 143 143 ASP CB C 143 41.170 41.170 40.882 0.288 19438 2439 1 3 . 1 1 143 143 ASP H H 143 8.380 8.380 8.577 -0.197 19438 2440 1 3 . 1 1 144 144 SER N N 144 116.820 116.820 123.166 -6.346 19438 2441 1 3 . 1 1 144 144 SER HA H 144 4.413 4.413 5.013 -0.600 19438 2442 1 3 . 1 1 144 144 SER C C 144 175.300 175.300 173.985 1.315 19438 2443 1 3 . 1 1 144 144 SER CA C 144 59.190 59.190 57.112 2.078 19438 2444 1 3 . 1 1 144 144 SER CB C 144 63.770 63.770 63.175 0.595 19438 2445 1 3 . 1 1 144 144 SER H H 144 8.298 8.298 8.236 0.062 19438 2446 1 3 . 1 1 145 145 THR N N 145 114.870 114.870 116.043 -1.173 19438 2447 1 3 . 1 1 145 145 THR HA H 145 4.419 4.419 4.383 0.036 19438 2448 1 3 . 1 1 145 145 THR C C 145 175.070 175.070 174.059 1.011 19438 2449 1 3 . 1 1 145 145 THR CA C 145 62.880 62.880 61.474 1.407 19438 2450 1 3 . 1 1 145 145 THR CB C 145 69.710 69.710 69.878 -0.168 19438 2451 1 3 . 1 1 145 145 THR H H 145 8.208 8.208 7.894 0.314 19438 2452 1 3 . 1 1 146 146 ARG N N 146 122.450 122.450 121.256 1.194 19438 2453 1 3 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.090 0.292 19438 2454 1 3 . 1 1 146 146 ARG C C 146 176.570 176.570 174.423 2.147 19438 2455 1 3 . 1 1 146 146 ARG CA C 146 56.350 56.350 56.641 -0.291 19438 2456 1 3 . 1 1 146 146 ARG CB C 146 30.620 30.620 29.851 0.769 19438 2457 1 3 . 1 1 146 146 ARG H H 146 8.122 8.122 8.767 -0.645 19438 2458 1 3 . 1 1 147 147 THR N N 147 113.830 113.830 115.393 -1.563 19438 2459 1 3 . 1 1 147 147 THR HA H 147 4.400 4.400 4.969 -0.569 19438 2460 1 3 . 1 1 147 147 THR C C 147 175.200 175.200 173.288 1.912 19438 2461 1 3 . 1 1 147 147 THR CA C 147 62.110 62.110 61.339 0.771 19438 2462 1 3 . 1 1 147 147 THR CB C 147 69.950 69.950 71.184 -1.234 19438 2463 1 3 . 1 1 147 147 THR H H 147 8.039 8.039 8.202 -0.163 19438 2464 1 4 . 1 1 2 2 LYS N N 2 124.740 124.740 122.598 2.142 19438 2465 1 4 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.842 -0.032 19438 2466 1 4 . 1 1 2 2 LYS C C 2 173.640 173.640 175.465 -1.825 19438 2467 1 4 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.423 -1.464 19438 2468 1 4 . 1 1 2 2 LYS CB C 2 34.850 34.850 34.303 0.547 19438 2469 1 4 . 1 1 2 2 LYS H H 2 8.620 8.620 8.757 -0.137 19438 2470 1 4 . 1 1 3 3 TYR N N 3 114.840 114.840 122.211 -7.371 19438 2471 1 4 . 1 1 3 3 TYR HA H 3 5.252 5.252 4.801 0.451 19438 2472 1 4 . 1 1 3 3 TYR C C 3 174.920 174.920 174.329 0.591 19438 2473 1 4 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.559 -0.199 19438 2474 1 4 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.926 1.244 19438 2475 1 4 . 1 1 3 3 TYR H H 3 8.927 8.927 9.493 -0.566 19438 2476 1 4 . 1 1 4 4 ASP N N 4 119.790 119.790 121.758 -1.968 19438 2477 1 4 . 1 1 4 4 ASP HA H 4 5.479 5.479 4.895 0.584 19438 2478 1 4 . 1 1 4 4 ASP C C 4 175.780 175.780 174.938 0.842 19438 2479 1 4 . 1 1 4 4 ASP CA C 4 52.900 52.900 52.810 0.090 19438 2480 1 4 . 1 1 4 4 ASP CB C 4 43.970 43.970 42.604 1.366 19438 2481 1 4 . 1 1 4 4 ASP H H 4 9.170 9.170 9.100 0.070 19438 2482 1 4 . 1 1 5 5 VAL N N 5 122.030 122.030 127.437 -5.407 19438 2483 1 4 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.632 0.090 19438 2484 1 4 . 1 1 5 5 VAL C C 5 174.520 174.520 174.449 0.071 19438 2485 1 4 . 1 1 5 5 VAL CA C 5 62.100 62.100 61.507 0.593 19438 2486 1 4 . 1 1 5 5 VAL CB C 5 31.720 31.720 33.044 -1.324 19438 2487 1 4 . 1 1 5 5 VAL H H 5 8.733 8.733 8.715 0.018 19438 2488 1 4 . 1 1 6 6 VAL N N 6 128.380 128.380 128.551 -0.171 19438 2489 1 4 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.948 -0.302 19438 2490 1 4 . 1 1 6 6 VAL C C 6 174.330 174.330 173.570 0.760 19438 2491 1 4 . 1 1 6 6 VAL CA C 6 61.750 61.750 59.383 2.367 19438 2492 1 4 . 1 1 6 6 VAL CB C 6 34.060 34.060 33.946 0.114 19438 2493 1 4 . 1 1 6 6 VAL H H 6 9.338 9.338 8.646 0.692 19438 2494 1 4 . 1 1 7 7 ILE N N 7 127.540 127.540 130.087 -2.547 19438 2495 1 4 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.121 0.039 19438 2496 1 4 . 1 1 7 7 ILE C C 7 175.260 175.260 173.579 1.681 19438 2497 1 4 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.822 1.388 19438 2498 1 4 . 1 1 7 7 ILE CB C 7 40.100 40.100 41.077 -0.977 19438 2499 1 4 . 1 1 7 7 ILE H H 7 9.295 9.295 9.174 0.121 19438 2500 1 4 . 1 1 8 8 ILE N N 8 126.500 126.500 130.167 -3.667 19438 2501 1 4 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.714 0.048 19438 2502 1 4 . 1 1 8 8 ILE CA C 8 58.790 58.790 57.984 0.806 19438 2503 1 4 . 1 1 8 8 ILE CB C 8 41.100 41.100 39.494 1.606 19438 2504 1 4 . 1 1 8 8 ILE H H 8 9.573 9.573 9.187 0.386 19438 2505 1 4 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.051 0.274 19438 2506 1 4 . 1 1 9 9 PRO C C 9 174.390 174.390 175.616 -1.226 19438 2507 1 4 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.837 -0.767 19438 2508 1 4 . 1 1 9 9 PRO CB C 9 31.600 31.600 31.606 -0.006 19438 2509 1 4 . 1 1 10 10 GLU N N 10 120.480 120.480 122.974 -2.494 19438 2510 1 4 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.913 -0.140 19438 2511 1 4 . 1 1 10 10 GLU C C 10 174.950 174.950 175.541 -0.591 19438 2512 1 4 . 1 1 10 10 GLU CA C 10 55.600 55.600 54.993 0.607 19438 2513 1 4 . 1 1 10 10 GLU CB C 10 33.980 33.980 32.977 1.003 19438 2514 1 4 . 1 1 10 10 GLU H H 10 9.218 9.218 9.373 -0.155 19438 2515 1 4 . 1 1 11 11 SER N N 11 117.470 117.470 121.219 -3.749 19438 2516 1 4 . 1 1 11 11 SER HA H 11 4.686 4.686 4.547 0.139 19438 2517 1 4 . 1 1 11 11 SER C C 11 174.460 174.460 174.798 -0.338 19438 2518 1 4 . 1 1 11 11 SER CA C 11 57.490 57.490 58.069 -0.579 19438 2519 1 4 . 1 1 11 11 SER CB C 11 64.820 64.820 63.884 0.936 19438 2520 1 4 . 1 1 11 11 SER H H 11 8.595 8.595 8.471 0.124 19438 2521 1 4 . 1 1 12 12 PHE N N 12 122.760 122.760 125.771 -3.011 19438 2522 1 4 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.658 0.013 19438 2523 1 4 . 1 1 12 12 PHE C C 12 175.440 175.440 174.974 0.466 19438 2524 1 4 . 1 1 12 12 PHE CA C 12 58.580 58.580 57.696 0.884 19438 2525 1 4 . 1 1 12 12 PHE CB C 12 39.940 39.940 39.119 0.821 19438 2526 1 4 . 1 1 12 12 PHE H H 12 8.298 8.298 8.406 -0.108 19438 2527 1 4 . 1 1 13 13 HIS N N 13 120.600 120.600 123.752 -3.152 19438 2528 1 4 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.912 -0.297 19438 2529 1 4 . 1 1 13 13 HIS C C 13 174.530 174.530 174.925 -0.395 19438 2530 1 4 . 1 1 13 13 HIS CA C 13 55.610 55.610 54.848 0.762 19438 2531 1 4 . 1 1 13 13 HIS CB C 13 31.000 31.000 33.783 -2.783 19438 2532 1 4 . 1 1 13 13 HIS H H 13 8.243 8.243 8.410 -0.167 19438 2533 1 4 . 1 1 14 14 ARG N N 14 122.290 122.290 123.492 -1.202 19438 2534 1 4 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.527 -0.308 19438 2535 1 4 . 1 1 14 14 ARG C C 14 176.070 176.070 176.006 0.064 19438 2536 1 4 . 1 1 14 14 ARG CA C 14 56.580 56.580 55.663 0.917 19438 2537 1 4 . 1 1 14 14 ARG CB C 14 30.790 30.790 29.805 0.985 19438 2538 1 4 . 1 1 14 14 ARG H H 14 8.320 8.320 8.780 -0.460 19438 2539 1 4 . 1 1 15 15 PHE N N 15 120.220 120.220 128.474 -8.254 19438 2540 1 4 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.737 -0.041 19438 2541 1 4 . 1 1 15 15 PHE C C 15 175.550 175.550 174.919 0.631 19438 2542 1 4 . 1 1 15 15 PHE CA C 15 57.630 57.630 58.036 -0.406 19438 2543 1 4 . 1 1 15 15 PHE CB C 15 39.920 39.920 38.926 0.994 19438 2544 1 4 . 1 1 15 15 PHE H H 15 8.409 8.409 8.710 -0.301 19438 2545 1 4 . 1 1 16 16 ASP N N 16 121.370 121.370 128.304 -6.934 19438 2546 1 4 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.375 0.176 19438 2547 1 4 . 1 1 16 16 ASP C C 16 176.590 176.590 176.219 0.371 19438 2548 1 4 . 1 1 16 16 ASP CA C 16 54.180 54.180 55.545 -1.365 19438 2549 1 4 . 1 1 16 16 ASP CB C 16 41.410 41.410 41.413 -0.003 19438 2550 1 4 . 1 1 16 16 ASP H H 16 8.397 8.397 8.293 0.104 19438 2551 1 4 . 1 1 17 17 LYS N N 17 119.880 119.880 118.901 0.979 19438 2552 1 4 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.162 0.005 19438 2553 1 4 . 1 1 17 17 LYS C C 17 176.550 176.550 177.142 -0.592 19438 2554 1 4 . 1 1 17 17 LYS CA C 17 57.110 57.110 57.527 -0.417 19438 2555 1 4 . 1 1 17 17 LYS CB C 17 32.420 32.420 33.590 -1.170 19438 2556 1 4 . 1 1 17 17 LYS H H 17 8.188 8.188 8.504 -0.316 19438 2557 1 4 . 1 1 18 18 HIS N N 18 118.390 118.390 116.256 2.134 19438 2558 1 4 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.684 -0.034 19438 2559 1 4 . 1 1 18 18 HIS C C 18 175.020 175.020 174.850 0.170 19438 2560 1 4 . 1 1 18 18 HIS CA C 18 56.260 56.260 56.556 -0.296 19438 2561 1 4 . 1 1 18 18 HIS CB C 18 30.010 30.010 30.741 -0.731 19438 2562 1 4 . 1 1 18 18 HIS H H 18 8.339 8.339 8.065 0.274 19438 2563 1 4 . 1 1 19 19 ASN N N 19 118.700 118.700 116.207 2.493 19438 2564 1 4 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.754 -0.082 19438 2565 1 4 . 1 1 19 19 ASN C C 19 175.170 175.170 173.803 1.367 19438 2566 1 4 . 1 1 19 19 ASN CA C 19 53.800 53.800 52.744 1.056 19438 2567 1 4 . 1 1 19 19 ASN CB C 19 38.730 38.730 40.682 -1.952 19438 2568 1 4 . 1 1 19 19 ASN H H 19 8.287 8.287 7.873 0.414 19438 2569 1 4 . 1 1 20 20 MET N N 20 120.140 120.140 115.589 4.551 19438 2570 1 4 . 1 1 20 20 MET HA H 20 4.475 4.475 4.174 0.301 19438 2571 1 4 . 1 1 20 20 MET C C 20 176.470 176.470 173.661 2.809 19438 2572 1 4 . 1 1 20 20 MET CA C 20 55.640 55.640 56.267 -0.627 19438 2573 1 4 . 1 1 20 20 MET CB C 20 33.500 33.500 30.946 2.554 19438 2574 1 4 . 1 1 20 20 MET H H 20 8.495 8.495 8.746 -0.251 19438 2575 1 4 . 1 1 21 21 GLU N N 21 120.920 120.920 117.265 3.655 19438 2576 1 4 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.726 -0.525 19438 2577 1 4 . 1 1 21 21 GLU C C 21 176.380 176.380 173.712 2.668 19438 2578 1 4 . 1 1 21 21 GLU CA C 21 57.330 57.330 55.620 1.710 19438 2579 1 4 . 1 1 21 21 GLU CB C 21 30.080 30.080 32.110 -2.030 19438 2580 1 4 . 1 1 21 21 GLU H H 21 8.450 8.450 8.078 0.372 19438 2581 1 4 . 1 1 22 22 HIS N N 22 119.650 119.650 126.673 -7.023 19438 2582 1 4 . 1 1 22 22 HIS HA H 22 4.687 4.687 4.986 -0.299 19438 2583 1 4 . 1 1 22 22 HIS C C 22 174.470 174.470 173.282 1.188 19438 2584 1 4 . 1 1 22 22 HIS CA C 22 55.980 55.980 54.852 1.128 19438 2585 1 4 . 1 1 22 22 HIS CB C 22 30.530 30.530 30.398 0.132 19438 2586 1 4 . 1 1 22 22 HIS H H 22 8.334 8.334 8.266 0.068 19438 2587 1 4 . 1 1 23 23 ILE N N 23 121.910 121.910 124.906 -2.996 19438 2588 1 4 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.253 -0.102 19438 2589 1 4 . 1 1 23 23 ILE C C 23 175.870 175.870 174.067 1.803 19438 2590 1 4 . 1 1 23 23 ILE CA C 23 61.170 61.170 58.911 2.259 19438 2591 1 4 . 1 1 23 23 ILE CB C 23 38.850 38.850 38.452 0.398 19438 2592 1 4 . 1 1 23 23 ILE H H 23 7.782 7.782 8.011 -0.229 19438 2593 1 4 . 1 1 24 24 CYS N N 24 124.920 124.920 127.229 -2.309 19438 2594 1 4 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.762 0.032 19438 2595 1 4 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.891 -3.761 19438 2596 1 4 . 1 1 24 24 CYS CB C 24 42.470 42.470 28.327 14.143 19438 2597 1 4 . 1 1 24 24 CYS H H 24 8.697 8.697 8.345 0.352 19438 2598 1 4 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.377 0.353 19438 2599 1 4 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.416 0.338 19438 2600 1 4 . 1 1 26 26 PRO C C 26 175.820 175.820 175.813 0.007 19438 2601 1 4 . 1 1 26 26 PRO CA C 26 62.580 62.580 63.086 -0.506 19438 2602 1 4 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.493 0.097 19438 2603 1 4 . 1 1 27 27 MET N N 27 120.580 120.580 122.663 -2.083 19438 2604 1 4 . 1 1 27 27 MET HA H 27 5.180 5.180 5.305 -0.125 19438 2605 1 4 . 1 1 27 27 MET C C 27 174.810 174.810 175.487 -0.677 19438 2606 1 4 . 1 1 27 27 MET CA C 27 53.270 53.270 53.327 -0.057 19438 2607 1 4 . 1 1 27 27 MET CB C 27 34.580 34.580 33.388 1.192 19438 2608 1 4 . 1 1 27 27 MET H H 27 9.055 9.055 8.859 0.196 19438 2609 1 4 . 1 1 28 28 VAL N N 28 122.030 122.030 123.790 -1.760 19438 2610 1 4 . 1 1 28 28 VAL HA H 28 5.093 5.093 4.888 0.205 19438 2611 1 4 . 1 1 28 28 VAL C C 28 175.710 175.710 174.776 0.934 19438 2612 1 4 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.616 -0.966 19438 2613 1 4 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.465 1.005 19438 2614 1 4 . 1 1 28 28 VAL H H 28 8.575 8.575 8.523 0.052 19438 2615 1 4 . 1 1 29 29 ILE N N 29 129.440 129.440 127.054 2.386 19438 2616 1 4 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.474 -0.108 19438 2617 1 4 . 1 1 29 29 ILE C C 29 176.490 176.490 174.800 1.690 19438 2618 1 4 . 1 1 29 29 ILE CA C 29 61.260 61.260 60.010 1.250 19438 2619 1 4 . 1 1 29 29 ILE CB C 29 37.960 37.960 39.513 -1.553 19438 2620 1 4 . 1 1 29 29 ILE H H 29 9.200 9.200 9.098 0.102 19438 2621 1 4 . 1 1 30 30 GLY N N 30 112.580 112.580 114.356 -1.776 19438 2622 1 4 . 1 1 30 30 GLY C C 30 175.350 175.350 173.704 1.646 19438 2623 1 4 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.654 1.456 19438 2624 1 4 . 1 1 30 30 GLY H H 30 8.525 8.525 8.708 -0.183 19438 2625 1 4 . 1 1 31 31 ASP N N 31 121.320 121.320 121.211 0.109 19438 2626 1 4 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.694 -0.591 19438 2627 1 4 . 1 1 31 31 ASP C C 31 175.530 175.530 175.746 -0.216 19438 2628 1 4 . 1 1 31 31 ASP CA C 31 55.530 55.530 53.683 1.847 19438 2629 1 4 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.470 -1.850 19438 2630 1 4 . 1 1 31 31 ASP H H 31 9.133 9.133 8.015 1.118 19438 2631 1 4 . 1 1 32 32 ARG N N 32 117.600 117.600 120.682 -3.082 19438 2632 1 4 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.935 0.096 19438 2633 1 4 . 1 1 32 32 ARG C C 32 177.060 177.060 175.813 1.247 19438 2634 1 4 . 1 1 32 32 ARG CA C 32 52.790 52.790 53.810 -1.020 19438 2635 1 4 . 1 1 32 32 ARG CB C 32 34.650 34.650 32.752 1.898 19438 2636 1 4 . 1 1 32 32 ARG H H 32 9.529 9.529 7.807 1.722 19438 2637 1 4 . 1 1 33 33 SER N N 33 116.150 116.150 118.018 -1.868 19438 2638 1 4 . 1 1 33 33 SER HA H 33 4.819 4.819 5.356 -0.537 19438 2639 1 4 . 1 1 33 33 SER C C 33 174.290 174.290 175.728 -1.438 19438 2640 1 4 . 1 1 33 33 SER CA C 33 58.130 58.130 57.600 0.530 19438 2641 1 4 . 1 1 33 33 SER CB C 33 64.530 64.530 64.686 -0.156 19438 2642 1 4 . 1 1 33 33 SER H H 33 8.400 8.400 8.719 -0.319 19438 2643 1 4 . 1 1 34 34 TYR N N 34 122.110 122.110 122.359 -0.249 19438 2644 1 4 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.617 -0.232 19438 2645 1 4 . 1 1 34 34 TYR C C 34 176.280 176.280 176.934 -0.654 19438 2646 1 4 . 1 1 34 34 TYR CA C 34 63.060 63.060 63.538 -0.478 19438 2647 1 4 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.362 -0.013 19438 2648 1 4 . 1 1 34 34 TYR H H 34 9.456 9.456 8.943 0.513 19438 2649 1 4 . 1 1 35 35 ASP N N 35 114.640 114.640 118.328 -3.688 19438 2650 1 4 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.329 -0.263 19438 2651 1 4 . 1 1 35 35 ASP C C 35 179.460 179.460 178.239 1.221 19438 2652 1 4 . 1 1 35 35 ASP CA C 35 57.380 57.380 57.118 0.262 19438 2653 1 4 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.462 -0.622 19438 2654 1 4 . 1 1 35 35 ASP H H 35 8.611 8.611 8.558 0.053 19438 2655 1 4 . 1 1 36 36 ILE N N 36 120.860 120.860 120.381 0.479 19438 2656 1 4 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.761 0.087 19438 2657 1 4 . 1 1 36 36 ILE C C 36 178.000 178.000 177.591 0.409 19438 2658 1 4 . 1 1 36 36 ILE CA C 36 62.660 62.660 64.203 -1.543 19438 2659 1 4 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.846 -1.146 19438 2660 1 4 . 1 1 36 36 ILE H H 36 7.298 7.298 7.306 -0.008 19438 2661 1 4 . 1 1 37 37 ALA N N 37 123.260 123.260 123.706 -0.446 19438 2662 1 4 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.941 -0.209 19438 2663 1 4 . 1 1 37 37 ALA C C 37 179.720 179.720 179.316 0.404 19438 2664 1 4 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.422 0.298 19438 2665 1 4 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.299 -0.319 19438 2666 1 4 . 1 1 37 37 ALA H H 37 8.906 8.906 8.653 0.253 19438 2667 1 4 . 1 1 38 38 MET N N 38 114.900 114.900 117.011 -2.111 19438 2668 1 4 . 1 1 38 38 MET HA H 38 4.282 4.282 4.025 0.257 19438 2669 1 4 . 1 1 38 38 MET C C 38 178.940 178.940 178.297 0.643 19438 2670 1 4 . 1 1 38 38 MET CA C 38 55.940 55.940 59.099 -3.159 19438 2671 1 4 . 1 1 38 38 MET CB C 38 29.570 29.570 32.483 -2.913 19438 2672 1 4 . 1 1 38 38 MET H H 38 8.237 8.237 7.747 0.490 19438 2673 1 4 . 1 1 39 39 GLU N N 39 120.020 120.020 120.955 -0.935 19438 2674 1 4 . 1 1 39 39 GLU HA H 39 4.101 4.101 3.937 0.164 19438 2675 1 4 . 1 1 39 39 GLU C C 39 180.880 180.880 178.754 2.126 19438 2676 1 4 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.434 0.196 19438 2677 1 4 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.909 -0.859 19438 2678 1 4 . 1 1 39 39 GLU H H 39 7.517 7.517 8.136 -0.619 19438 2679 1 4 . 1 1 40 40 ILE N N 40 122.000 122.000 120.669 1.331 19438 2680 1 4 . 1 1 40 40 ILE HA H 40 3.710 3.710 3.786 -0.076 19438 2681 1 4 . 1 1 40 40 ILE C C 40 177.890 177.890 177.535 0.355 19438 2682 1 4 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.076 1.164 19438 2683 1 4 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.194 -1.294 19438 2684 1 4 . 1 1 40 40 ILE H H 40 8.220 8.220 8.270 -0.050 19438 2685 1 4 . 1 1 41 41 VAL N N 41 120.760 120.760 120.008 0.752 19438 2686 1 4 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.468 -0.082 19438 2687 1 4 . 1 1 41 41 VAL C C 41 179.090 179.090 177.549 1.541 19438 2688 1 4 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.068 0.792 19438 2689 1 4 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.309 0.021 19438 2690 1 4 . 1 1 41 41 VAL H H 41 8.737 8.737 7.800 0.937 19438 2691 1 4 . 1 1 42 42 ASN N N 42 119.950 119.950 118.264 1.686 19438 2692 1 4 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.515 0.092 19438 2693 1 4 . 1 1 42 42 ASN C C 42 178.080 178.080 177.727 0.353 19438 2694 1 4 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.177 -0.297 19438 2695 1 4 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.538 -1.048 19438 2696 1 4 . 1 1 42 42 ASN H H 42 8.542 8.542 8.488 0.054 19438 2697 1 4 . 1 1 43 43 GLY N N 43 112.070 112.070 109.171 2.899 19438 2698 1 4 . 1 1 43 43 GLY C C 43 176.070 176.070 176.165 -0.095 19438 2699 1 4 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.087 0.503 19438 2700 1 4 . 1 1 43 43 GLY H H 43 8.387 8.387 8.238 0.149 19438 2701 1 4 . 1 1 44 44 VAL N N 44 122.900 122.900 122.178 0.722 19438 2702 1 4 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.544 -0.017 19438 2703 1 4 . 1 1 44 44 VAL C C 44 176.700 176.700 177.048 -0.348 19438 2704 1 4 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.549 0.290 19438 2705 1 4 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.475 -0.225 19438 2706 1 4 . 1 1 44 44 VAL H H 44 9.078 9.078 8.060 1.018 19438 2707 1 4 . 1 1 45 45 ASP N N 45 119.070 119.070 120.092 -1.022 19438 2708 1 4 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.278 -0.086 19438 2709 1 4 . 1 1 45 45 ASP C C 45 176.540 176.540 178.591 -2.051 19438 2710 1 4 . 1 1 45 45 ASP CA C 45 58.490 58.490 58.301 0.189 19438 2711 1 4 . 1 1 45 45 ASP CB C 45 42.940 42.940 40.981 1.959 19438 2712 1 4 . 1 1 45 45 ASP H H 45 7.745 7.745 8.602 -0.857 19438 2713 1 4 . 1 1 46 46 ARG N N 46 115.750 115.750 118.568 -2.818 19438 2714 1 4 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.218 -0.224 19438 2715 1 4 . 1 1 46 46 ARG C C 46 179.760 179.760 179.057 0.703 19438 2716 1 4 . 1 1 46 46 ARG CA C 46 59.630 59.630 58.607 1.023 19438 2717 1 4 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.429 -0.239 19438 2718 1 4 . 1 1 46 46 ARG H H 46 7.557 7.557 8.044 -0.487 19438 2719 1 4 . 1 1 47 47 VAL N N 47 118.740 118.740 119.989 -1.249 19438 2720 1 4 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.863 0.049 19438 2721 1 4 . 1 1 47 47 VAL C C 47 179.150 179.150 177.446 1.704 19438 2722 1 4 . 1 1 47 47 VAL CA C 47 66.040 66.040 65.436 0.604 19438 2723 1 4 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.888 -0.118 19438 2724 1 4 . 1 1 47 47 VAL H H 47 8.187 8.187 7.631 0.556 19438 2725 1 4 . 1 1 48 48 ILE N N 48 122.340 122.340 120.163 2.177 19438 2726 1 4 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.844 -0.147 19438 2727 1 4 . 1 1 48 48 ILE C C 48 178.130 178.130 178.026 0.104 19438 2728 1 4 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.571 1.069 19438 2729 1 4 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.506 -0.876 19438 2730 1 4 . 1 1 48 48 ILE H H 48 8.786 8.786 8.578 0.208 19438 2731 1 4 . 1 1 49 49 LYS N N 49 116.860 116.860 119.892 -3.032 19438 2732 1 4 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.206 -0.147 19438 2733 1 4 . 1 1 49 49 LYS C C 49 178.120 178.120 176.787 1.333 19438 2734 1 4 . 1 1 49 49 LYS CA C 49 60.270 60.270 59.155 1.115 19438 2735 1 4 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.249 0.851 19438 2736 1 4 . 1 1 49 49 LYS H H 49 7.785 7.785 8.549 -0.764 19438 2737 1 4 . 1 1 50 50 ALA N N 50 117.520 117.520 121.578 -4.058 19438 2738 1 4 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.405 -0.049 19438 2739 1 4 . 1 1 50 50 ALA C C 50 179.940 179.940 179.346 0.594 19438 2740 1 4 . 1 1 50 50 ALA CA C 50 53.960 53.960 53.738 0.222 19438 2741 1 4 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.713 -0.353 19438 2742 1 4 . 1 1 50 50 ALA H H 50 7.740 7.740 7.229 0.511 19438 2743 1 4 . 1 1 51 51 SER N N 51 111.860 111.860 114.719 -2.859 19438 2744 1 4 . 1 1 51 51 SER HA H 51 4.287 4.287 4.274 0.013 19438 2745 1 4 . 1 1 51 51 SER C C 51 172.840 172.840 174.357 -1.517 19438 2746 1 4 . 1 1 51 51 SER CA C 51 60.610 60.610 60.531 0.080 19438 2747 1 4 . 1 1 51 51 SER CB C 51 64.500 64.500 63.837 0.663 19438 2748 1 4 . 1 1 51 51 SER H H 51 7.957 7.957 8.382 -0.425 19438 2749 1 4 . 1 1 52 52 PHE N N 52 116.210 116.210 116.621 -0.411 19438 2750 1 4 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.633 0.144 19438 2751 1 4 . 1 1 52 52 PHE C C 52 174.210 174.210 174.453 -0.243 19438 2752 1 4 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.463 -0.173 19438 2753 1 4 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.523 1.057 19438 2754 1 4 . 1 1 52 52 PHE H H 52 7.901 7.901 7.901 0.000 19438 2755 1 4 . 1 1 53 53 ASN N N 53 117.890 117.890 120.332 -2.442 19438 2756 1 4 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.823 0.079 19438 2757 1 4 . 1 1 53 53 ASN C C 53 175.120 175.120 173.642 1.478 19438 2758 1 4 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.649 1.301 19438 2759 1 4 . 1 1 53 53 ASN CB C 53 37.550 37.550 38.719 -1.169 19438 2760 1 4 . 1 1 53 53 ASN H H 53 8.205 8.205 8.925 -0.720 19438 2761 1 4 . 1 1 54 54 ALA N N 54 125.300 125.300 127.729 -2.429 19438 2762 1 4 . 1 1 54 54 ALA HA H 54 5.441 5.441 4.941 0.500 19438 2763 1 4 . 1 1 54 54 ALA C C 54 176.800 176.800 176.446 0.354 19438 2764 1 4 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.576 0.984 19438 2765 1 4 . 1 1 54 54 ALA CB C 54 24.080 24.080 21.651 2.429 19438 2766 1 4 . 1 1 54 54 ALA H H 54 8.246 8.246 8.107 0.139 19438 2767 1 4 . 1 1 55 55 SER N N 55 115.850 115.850 119.025 -3.175 19438 2768 1 4 . 1 1 55 55 SER HA H 55 4.789 4.789 4.996 -0.207 19438 2769 1 4 . 1 1 55 55 SER C C 55 172.830 172.830 173.311 -0.481 19438 2770 1 4 . 1 1 55 55 SER CA C 55 57.200 57.200 56.809 0.391 19438 2771 1 4 . 1 1 55 55 SER CB C 55 65.460 65.460 64.329 1.131 19438 2772 1 4 . 1 1 55 55 SER H H 55 8.606 8.606 8.938 -0.332 19438 2773 1 4 . 1 1 56 56 VAL N N 56 121.700 121.700 127.157 -5.457 19438 2774 1 4 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.356 0.438 19438 2775 1 4 . 1 1 56 56 VAL C C 56 173.160 173.160 174.987 -1.827 19438 2776 1 4 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.514 -0.504 19438 2777 1 4 . 1 1 56 56 VAL CB C 56 35.570 35.570 33.558 2.012 19438 2778 1 4 . 1 1 56 56 VAL H H 56 8.648 8.648 8.735 -0.087 19438 2779 1 4 . 1 1 57 57 GLU N N 57 126.130 126.130 129.239 -3.109 19438 2780 1 4 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.698 -0.186 19438 2781 1 4 . 1 1 57 57 GLU C C 57 174.090 174.090 175.138 -1.048 19438 2782 1 4 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.404 0.146 19438 2783 1 4 . 1 1 57 57 GLU CB C 57 33.910 33.910 31.768 2.142 19438 2784 1 4 . 1 1 57 57 GLU H H 57 8.122 8.122 9.059 -0.937 19438 2785 1 4 . 1 1 58 58 GLU N N 58 124.740 124.740 125.282 -0.542 19438 2786 1 4 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.750 -0.063 19438 2787 1 4 . 1 1 58 58 GLU C C 58 175.410 175.410 175.549 -0.139 19438 2788 1 4 . 1 1 58 58 GLU CA C 58 55.990 55.990 56.026 -0.036 19438 2789 1 4 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.991 -0.662 19438 2790 1 4 . 1 1 58 58 GLU H H 58 8.610 8.610 8.724 -0.114 19438 2791 1 4 . 1 1 59 59 LEU N N 59 126.780 126.780 125.696 1.084 19438 2792 1 4 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.652 0.059 19438 2793 1 4 . 1 1 59 59 LEU C C 59 175.970 175.970 175.820 0.150 19438 2794 1 4 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.256 0.524 19438 2795 1 4 . 1 1 59 59 LEU CB C 59 45.320 45.320 45.805 -0.485 19438 2796 1 4 . 1 1 59 59 LEU H H 59 8.259 8.259 8.858 -0.599 19438 2797 1 4 . 1 1 60 60 GLU N N 60 119.810 119.810 118.754 1.056 19438 2798 1 4 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.538 -0.190 19438 2799 1 4 . 1 1 60 60 GLU C C 60 177.560 177.560 176.214 1.346 19438 2800 1 4 . 1 1 60 60 GLU CA C 60 57.340 57.340 55.185 2.155 19438 2801 1 4 . 1 1 60 60 GLU CB C 60 30.260 30.260 31.129 -0.869 19438 2802 1 4 . 1 1 60 60 GLU H H 60 8.258 8.258 8.283 -0.025 19438 2803 1 4 . 1 1 61 61 GLY N N 61 117.720 117.720 111.220 6.500 19438 2804 1 4 . 1 1 61 61 GLY C C 61 174.320 174.320 174.422 -0.102 19438 2805 1 4 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.347 0.223 19438 2806 1 4 . 1 1 61 61 GLY H H 61 8.726 8.726 8.525 0.201 19438 2807 1 4 . 1 1 62 62 GLU N N 62 121.700 121.700 119.430 2.270 19438 2808 1 4 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.267 0.264 19438 2809 1 4 . 1 1 62 62 GLU C C 62 177.690 177.690 176.602 1.088 19438 2810 1 4 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.393 -0.843 19438 2811 1 4 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.477 0.823 19438 2812 1 4 . 1 1 62 62 GLU H H 62 9.337 9.337 8.691 0.646 19438 2813 1 4 . 1 1 63 63 ASP N N 63 120.760 120.760 119.465 1.295 19438 2814 1 4 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.463 -0.133 19438 2815 1 4 . 1 1 63 63 ASP C C 63 178.080 178.080 178.199 -0.119 19438 2816 1 4 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.490 0.440 19438 2817 1 4 . 1 1 63 63 ASP CB C 63 40.770 40.770 41.035 -0.265 19438 2818 1 4 . 1 1 63 63 ASP H H 63 8.632 8.632 8.579 0.053 19438 2819 1 4 . 1 1 64 64 CYS N N 64 113.520 113.520 116.620 -3.100 19438 2820 1 4 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.530 -0.098 19438 2821 1 4 . 1 1 64 64 CYS C C 64 173.700 173.700 174.445 -0.745 19438 2822 1 4 . 1 1 64 64 CYS CA C 64 57.170 57.170 59.185 -2.015 19438 2823 1 4 . 1 1 64 64 CYS CB C 64 41.210 41.210 26.115 15.095 19438 2824 1 4 . 1 1 64 64 CYS H H 64 7.962 7.962 8.348 -0.386 19438 2825 1 4 . 1 1 65 65 ASP N N 65 120.200 120.200 118.586 1.614 19438 2826 1 4 . 1 1 65 65 ASP HA H 65 5.190 5.190 4.814 0.376 19438 2827 1 4 . 1 1 65 65 ASP C C 65 176.540 176.540 176.696 -0.156 19438 2828 1 4 . 1 1 65 65 ASP CA C 65 54.310 54.310 54.434 -0.124 19438 2829 1 4 . 1 1 65 65 ASP CB C 65 41.150 41.150 42.220 -1.070 19438 2830 1 4 . 1 1 65 65 ASP H H 65 7.936 7.936 7.724 0.212 19438 2831 1 4 . 1 1 66 66 VAL N N 66 122.070 122.070 118.833 3.237 19438 2832 1 4 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.314 -0.047 19438 2833 1 4 . 1 1 66 66 VAL C C 66 176.000 176.000 175.677 0.323 19438 2834 1 4 . 1 1 66 66 VAL CA C 66 63.190 63.190 63.081 0.109 19438 2835 1 4 . 1 1 66 66 VAL CB C 66 32.430 32.430 33.740 -1.310 19438 2836 1 4 . 1 1 66 66 VAL H H 66 9.431 9.431 9.098 0.333 19438 2837 1 4 . 1 1 67 67 LEU N N 67 119.700 119.700 119.077 0.623 19438 2838 1 4 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.696 -0.057 19438 2839 1 4 . 1 1 67 67 LEU C C 67 174.400 174.400 173.750 0.650 19438 2840 1 4 . 1 1 67 67 LEU CA C 67 55.100 55.100 55.076 0.024 19438 2841 1 4 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.533 -0.513 19438 2842 1 4 . 1 1 67 67 LEU H H 67 7.625 7.625 7.695 -0.070 19438 2843 1 4 . 1 1 68 68 TYR N N 68 126.330 126.330 124.568 1.762 19438 2844 1 4 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.566 0.284 19438 2845 1 4 . 1 1 68 68 TYR C C 68 173.460 173.460 173.621 -0.161 19438 2846 1 4 . 1 1 68 68 TYR CA C 68 54.660 54.660 55.641 -0.981 19438 2847 1 4 . 1 1 68 68 TYR CB C 68 38.140 38.140 42.227 -4.087 19438 2848 1 4 . 1 1 68 68 TYR H H 68 9.086 9.086 8.631 0.455 19438 2849 1 4 . 1 1 69 69 ARG N N 69 127.440 127.440 126.288 1.152 19438 2850 1 4 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.166 -0.306 19438 2851 1 4 . 1 1 69 69 ARG C C 69 173.030 173.030 174.835 -1.805 19438 2852 1 4 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.853 -0.423 19438 2853 1 4 . 1 1 69 69 ARG CB C 69 35.030 35.030 34.592 0.438 19438 2854 1 4 . 1 1 69 69 ARG H H 69 9.569 9.569 9.519 0.050 19438 2855 1 4 . 1 1 70 70 LYS N N 70 122.850 122.850 124.794 -1.944 19438 2856 1 4 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.291 -0.286 19438 2857 1 4 . 1 1 70 70 LYS C C 70 175.830 175.830 175.368 0.462 19438 2858 1 4 . 1 1 70 70 LYS CA C 70 54.690 54.690 55.624 -0.935 19438 2859 1 4 . 1 1 70 70 LYS CB C 70 36.040 36.040 34.250 1.790 19438 2860 1 4 . 1 1 70 70 LYS H H 70 8.612 8.612 9.149 -0.537 19438 2861 1 4 . 1 1 71 71 TYR N N 71 129.420 129.420 126.333 3.087 19438 2862 1 4 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.153 0.149 19438 2863 1 4 . 1 1 71 71 TYR C C 71 175.710 175.710 176.015 -0.305 19438 2864 1 4 . 1 1 71 71 TYR CA C 71 56.960 56.960 57.058 -0.098 19438 2865 1 4 . 1 1 71 71 TYR CB C 71 40.330 40.330 38.890 1.440 19438 2866 1 4 . 1 1 71 71 TYR H H 71 9.762 9.762 9.475 0.287 19438 2867 1 4 . 1 1 72 72 THR N N 72 119.820 119.820 123.392 -3.572 19438 2868 1 4 . 1 1 72 72 THR HA H 72 4.707 4.707 4.756 -0.049 19438 2869 1 4 . 1 1 72 72 THR C C 72 173.860 173.860 173.488 0.372 19438 2870 1 4 . 1 1 72 72 THR CA C 72 63.250 63.250 63.025 0.225 19438 2871 1 4 . 1 1 72 72 THR CB C 72 69.370 69.370 69.105 0.265 19438 2872 1 4 . 1 1 72 72 THR H H 72 8.845 8.845 9.370 -0.525 19438 2873 1 4 . 1 1 73 73 LEU N N 73 125.420 125.420 127.861 -2.441 19438 2874 1 4 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.579 -0.450 19438 2875 1 4 . 1 1 73 73 LEU C C 73 175.760 175.760 175.613 0.147 19438 2876 1 4 . 1 1 73 73 LEU CA C 73 54.080 54.080 52.588 1.492 19438 2877 1 4 . 1 1 73 73 LEU CB C 73 45.350 45.350 44.066 1.284 19438 2878 1 4 . 1 1 73 73 LEU H H 73 8.929 8.929 9.379 -0.450 19438 2879 1 4 . 1 1 74 74 GLU N N 74 120.090 120.090 121.413 -1.323 19438 2880 1 4 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.107 0.107 19438 2881 1 4 . 1 1 74 74 GLU C C 74 175.400 175.400 175.333 0.067 19438 2882 1 4 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.538 0.202 19438 2883 1 4 . 1 1 74 74 GLU CB C 74 33.040 33.040 32.578 0.462 19438 2884 1 4 . 1 1 74 74 GLU H H 74 8.311 8.311 8.910 -0.599 19438 2885 1 4 . 1 1 75 75 LYS N N 75 124.230 124.230 128.805 -4.575 19438 2886 1 4 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.623 -0.150 19438 2887 1 4 . 1 1 75 75 LYS C C 75 175.380 175.380 176.394 -1.014 19438 2888 1 4 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.093 2.967 19438 2889 1 4 . 1 1 75 75 LYS CB C 75 35.740 35.740 32.232 3.508 19438 2890 1 4 . 1 1 75 75 LYS H H 75 8.691 8.691 9.060 -0.369 19438 2891 1 4 . 1 1 76 76 GLU N N 76 127.760 127.760 125.876 1.884 19438 2892 1 4 . 1 1 76 76 GLU HA H 76 3.903 3.903 3.997 -0.094 19438 2893 1 4 . 1 1 76 76 GLU C C 76 176.190 176.190 176.189 0.001 19438 2894 1 4 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.328 0.122 19438 2895 1 4 . 1 1 76 76 GLU CB C 76 27.830 27.830 27.730 0.100 19438 2896 1 4 . 1 1 76 76 GLU H H 76 9.556 9.556 8.909 0.647 19438 2897 1 4 . 1 1 77 77 GLY N N 77 106.560 106.560 108.896 -2.336 19438 2898 1 4 . 1 1 77 77 GLY C C 77 174.320 174.320 174.181 0.139 19438 2899 1 4 . 1 1 77 77 GLY CA C 77 45.640 45.640 44.749 0.891 19438 2900 1 4 . 1 1 77 77 GLY H H 77 8.928 8.928 8.384 0.544 19438 2901 1 4 . 1 1 78 78 LYS N N 78 121.600 121.600 124.570 -2.970 19438 2902 1 4 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.370 0.215 19438 2903 1 4 . 1 1 78 78 LYS C C 78 175.240 175.240 175.118 0.122 19438 2904 1 4 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.420 -0.040 19438 2905 1 4 . 1 1 78 78 LYS CB C 78 33.490 33.490 32.444 1.046 19438 2906 1 4 . 1 1 78 78 LYS H H 78 8.015 8.015 7.875 0.140 19438 2907 1 4 . 1 1 79 79 LYS N N 79 120.990 120.990 123.136 -2.146 19438 2908 1 4 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.053 0.146 19438 2909 1 4 . 1 1 79 79 LYS C C 79 176.150 176.150 175.378 0.772 19438 2910 1 4 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.289 0.781 19438 2911 1 4 . 1 1 79 79 LYS CB C 79 35.080 35.080 34.627 0.453 19438 2912 1 4 . 1 1 79 79 LYS H H 79 8.438 8.438 7.822 0.616 19438 2913 1 4 . 1 1 80 80 GLY N N 80 107.840 107.840 110.378 -2.538 19438 2914 1 4 . 1 1 80 80 GLY C C 80 170.430 170.430 171.603 -1.173 19438 2915 1 4 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.254 0.006 19438 2916 1 4 . 1 1 80 80 GLY H H 80 8.391 8.391 8.496 -0.105 19438 2917 1 4 . 1 1 81 81 ILE N N 81 120.670 120.670 118.327 2.343 19438 2918 1 4 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.234 0.049 19438 2919 1 4 . 1 1 81 81 ILE C C 81 175.210 175.210 174.618 0.592 19438 2920 1 4 . 1 1 81 81 ILE CA C 81 58.640 58.640 59.362 -0.722 19438 2921 1 4 . 1 1 81 81 ILE CB C 81 42.420 42.420 42.059 0.361 19438 2922 1 4 . 1 1 81 81 ILE H H 81 8.623 8.623 8.983 -0.360 19438 2923 1 4 . 1 1 82 82 VAL N N 82 121.970 121.970 124.326 -2.356 19438 2924 1 4 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.710 0.004 19438 2925 1 4 . 1 1 82 82 VAL C C 82 174.230 174.230 175.057 -0.827 19438 2926 1 4 . 1 1 82 82 VAL CA C 82 61.010 61.010 60.454 0.556 19438 2927 1 4 . 1 1 82 82 VAL CB C 82 35.260 35.260 32.607 2.653 19438 2928 1 4 . 1 1 82 82 VAL H H 82 8.967 8.967 9.064 -0.097 19438 2929 1 4 . 1 1 83 83 HIS N N 83 129.690 129.690 128.046 1.644 19438 2930 1 4 . 1 1 83 83 HIS HA H 83 5.219 5.219 5.289 -0.070 19438 2931 1 4 . 1 1 83 83 HIS C C 83 174.960 174.960 174.634 0.326 19438 2932 1 4 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.592 0.848 19438 2933 1 4 . 1 1 83 83 HIS CB C 83 32.240 32.240 30.588 1.652 19438 2934 1 4 . 1 1 83 83 HIS H H 83 8.960 8.960 9.361 -0.401 19438 2935 1 4 . 1 1 84 84 VAL N N 84 125.620 125.620 127.247 -1.627 19438 2936 1 4 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.597 0.529 19438 2937 1 4 . 1 1 84 84 VAL C C 84 174.590 174.590 174.741 -0.151 19438 2938 1 4 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.955 0.275 19438 2939 1 4 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.393 1.627 19438 2940 1 4 . 1 1 84 84 VAL H H 84 9.834 9.834 9.381 0.453 19438 2941 1 4 . 1 1 85 85 LYS N N 85 125.370 125.370 127.329 -1.959 19438 2942 1 4 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.228 0.236 19438 2943 1 4 . 1 1 85 85 LYS C C 85 174.890 174.890 175.241 -0.351 19438 2944 1 4 . 1 1 85 85 LYS CA C 85 54.210 54.210 54.303 -0.094 19438 2945 1 4 . 1 1 85 85 LYS CB C 85 36.430 36.430 35.985 0.445 19438 2946 1 4 . 1 1 85 85 LYS H H 85 9.517 9.517 9.121 0.396 19438 2947 1 4 . 1 1 86 86 LEU N N 86 123.830 123.830 123.740 0.090 19438 2948 1 4 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.729 0.418 19438 2949 1 4 . 1 1 86 86 LEU C C 86 174.760 174.760 175.756 -0.996 19438 2950 1 4 . 1 1 86 86 LEU CA C 86 54.210 54.210 53.922 0.288 19438 2951 1 4 . 1 1 86 86 LEU CB C 86 44.830 44.830 43.089 1.741 19438 2952 1 4 . 1 1 86 86 LEU H H 86 8.400 8.400 9.036 -0.636 19438 2953 1 4 . 1 1 87 87 ARG N N 87 128.610 128.610 123.016 5.594 19438 2954 1 4 . 1 1 87 87 ARG HA H 87 5.473 5.473 4.811 0.662 19438 2955 1 4 . 1 1 87 87 ARG C C 87 176.130 176.130 175.269 0.861 19438 2956 1 4 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.395 0.575 19438 2957 1 4 . 1 1 87 87 ARG CB C 87 34.230 34.230 33.738 0.492 19438 2958 1 4 . 1 1 87 87 ARG H H 87 9.647 9.647 9.444 0.203 19438 2959 1 4 . 1 1 88 88 LYS N N 88 122.810 122.810 121.576 1.234 19438 2960 1 4 . 1 1 88 88 LYS HA H 88 4.138 4.138 4.401 -0.263 19438 2961 1 4 . 1 1 88 88 LYS C C 88 174.890 174.890 175.240 -0.350 19438 2962 1 4 . 1 1 88 88 LYS CA C 88 56.330 56.330 55.172 1.158 19438 2963 1 4 . 1 1 88 88 LYS CB C 88 34.310 34.310 32.818 1.492 19438 2964 1 4 . 1 1 88 88 LYS H H 88 8.510 8.510 8.518 -0.008 19438 2965 1 4 . 1 1 89 89 ILE N N 89 120.880 120.880 128.263 -7.383 19438 2966 1 4 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.438 0.193 19438 2967 1 4 . 1 1 89 89 ILE C C 89 176.400 176.400 174.328 2.072 19438 2968 1 4 . 1 1 89 89 ILE CA C 89 60.670 60.670 60.896 -0.226 19438 2969 1 4 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.681 -0.961 19438 2970 1 4 . 1 1 89 89 ILE H H 89 7.470 7.470 8.235 -0.765 19438 2971 1 4 . 1 1 90 90 THR N N 90 116.610 116.610 121.956 -5.346 19438 2972 1 4 . 1 1 90 90 THR HA H 90 4.700 4.700 4.642 0.058 19438 2973 1 4 . 1 1 90 90 THR CA C 90 59.100 59.100 60.423 -1.323 19438 2974 1 4 . 1 1 90 90 THR CB C 90 72.600 72.600 71.710 0.890 19438 2975 1 4 . 1 1 90 90 THR H H 90 7.701 7.701 8.293 -0.592 19438 2976 1 4 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.077 -0.047 19438 2977 1 4 . 1 1 91 91 GLU C C 91 177.100 177.100 176.318 0.782 19438 2978 1 4 . 1 1 91 91 GLU CA C 91 59.640 59.640 58.788 0.852 19438 2979 1 4 . 1 1 91 91 GLU CB C 91 29.050 29.050 28.494 0.556 19438 2980 1 4 . 1 1 92 92 ASN N N 92 113.650 113.650 115.496 -1.846 19438 2981 1 4 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.712 -0.012 19438 2982 1 4 . 1 1 92 92 ASN C C 92 174.100 174.100 174.575 -0.475 19438 2983 1 4 . 1 1 92 92 ASN CA C 92 53.490 53.490 54.044 -0.554 19438 2984 1 4 . 1 1 92 92 ASN CB C 92 39.270 39.270 39.197 0.073 19438 2985 1 4 . 1 1 92 92 ASN H H 92 7.915 7.915 8.050 -0.135 19438 2986 1 4 . 1 1 93 93 CYS N N 93 120.190 120.190 119.937 0.253 19438 2987 1 4 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.952 0.124 19438 2988 1 4 . 1 1 93 93 CYS CA C 93 52.610 52.610 56.471 -3.861 19438 2989 1 4 . 1 1 93 93 CYS CB C 93 42.090 42.090 30.121 11.969 19438 2990 1 4 . 1 1 93 93 CYS H H 93 7.514 7.514 7.645 -0.131 19438 2991 1 4 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.762 0.028 19438 2992 1 4 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.511 -0.011 19438 2993 1 4 . 1 1 95 95 PRO C C 95 177.770 177.770 176.250 1.520 19438 2994 1 4 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.377 0.363 19438 2995 1 4 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.392 -0.291 19438 2996 1 4 . 1 1 96 96 VAL N N 96 123.600 123.600 119.432 4.168 19438 2997 1 4 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.043 -0.096 19438 2998 1 4 . 1 1 96 96 VAL C C 96 175.780 175.780 175.554 0.226 19438 2999 1 4 . 1 1 96 96 VAL CA C 96 62.100 62.100 62.234 -0.134 19438 3000 1 4 . 1 1 96 96 VAL CB C 96 32.580 32.580 32.557 0.023 19438 3001 1 4 . 1 1 96 96 VAL H H 96 9.071 9.071 8.571 0.500 19438 3002 1 4 . 1 1 97 97 ASP N N 97 125.400 125.400 124.668 0.732 19438 3003 1 4 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.733 -0.063 19438 3004 1 4 . 1 1 97 97 ASP C C 97 175.410 175.410 175.514 -0.104 19438 3005 1 4 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.505 0.505 19438 3006 1 4 . 1 1 97 97 ASP CB C 97 41.580 41.580 41.532 0.048 19438 3007 1 4 . 1 1 97 97 ASP H H 97 8.313 8.313 8.430 -0.117 19438 3008 1 4 . 1 1 98 98 GLY N N 98 108.310 108.310 111.190 -2.880 19438 3009 1 4 . 1 1 98 98 GLY C C 98 173.140 173.140 173.282 -0.142 19438 3010 1 4 . 1 1 98 98 GLY CA C 98 45.270 45.270 44.849 0.421 19438 3011 1 4 . 1 1 98 98 GLY H H 98 7.838 7.838 8.130 -0.292 19438 3012 1 4 . 1 1 99 99 ASN N N 99 120.050 120.050 120.555 -0.505 19438 3013 1 4 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.620 0.562 19438 3014 1 4 . 1 1 99 99 ASN C C 99 174.700 174.700 174.926 -0.226 19438 3015 1 4 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.416 -0.296 19438 3016 1 4 . 1 1 99 99 ASN CB C 99 39.360 39.360 38.625 0.735 19438 3017 1 4 . 1 1 99 99 ASN H H 99 8.685 8.685 8.231 0.454 19438 3018 1 4 . 1 1 100 100 ARG N N 100 121.100 121.100 123.711 -2.611 19438 3019 1 4 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.546 0.363 19438 3020 1 4 . 1 1 100 100 ARG C C 100 176.930 176.930 175.944 0.986 19438 3021 1 4 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.736 0.074 19438 3022 1 4 . 1 1 100 100 ARG CB C 100 31.710 31.710 30.012 1.698 19438 3023 1 4 . 1 1 100 100 ARG H H 100 8.502 8.502 8.091 0.411 19438 3024 1 4 . 1 1 101 101 CYS N N 101 121.180 121.180 124.411 -3.231 19438 3025 1 4 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.395 0.311 19438 3026 1 4 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.910 -3.640 19438 3027 1 4 . 1 1 101 101 CYS H H 101 8.607 8.607 8.596 0.011 19438 3028 1 4 . 1 1 102 102 SER HA H 102 4.565 4.565 4.379 0.186 19438 3029 1 4 . 1 1 102 102 SER C C 102 174.220 174.220 173.037 1.183 19438 3030 1 4 . 1 1 102 102 SER CA C 102 57.900 57.900 58.984 -1.084 19438 3031 1 4 . 1 1 102 102 SER CB C 102 63.700 63.700 61.785 1.915 19438 3032 1 4 . 1 1 103 103 VAL N N 103 122.910 122.910 121.535 1.375 19438 3033 1 4 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.236 -0.014 19438 3034 1 4 . 1 1 103 103 VAL C C 103 175.070 175.070 175.131 -0.061 19438 3035 1 4 . 1 1 103 103 VAL CA C 103 62.440 62.440 60.826 1.614 19438 3036 1 4 . 1 1 103 103 VAL H H 103 8.332 8.332 8.008 0.324 19438 3037 1 4 . 1 1 104 104 LEU N N 104 125.940 125.940 123.547 2.393 19438 3038 1 4 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.542 -0.129 19438 3039 1 4 . 1 1 104 104 LEU C C 104 177.220 177.220 176.282 0.938 19438 3040 1 4 . 1 1 104 104 LEU CA C 104 55.930 55.930 55.248 0.682 19438 3041 1 4 . 1 1 104 104 LEU CB C 104 42.890 42.890 42.541 0.348 19438 3042 1 4 . 1 1 104 104 LEU H H 104 8.831 8.831 8.231 0.600 19438 3043 1 4 . 1 1 105 105 GLU N N 105 120.540 120.540 119.222 1.318 19438 3044 1 4 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.634 -0.223 19438 3045 1 4 . 1 1 105 105 GLU C C 105 175.400 175.400 176.999 -1.599 19438 3046 1 4 . 1 1 105 105 GLU CA C 105 55.890 55.890 55.022 0.868 19438 3047 1 4 . 1 1 105 105 GLU CB C 105 30.460 30.460 30.951 -0.491 19438 3048 1 4 . 1 1 105 105 GLU H H 105 8.070 8.070 7.993 0.077 19438 3049 1 4 . 1 1 106 106 PHE N N 106 124.060 124.060 125.399 -1.339 19438 3050 1 4 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.103 -0.042 19438 3051 1 4 . 1 1 106 106 PHE C C 106 175.880 175.880 176.469 -0.589 19438 3052 1 4 . 1 1 106 106 PHE CA C 106 62.120 62.120 62.153 -0.033 19438 3053 1 4 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.173 0.497 19438 3054 1 4 . 1 1 106 106 PHE H H 106 8.666 8.666 9.000 -0.334 19438 3055 1 4 . 1 1 107 107 GLU N N 107 117.290 117.290 117.426 -0.136 19438 3056 1 4 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.752 0.134 19438 3057 1 4 . 1 1 107 107 GLU C C 107 178.050 178.050 179.202 -1.152 19438 3058 1 4 . 1 1 107 107 GLU CA C 107 59.360 59.360 59.616 -0.256 19438 3059 1 4 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.018 0.312 19438 3060 1 4 . 1 1 107 107 GLU H H 107 8.932 8.932 8.802 0.130 19438 3061 1 4 . 1 1 108 108 ARG N N 108 117.240 117.240 118.915 -1.675 19438 3062 1 4 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.192 0.116 19438 3063 1 4 . 1 1 108 108 ARG C C 108 177.930 177.930 177.492 0.438 19438 3064 1 4 . 1 1 108 108 ARG CA C 108 57.120 57.120 58.117 -0.997 19438 3065 1 4 . 1 1 108 108 ARG CB C 108 31.110 31.110 30.654 0.456 19438 3066 1 4 . 1 1 108 108 ARG H H 108 7.533 7.533 7.774 -0.241 19438 3067 1 4 . 1 1 109 109 ASP N N 109 120.040 120.040 121.487 -1.447 19438 3068 1 4 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.324 0.276 19438 3069 1 4 . 1 1 109 109 ASP C C 109 177.980 177.980 178.091 -0.111 19438 3070 1 4 . 1 1 109 109 ASP CA C 109 56.810 56.810 57.761 -0.951 19438 3071 1 4 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.920 0.580 19438 3072 1 4 . 1 1 109 109 ASP H H 109 8.295 8.295 8.245 0.050 19438 3073 1 4 . 1 1 110 110 ILE N N 110 118.710 118.710 119.511 -0.801 19438 3074 1 4 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.560 0.234 19438 3075 1 4 . 1 1 110 110 ILE C C 110 176.740 176.740 177.287 -0.547 19438 3076 1 4 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.427 -1.577 19438 3077 1 4 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.611 -0.581 19438 3078 1 4 . 1 1 110 110 ILE H H 110 8.081 8.081 8.089 -0.008 19438 3079 1 4 . 1 1 111 111 GLU N N 111 121.140 121.140 119.712 1.428 19438 3080 1 4 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.903 0.059 19438 3081 1 4 . 1 1 111 111 GLU C C 111 177.400 177.400 178.737 -1.337 19438 3082 1 4 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.615 -0.015 19438 3083 1 4 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.246 0.054 19438 3084 1 4 . 1 1 111 111 GLU H H 111 7.558 7.558 7.830 -0.272 19438 3085 1 4 . 1 1 112 112 CYS N N 112 117.380 117.380 119.940 -2.560 19438 3086 1 4 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.213 -0.110 19438 3087 1 4 . 1 1 112 112 CYS C C 112 176.570 176.570 177.150 -0.580 19438 3088 1 4 . 1 1 112 112 CYS CA C 112 59.290 59.290 63.057 -3.767 19438 3089 1 4 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.206 15.704 19438 3090 1 4 . 1 1 112 112 CYS H H 112 7.739 7.739 8.053 -0.314 19438 3091 1 4 . 1 1 113 113 ILE N N 113 118.520 118.520 120.762 -2.242 19438 3092 1 4 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.730 0.103 19438 3093 1 4 . 1 1 113 113 ILE C C 113 177.220 177.220 178.385 -1.165 19438 3094 1 4 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.814 -0.404 19438 3095 1 4 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.413 1.017 19438 3096 1 4 . 1 1 113 113 ILE H H 113 7.682 7.682 8.196 -0.514 19438 3097 1 4 . 1 1 114 114 VAL N N 114 120.390 120.390 120.514 -0.124 19438 3098 1 4 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.492 -0.024 19438 3099 1 4 . 1 1 114 114 VAL C C 114 177.970 177.970 177.721 0.249 19438 3100 1 4 . 1 1 114 114 VAL CA C 114 67.960 67.960 67.482 0.478 19438 3101 1 4 . 1 1 114 114 VAL CB C 114 31.730 31.730 31.156 0.574 19438 3102 1 4 . 1 1 114 114 VAL H H 114 7.765 7.765 8.377 -0.612 19438 3103 1 4 . 1 1 115 115 LYS N N 115 118.840 118.840 119.690 -0.850 19438 3104 1 4 . 1 1 115 115 LYS HA H 115 4.129 4.129 3.994 0.135 19438 3105 1 4 . 1 1 115 115 LYS C C 115 178.870 178.870 178.909 -0.039 19438 3106 1 4 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.735 -0.435 19438 3107 1 4 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.043 -0.133 19438 3108 1 4 . 1 1 115 115 LYS H H 115 8.314 8.314 8.368 -0.054 19438 3109 1 4 . 1 1 116 116 ALA N N 116 121.000 121.000 122.524 -1.524 19438 3110 1 4 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.046 0.180 19438 3111 1 4 . 1 1 116 116 ALA C C 116 181.600 181.600 179.406 2.194 19438 3112 1 4 . 1 1 116 116 ALA CA C 116 55.320 55.320 54.980 0.340 19438 3113 1 4 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.353 0.297 19438 3114 1 4 . 1 1 116 116 ALA H H 116 7.427 7.427 7.738 -0.311 19438 3115 1 4 . 1 1 117 117 ILE N N 117 120.090 120.090 119.112 0.978 19438 3116 1 4 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.478 -0.165 19438 3117 1 4 . 1 1 117 117 ILE C C 117 177.630 177.630 177.813 -0.183 19438 3118 1 4 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.748 0.762 19438 3119 1 4 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.578 0.282 19438 3120 1 4 . 1 1 117 117 ILE H H 117 8.121 8.121 8.084 0.037 19438 3121 1 4 . 1 1 118 118 GLU N N 118 119.300 119.300 119.125 0.175 19438 3122 1 4 . 1 1 118 118 GLU HA H 118 3.886 3.886 3.982 -0.096 19438 3123 1 4 . 1 1 118 118 GLU C C 118 179.850 179.850 179.311 0.539 19438 3124 1 4 . 1 1 118 118 GLU CA C 118 60.760 60.760 59.876 0.884 19438 3125 1 4 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.026 0.624 19438 3126 1 4 . 1 1 118 118 GLU H H 118 8.657 8.657 8.574 0.083 19438 3127 1 4 . 1 1 119 119 GLU N N 119 119.080 119.080 119.875 -0.795 19438 3128 1 4 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.170 -0.102 19438 3129 1 4 . 1 1 119 119 GLU C C 119 178.670 178.670 178.908 -0.238 19438 3130 1 4 . 1 1 119 119 GLU CA C 119 59.390 59.390 59.080 0.310 19438 3131 1 4 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.480 0.240 19438 3132 1 4 . 1 1 119 119 GLU H H 119 8.596 8.596 8.013 0.583 19438 3133 1 4 . 1 1 120 120 CYS N N 120 117.950 117.950 118.788 -0.838 19438 3134 1 4 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.414 0.028 19438 3135 1 4 . 1 1 120 120 CYS C C 120 177.280 177.280 177.697 -0.417 19438 3136 1 4 . 1 1 120 120 CYS CA C 120 58.480 58.480 61.793 -3.313 19438 3137 1 4 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.043 13.377 19438 3138 1 4 . 1 1 120 120 CYS H H 120 7.686 7.686 7.809 -0.123 19438 3139 1 4 . 1 1 121 121 LEU N N 121 118.000 118.000 120.043 -2.043 19438 3140 1 4 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.210 -0.189 19438 3141 1 4 . 1 1 121 121 LEU C C 121 179.010 179.010 178.645 0.365 19438 3142 1 4 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.284 0.386 19438 3143 1 4 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.978 -0.598 19438 3144 1 4 . 1 1 121 121 LEU H H 121 8.194 8.194 8.419 -0.225 19438 3145 1 4 . 1 1 122 122 ALA N N 122 119.940 119.940 118.551 1.389 19438 3146 1 4 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.154 0.072 19438 3147 1 4 . 1 1 122 122 ALA C C 122 179.040 179.040 178.714 0.326 19438 3148 1 4 . 1 1 122 122 ALA CA C 122 54.160 54.160 53.328 0.832 19438 3149 1 4 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.794 0.086 19438 3150 1 4 . 1 1 122 122 ALA H H 122 7.974 7.974 8.064 -0.090 19438 3151 1 4 . 1 1 123 123 LYS N N 123 117.940 117.940 119.207 -1.267 19438 3152 1 4 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.042 0.149 19438 3153 1 4 . 1 1 123 123 LYS C C 123 177.770 177.770 177.156 0.614 19438 3154 1 4 . 1 1 123 123 LYS CA C 123 57.710 57.710 56.896 0.814 19438 3155 1 4 . 1 1 123 123 LYS CB C 123 32.570 32.570 32.816 -0.246 19438 3156 1 4 . 1 1 123 123 LYS H H 123 7.774 7.774 7.463 0.311 19438 3157 1 4 . 1 1 124 124 GLY N N 124 107.510 107.510 107.338 0.172 19438 3158 1 4 . 1 1 124 124 GLY C C 124 174.290 174.290 172.940 1.350 19438 3159 1 4 . 1 1 124 124 GLY CA C 124 46.060 46.060 44.594 1.466 19438 3160 1 4 . 1 1 124 124 GLY H H 124 8.084 8.084 7.238 0.846 19438 3161 1 4 . 1 1 125 125 GLU N N 125 120.170 120.170 120.704 -0.534 19438 3162 1 4 . 1 1 125 125 GLU HA H 125 4.318 4.318 3.879 0.439 19438 3163 1 4 . 1 1 125 125 GLU C C 125 176.940 176.940 175.028 1.912 19438 3164 1 4 . 1 1 125 125 GLU CA C 125 56.780 56.780 56.132 0.648 19438 3165 1 4 . 1 1 125 125 GLU CB C 125 30.760 30.760 28.105 2.655 19438 3166 1 4 . 1 1 125 125 GLU H H 125 7.997 7.997 8.457 -0.460 19438 3167 1 4 . 1 1 126 126 LEU N N 126 122.210 122.210 125.503 -3.293 19438 3168 1 4 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.695 -0.385 19438 3169 1 4 . 1 1 126 126 LEU C C 126 177.320 177.320 174.902 2.418 19438 3170 1 4 . 1 1 126 126 LEU CA C 126 55.940 55.940 53.535 2.405 19438 3171 1 4 . 1 1 126 126 LEU CB C 126 42.540 42.540 46.117 -3.577 19438 3172 1 4 . 1 1 126 126 LEU H H 126 8.218 8.218 7.773 0.445 19438 3173 1 4 . 1 1 127 127 ASN N N 127 119.250 119.250 125.304 -6.054 19438 3174 1 4 . 1 1 127 127 ASN HA H 127 4.694 4.694 5.324 -0.630 19438 3175 1 4 . 1 1 127 127 ASN C C 127 175.720 175.720 174.477 1.243 19438 3176 1 4 . 1 1 127 127 ASN CA C 127 53.930 53.930 52.480 1.450 19438 3177 1 4 . 1 1 127 127 ASN CB C 127 38.970 38.970 38.462 0.508 19438 3178 1 4 . 1 1 127 127 ASN H H 127 8.445 8.445 8.289 0.156 19438 3179 1 4 . 1 1 128 128 SER N N 128 116.060 116.060 119.373 -3.313 19438 3180 1 4 . 1 1 128 128 SER HA H 128 4.373 4.373 4.524 -0.151 19438 3181 1 4 . 1 1 128 128 SER C C 128 174.830 174.830 172.940 1.890 19438 3182 1 4 . 1 1 128 128 SER CA C 128 59.120 59.120 57.546 1.574 19438 3183 1 4 . 1 1 128 128 SER CB C 128 63.830 63.830 64.239 -0.409 19438 3184 1 4 . 1 1 128 128 SER H H 128 8.182 8.182 9.069 -0.887 19438 3185 1 4 . 1 1 129 129 LYS N N 129 122.520 122.520 129.507 -6.987 19438 3186 1 4 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.309 0.049 19438 3187 1 4 . 1 1 129 129 LYS C C 129 176.750 176.750 175.234 1.516 19438 3188 1 4 . 1 1 129 129 LYS CA C 129 56.710 56.710 56.417 0.293 19438 3189 1 4 . 1 1 129 129 LYS CB C 129 32.760 32.760 32.142 0.618 19438 3190 1 4 . 1 1 129 129 LYS H H 129 8.154 8.154 8.623 -0.469 19438 3191 1 4 . 1 1 130 130 LEU N N 130 122.340 122.340 125.770 -3.430 19438 3192 1 4 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.550 -0.222 19438 3193 1 4 . 1 1 130 130 LEU C C 130 177.430 177.430 175.240 2.190 19438 3194 1 4 . 1 1 130 130 LEU CA C 130 57.430 57.430 53.493 3.937 19438 3195 1 4 . 1 1 130 130 LEU CB C 130 42.380 42.380 45.591 -3.211 19438 3196 1 4 . 1 1 130 130 LEU H H 130 8.070 8.070 8.140 -0.070 19438 3197 1 4 . 1 1 131 131 GLU N N 131 121.450 121.450 121.646 -0.196 19438 3198 1 4 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.501 -0.206 19438 3199 1 4 . 1 1 131 131 GLU C C 131 176.920 176.920 176.311 0.609 19438 3200 1 4 . 1 1 131 131 GLU CA C 131 56.690 56.690 56.268 0.422 19438 3201 1 4 . 1 1 131 131 GLU CB C 131 30.380 30.380 29.305 1.075 19438 3202 1 4 . 1 1 131 131 GLU H H 131 8.250 8.250 8.558 -0.308 19438 3203 1 4 . 1 1 132 132 GLY N N 132 109.900 109.900 109.708 0.192 19438 3204 1 4 . 1 1 132 132 GLY C C 132 173.770 173.770 172.885 0.885 19438 3205 1 4 . 1 1 132 132 GLY CA C 132 45.290 45.290 45.501 -0.211 19438 3206 1 4 . 1 1 132 132 GLY H H 132 8.334 8.334 7.964 0.370 19438 3207 1 4 . 1 1 133 133 LYS N N 133 121.920 121.920 120.146 1.774 19438 3208 1 4 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.670 -0.006 19438 3209 1 4 . 1 1 133 133 LYS CA C 133 54.150 54.150 54.564 -0.414 19438 3210 1 4 . 1 1 133 133 LYS CB C 133 32.710 32.710 34.622 -1.912 19438 3211 1 4 . 1 1 133 133 LYS H H 133 8.037 8.037 9.168 -1.131 19438 3212 1 4 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.632 -0.181 19438 3213 1 4 . 1 1 134 134 PRO C C 134 176.670 176.670 175.747 0.923 19438 3214 1 4 . 1 1 134 134 PRO CA C 134 62.940 62.940 63.368 -0.428 19438 3215 1 4 . 1 1 134 134 PRO CB C 134 31.890 31.890 31.614 0.276 19438 3216 1 4 . 1 1 135 135 ILE N N 135 122.710 122.710 125.819 -3.109 19438 3217 1 4 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.570 -0.142 19438 3218 1 4 . 1 1 135 135 ILE CA C 135 58.770 58.770 57.029 1.741 19438 3219 1 4 . 1 1 135 135 ILE CB C 135 38.640 38.640 39.564 -0.924 19438 3220 1 4 . 1 1 135 135 ILE H H 135 8.227 8.227 8.063 0.164 19438 3221 1 4 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.279 0.093 19438 3222 1 4 . 1 1 136 136 PRO C C 136 176.330 176.330 175.613 0.717 19438 3223 1 4 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.443 0.807 19438 3224 1 4 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.158 -0.148 19438 3225 1 4 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.876 0.065 19438 3226 1 4 . 1 1 137 137 ASN CA C 137 51.270 51.270 50.836 0.434 19438 3227 1 4 . 1 1 137 137 ASN CB C 137 38.670 38.670 40.087 -1.417 19438 3228 1 4 . 1 1 137 137 ASN H H 137 8.383 8.383 8.052 0.331 19438 3229 1 4 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.371 0.033 19438 3230 1 4 . 1 1 138 138 PRO C C 138 177.210 177.210 176.396 0.814 19438 3231 1 4 . 1 1 138 138 PRO CA C 138 63.310 63.310 63.444 -0.134 19438 3232 1 4 . 1 1 138 138 PRO CB C 138 32.100 32.100 31.926 0.174 19438 3233 1 4 . 1 1 139 139 LEU N N 139 119.860 119.860 117.757 2.103 19438 3234 1 4 . 1 1 139 139 LEU HA H 139 4.301 4.301 3.988 0.313 19438 3235 1 4 . 1 1 139 139 LEU C C 139 177.640 177.640 175.649 1.991 19438 3236 1 4 . 1 1 139 139 LEU CA C 139 55.610 55.610 54.906 0.704 19438 3237 1 4 . 1 1 139 139 LEU CB C 139 41.540 41.540 40.537 1.003 19438 3238 1 4 . 1 1 139 139 LEU H H 139 8.096 8.096 8.101 -0.005 19438 3239 1 4 . 1 1 140 140 LEU N N 140 121.040 121.040 126.322 -5.282 19438 3240 1 4 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.722 -0.407 19438 3241 1 4 . 1 1 140 140 LEU C C 140 177.840 177.840 174.914 2.926 19438 3242 1 4 . 1 1 140 140 LEU CA C 140 55.370 55.370 54.194 1.176 19438 3243 1 4 . 1 1 140 140 LEU CB C 140 42.390 42.390 43.233 -0.843 19438 3244 1 4 . 1 1 140 140 LEU H H 140 7.749 7.749 9.048 -1.299 19438 3245 1 4 . 1 1 141 141 GLY N N 141 108.960 108.960 111.303 -2.343 19438 3246 1 4 . 1 1 141 141 GLY C C 141 174.380 174.380 172.343 2.037 19438 3247 1 4 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.621 0.029 19438 3248 1 4 . 1 1 141 141 GLY H H 141 8.231 8.231 8.003 0.228 19438 3249 1 4 . 1 1 142 142 LEU N N 142 121.470 121.470 119.422 2.048 19438 3250 1 4 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.671 -0.335 19438 3251 1 4 . 1 1 142 142 LEU C C 142 177.390 177.390 175.055 2.335 19438 3252 1 4 . 1 1 142 142 LEU CA C 142 55.630 55.630 54.513 1.117 19438 3253 1 4 . 1 1 142 142 LEU CB C 142 42.600 42.600 45.793 -3.193 19438 3254 1 4 . 1 1 142 142 LEU H H 142 8.004 8.004 8.589 -0.585 19438 3255 1 4 . 1 1 143 143 ASP N N 143 120.770 120.770 126.586 -5.816 19438 3256 1 4 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.785 -0.112 19438 3257 1 4 . 1 1 143 143 ASP C C 143 176.870 176.870 175.963 0.907 19438 3258 1 4 . 1 1 143 143 ASP CA C 143 54.400 54.400 55.955 -1.555 19438 3259 1 4 . 1 1 143 143 ASP CB C 143 41.170 41.170 41.125 0.045 19438 3260 1 4 . 1 1 143 143 ASP H H 143 8.380 8.380 8.647 -0.267 19438 3261 1 4 . 1 1 144 144 SER N N 144 116.820 116.820 122.998 -6.178 19438 3262 1 4 . 1 1 144 144 SER HA H 144 4.413 4.413 4.805 -0.392 19438 3263 1 4 . 1 1 144 144 SER C C 144 175.300 175.300 174.319 0.981 19438 3264 1 4 . 1 1 144 144 SER CA C 144 59.190 59.190 57.101 2.089 19438 3265 1 4 . 1 1 144 144 SER CB C 144 63.770 63.770 63.314 0.456 19438 3266 1 4 . 1 1 144 144 SER H H 144 8.298 8.298 8.475 -0.177 19438 3267 1 4 . 1 1 145 145 THR N N 145 114.870 114.870 119.246 -4.376 19438 3268 1 4 . 1 1 145 145 THR HA H 145 4.419 4.419 4.089 0.330 19438 3269 1 4 . 1 1 145 145 THR C C 145 175.070 175.070 174.775 0.295 19438 3270 1 4 . 1 1 145 145 THR CA C 145 62.880 62.880 63.872 -0.992 19438 3271 1 4 . 1 1 145 145 THR CB C 145 69.710 69.710 69.243 0.467 19438 3272 1 4 . 1 1 145 145 THR H H 145 8.208 8.208 8.462 -0.254 19438 3273 1 4 . 1 1 146 146 ARG N N 146 122.450 122.450 117.383 5.067 19438 3274 1 4 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.082 0.300 19438 3275 1 4 . 1 1 146 146 ARG C C 146 176.570 176.570 175.798 0.772 19438 3276 1 4 . 1 1 146 146 ARG CA C 146 56.350 56.350 56.317 0.033 19438 3277 1 4 . 1 1 146 146 ARG CB C 146 30.620 30.620 29.428 1.192 19438 3278 1 4 . 1 1 146 146 ARG H H 146 8.122 8.122 7.687 0.435 19438 3279 1 4 . 1 1 147 147 THR N N 147 113.830 113.830 117.363 -3.533 19438 3280 1 4 . 1 1 147 147 THR HA H 147 4.400 4.400 4.349 0.051 19438 3281 1 4 . 1 1 147 147 THR C C 147 175.200 175.200 174.338 0.862 19438 3282 1 4 . 1 1 147 147 THR CA C 147 62.110 62.110 62.366 -0.256 19438 3283 1 4 . 1 1 147 147 THR CB C 147 69.950 69.950 68.391 1.559 19438 3284 1 4 . 1 1 147 147 THR H H 147 8.039 8.039 8.232 -0.193 19438 3285 1 5 . 1 1 2 2 LYS N N 2 124.740 124.740 124.116 0.624 19438 3286 1 5 . 1 1 2 2 LYS HA H 2 4.810 4.810 5.136 -0.326 19438 3287 1 5 . 1 1 2 2 LYS C C 2 173.640 173.640 174.634 -0.994 19438 3288 1 5 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.516 -1.556 19438 3289 1 5 . 1 1 2 2 LYS CB C 2 34.850 34.850 36.591 -1.741 19438 3290 1 5 . 1 1 2 2 LYS H H 2 8.620 8.620 8.406 0.214 19438 3291 1 5 . 1 1 3 3 TYR N N 3 114.840 114.840 119.016 -4.176 19438 3292 1 5 . 1 1 3 3 TYR HA H 3 5.252 5.252 4.828 0.424 19438 3293 1 5 . 1 1 3 3 TYR C C 3 174.920 174.920 174.246 0.674 19438 3294 1 5 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.500 -0.140 19438 3295 1 5 . 1 1 3 3 TYR CB C 3 43.170 43.170 42.125 1.045 19438 3296 1 5 . 1 1 3 3 TYR H H 3 8.927 8.927 9.329 -0.402 19438 3297 1 5 . 1 1 4 4 ASP N N 4 119.790 119.790 121.553 -1.763 19438 3298 1 5 . 1 1 4 4 ASP HA H 4 5.479 5.479 5.214 0.265 19438 3299 1 5 . 1 1 4 4 ASP C C 4 175.780 175.780 174.706 1.074 19438 3300 1 5 . 1 1 4 4 ASP CA C 4 52.900 52.900 52.832 0.068 19438 3301 1 5 . 1 1 4 4 ASP CB C 4 43.970 43.970 43.462 0.507 19438 3302 1 5 . 1 1 4 4 ASP H H 4 9.170 9.170 9.247 -0.077 19438 3303 1 5 . 1 1 5 5 VAL N N 5 122.030 122.030 127.183 -5.153 19438 3304 1 5 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.748 -0.026 19438 3305 1 5 . 1 1 5 5 VAL C C 5 174.520 174.520 173.270 1.250 19438 3306 1 5 . 1 1 5 5 VAL CA C 5 62.100 62.100 60.875 1.225 19438 3307 1 5 . 1 1 5 5 VAL CB C 5 31.720 31.720 33.900 -2.180 19438 3308 1 5 . 1 1 5 5 VAL H H 5 8.733 8.733 9.040 -0.307 19438 3309 1 5 . 1 1 6 6 VAL N N 6 128.380 128.380 129.192 -0.812 19438 3310 1 5 . 1 1 6 6 VAL HA H 6 4.646 4.646 5.037 -0.391 19438 3311 1 5 . 1 1 6 6 VAL C C 6 174.330 174.330 173.210 1.120 19438 3312 1 5 . 1 1 6 6 VAL CA C 6 61.750 61.750 59.361 2.389 19438 3313 1 5 . 1 1 6 6 VAL CB C 6 34.060 34.060 34.722 -0.662 19438 3314 1 5 . 1 1 6 6 VAL H H 6 9.338 9.338 8.814 0.524 19438 3315 1 5 . 1 1 7 7 ILE N N 7 127.540 127.540 130.259 -2.719 19438 3316 1 5 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.181 -0.021 19438 3317 1 5 . 1 1 7 7 ILE C C 7 175.260 175.260 173.663 1.597 19438 3318 1 5 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.515 1.695 19438 3319 1 5 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.126 -0.026 19438 3320 1 5 . 1 1 7 7 ILE H H 7 9.295 9.295 9.076 0.219 19438 3321 1 5 . 1 1 8 8 ILE N N 8 126.500 126.500 129.929 -3.429 19438 3322 1 5 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.617 0.145 19438 3323 1 5 . 1 1 8 8 ILE CA C 8 58.790 58.790 57.731 1.059 19438 3324 1 5 . 1 1 8 8 ILE CB C 8 41.100 41.100 38.234 2.866 19438 3325 1 5 . 1 1 8 8 ILE H H 8 9.573 9.573 9.171 0.402 19438 3326 1 5 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.566 -0.241 19438 3327 1 5 . 1 1 9 9 PRO C C 9 174.390 174.390 175.885 -1.495 19438 3328 1 5 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.262 -0.192 19438 3329 1 5 . 1 1 9 9 PRO CB C 9 31.600 31.600 32.818 -1.218 19438 3330 1 5 . 1 1 10 10 GLU N N 10 120.480 120.480 120.637 -0.157 19438 3331 1 5 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.820 -0.047 19438 3332 1 5 . 1 1 10 10 GLU C C 10 174.950 174.950 175.574 -0.624 19438 3333 1 5 . 1 1 10 10 GLU CA C 10 55.600 55.600 55.470 0.130 19438 3334 1 5 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.237 0.743 19438 3335 1 5 . 1 1 10 10 GLU H H 10 9.218 9.218 9.119 0.099 19438 3336 1 5 . 1 1 11 11 SER N N 11 117.470 117.470 120.366 -2.896 19438 3337 1 5 . 1 1 11 11 SER HA H 11 4.686 4.686 4.694 -0.008 19438 3338 1 5 . 1 1 11 11 SER C C 11 174.460 174.460 174.547 -0.087 19438 3339 1 5 . 1 1 11 11 SER CA C 11 57.490 57.490 59.645 -2.155 19438 3340 1 5 . 1 1 11 11 SER CB C 11 64.820 64.820 63.751 1.069 19438 3341 1 5 . 1 1 11 11 SER H H 11 8.595 8.595 8.391 0.204 19438 3342 1 5 . 1 1 12 12 PHE N N 12 122.760 122.760 124.778 -2.018 19438 3343 1 5 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.460 0.211 19438 3344 1 5 . 1 1 12 12 PHE C C 12 175.440 175.440 174.458 0.982 19438 3345 1 5 . 1 1 12 12 PHE CA C 12 58.580 58.580 57.642 0.938 19438 3346 1 5 . 1 1 12 12 PHE CB C 12 39.940 39.940 38.339 1.601 19438 3347 1 5 . 1 1 12 12 PHE H H 12 8.298 8.298 8.232 0.066 19438 3348 1 5 . 1 1 13 13 HIS N N 13 120.600 120.600 123.774 -3.174 19438 3349 1 5 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.873 -0.258 19438 3350 1 5 . 1 1 13 13 HIS C C 13 174.530 174.530 174.586 -0.056 19438 3351 1 5 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.706 -0.096 19438 3352 1 5 . 1 1 13 13 HIS CB C 13 31.000 31.000 34.047 -3.047 19438 3353 1 5 . 1 1 13 13 HIS H H 13 8.243 8.243 8.195 0.048 19438 3354 1 5 . 1 1 14 14 ARG N N 14 122.290 122.290 123.204 -0.914 19438 3355 1 5 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.489 -0.270 19438 3356 1 5 . 1 1 14 14 ARG C C 14 176.070 176.070 175.879 0.191 19438 3357 1 5 . 1 1 14 14 ARG CA C 14 56.580 56.580 55.404 1.177 19438 3358 1 5 . 1 1 14 14 ARG CB C 14 30.790 30.790 30.699 0.091 19438 3359 1 5 . 1 1 14 14 ARG H H 14 8.320 8.320 8.951 -0.631 19438 3360 1 5 . 1 1 15 15 PHE N N 15 120.220 120.220 127.168 -6.948 19438 3361 1 5 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.633 0.063 19438 3362 1 5 . 1 1 15 15 PHE C C 15 175.550 175.550 175.127 0.423 19438 3363 1 5 . 1 1 15 15 PHE CA C 15 57.630 57.630 58.452 -0.822 19438 3364 1 5 . 1 1 15 15 PHE CB C 15 39.920 39.920 38.824 1.097 19438 3365 1 5 . 1 1 15 15 PHE H H 15 8.409 8.409 8.929 -0.520 19438 3366 1 5 . 1 1 16 16 ASP N N 16 121.370 121.370 128.537 -7.167 19438 3367 1 5 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.557 -0.006 19438 3368 1 5 . 1 1 16 16 ASP C C 16 176.590 176.590 175.599 0.991 19438 3369 1 5 . 1 1 16 16 ASP CA C 16 54.180 54.180 53.554 0.626 19438 3370 1 5 . 1 1 16 16 ASP CB C 16 41.410 41.410 42.516 -1.106 19438 3371 1 5 . 1 1 16 16 ASP H H 16 8.397 8.397 7.936 0.461 19438 3372 1 5 . 1 1 17 17 LYS N N 17 119.880 119.880 118.322 1.558 19438 3373 1 5 . 1 1 17 17 LYS HA H 17 4.167 4.167 3.982 0.185 19438 3374 1 5 . 1 1 17 17 LYS C C 17 176.550 176.550 176.780 -0.230 19438 3375 1 5 . 1 1 17 17 LYS CA C 17 57.110 57.110 58.211 -1.101 19438 3376 1 5 . 1 1 17 17 LYS CB C 17 32.420 32.420 33.175 -0.755 19438 3377 1 5 . 1 1 17 17 LYS H H 17 8.188 8.188 8.163 0.025 19438 3378 1 5 . 1 1 18 18 HIS N N 18 118.390 118.390 116.659 1.731 19438 3379 1 5 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.872 -0.222 19438 3380 1 5 . 1 1 18 18 HIS C C 18 175.020 175.020 173.066 1.954 19438 3381 1 5 . 1 1 18 18 HIS CA C 18 56.260 56.260 55.744 0.516 19438 3382 1 5 . 1 1 18 18 HIS CB C 18 30.010 30.010 31.535 -1.525 19438 3383 1 5 . 1 1 18 18 HIS H H 18 8.339 8.339 8.266 0.073 19438 3384 1 5 . 1 1 19 19 ASN N N 19 118.700 118.700 117.476 1.224 19438 3385 1 5 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.640 0.032 19438 3386 1 5 . 1 1 19 19 ASN C C 19 175.170 175.170 173.742 1.428 19438 3387 1 5 . 1 1 19 19 ASN CA C 19 53.800 53.800 52.836 0.964 19438 3388 1 5 . 1 1 19 19 ASN CB C 19 38.730 38.730 41.202 -2.471 19438 3389 1 5 . 1 1 19 19 ASN H H 19 8.287 8.287 7.638 0.649 19438 3390 1 5 . 1 1 20 20 MET N N 20 120.140 120.140 119.720 0.420 19438 3391 1 5 . 1 1 20 20 MET HA H 20 4.475 4.475 3.933 0.542 19438 3392 1 5 . 1 1 20 20 MET C C 20 176.470 176.470 173.196 3.274 19438 3393 1 5 . 1 1 20 20 MET CA C 20 55.640 55.640 56.596 -0.956 19438 3394 1 5 . 1 1 20 20 MET CB C 20 33.500 33.500 31.560 1.940 19438 3395 1 5 . 1 1 20 20 MET H H 20 8.495 8.495 9.488 -0.993 19438 3396 1 5 . 1 1 21 21 GLU N N 21 120.920 120.920 119.375 1.545 19438 3397 1 5 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.783 -0.582 19438 3398 1 5 . 1 1 21 21 GLU C C 21 176.380 176.380 173.859 2.521 19438 3399 1 5 . 1 1 21 21 GLU CA C 21 57.330 57.330 55.381 1.949 19438 3400 1 5 . 1 1 21 21 GLU CB C 21 30.080 30.080 32.667 -2.587 19438 3401 1 5 . 1 1 21 21 GLU H H 21 8.450 8.450 8.360 0.090 19438 3402 1 5 . 1 1 22 22 HIS N N 22 119.650 119.650 124.817 -5.167 19438 3403 1 5 . 1 1 22 22 HIS HA H 22 4.687 4.687 5.587 -0.900 19438 3404 1 5 . 1 1 22 22 HIS C C 22 174.470 174.470 173.570 0.900 19438 3405 1 5 . 1 1 22 22 HIS CA C 22 55.980 55.980 55.572 0.408 19438 3406 1 5 . 1 1 22 22 HIS CB C 22 30.530 30.530 31.694 -1.163 19438 3407 1 5 . 1 1 22 22 HIS H H 22 8.334 8.334 8.550 -0.216 19438 3408 1 5 . 1 1 23 23 ILE N N 23 121.910 121.910 126.284 -4.374 19438 3409 1 5 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.353 -0.202 19438 3410 1 5 . 1 1 23 23 ILE C C 23 175.870 175.870 174.010 1.860 19438 3411 1 5 . 1 1 23 23 ILE CA C 23 61.170 61.170 58.969 2.201 19438 3412 1 5 . 1 1 23 23 ILE CB C 23 38.850 38.850 40.141 -1.291 19438 3413 1 5 . 1 1 23 23 ILE H H 23 7.782 7.782 8.672 -0.890 19438 3414 1 5 . 1 1 24 24 CYS N N 24 124.920 124.920 127.532 -2.612 19438 3415 1 5 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.765 0.029 19438 3416 1 5 . 1 1 24 24 CYS CA C 24 53.130 53.130 55.944 -2.814 19438 3417 1 5 . 1 1 24 24 CYS CB C 24 42.470 42.470 28.191 14.280 19438 3418 1 5 . 1 1 24 24 CYS H H 24 8.697 8.697 8.278 0.419 19438 3419 1 5 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.499 0.231 19438 3420 1 5 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.645 0.109 19438 3421 1 5 . 1 1 26 26 PRO C C 26 175.820 175.820 176.549 -0.729 19438 3422 1 5 . 1 1 26 26 PRO CA C 26 62.580 62.580 62.700 -0.119 19438 3423 1 5 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.587 0.003 19438 3424 1 5 . 1 1 27 27 MET N N 27 120.580 120.580 124.085 -3.505 19438 3425 1 5 . 1 1 27 27 MET HA H 27 5.180 5.180 4.981 0.199 19438 3426 1 5 . 1 1 27 27 MET C C 27 174.810 174.810 175.379 -0.569 19438 3427 1 5 . 1 1 27 27 MET CA C 27 53.270 53.270 53.962 -0.691 19438 3428 1 5 . 1 1 27 27 MET CB C 27 34.580 34.580 32.897 1.683 19438 3429 1 5 . 1 1 27 27 MET H H 27 9.055 9.055 8.483 0.572 19438 3430 1 5 . 1 1 28 28 VAL N N 28 122.030 122.030 124.446 -2.416 19438 3431 1 5 . 1 1 28 28 VAL HA H 28 5.093 5.093 5.079 0.014 19438 3432 1 5 . 1 1 28 28 VAL C C 28 175.710 175.710 174.781 0.929 19438 3433 1 5 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.417 -0.767 19438 3434 1 5 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.495 0.975 19438 3435 1 5 . 1 1 28 28 VAL H H 28 8.575 8.575 8.719 -0.144 19438 3436 1 5 . 1 1 29 29 ILE N N 29 129.440 129.440 126.688 2.752 19438 3437 1 5 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.507 -0.141 19438 3438 1 5 . 1 1 29 29 ILE C C 29 176.490 176.490 174.537 1.953 19438 3439 1 5 . 1 1 29 29 ILE CA C 29 61.260 61.260 59.492 1.768 19438 3440 1 5 . 1 1 29 29 ILE CB C 29 37.960 37.960 39.961 -2.001 19438 3441 1 5 . 1 1 29 29 ILE H H 29 9.200 9.200 9.133 0.067 19438 3442 1 5 . 1 1 30 30 GLY N N 30 112.580 112.580 114.546 -1.966 19438 3443 1 5 . 1 1 30 30 GLY C C 30 175.350 175.350 173.634 1.716 19438 3444 1 5 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.844 1.266 19438 3445 1 5 . 1 1 30 30 GLY H H 30 8.525 8.525 8.771 -0.246 19438 3446 1 5 . 1 1 31 31 ASP N N 31 121.320 121.320 120.984 0.336 19438 3447 1 5 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.661 -0.558 19438 3448 1 5 . 1 1 31 31 ASP C C 31 175.530 175.530 175.632 -0.102 19438 3449 1 5 . 1 1 31 31 ASP CA C 31 55.530 55.530 53.611 1.919 19438 3450 1 5 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.849 -2.229 19438 3451 1 5 . 1 1 31 31 ASP H H 31 9.133 9.133 8.040 1.093 19438 3452 1 5 . 1 1 32 32 ARG N N 32 117.600 117.600 121.295 -3.695 19438 3453 1 5 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.842 0.189 19438 3454 1 5 . 1 1 32 32 ARG C C 32 177.060 177.060 175.990 1.070 19438 3455 1 5 . 1 1 32 32 ARG CA C 32 52.790 52.790 54.604 -1.814 19438 3456 1 5 . 1 1 32 32 ARG CB C 32 34.650 34.650 31.803 2.847 19438 3457 1 5 . 1 1 32 32 ARG H H 32 9.529 9.529 8.030 1.500 19438 3458 1 5 . 1 1 33 33 SER N N 33 116.150 116.150 117.073 -0.923 19438 3459 1 5 . 1 1 33 33 SER HA H 33 4.819 4.819 4.877 -0.058 19438 3460 1 5 . 1 1 33 33 SER C C 33 174.290 174.290 175.454 -1.164 19438 3461 1 5 . 1 1 33 33 SER CA C 33 58.130 58.130 57.052 1.078 19438 3462 1 5 . 1 1 33 33 SER CB C 33 64.530 64.530 65.060 -0.530 19438 3463 1 5 . 1 1 33 33 SER H H 33 8.400 8.400 8.569 -0.169 19438 3464 1 5 . 1 1 34 34 TYR N N 34 122.110 122.110 122.297 -0.187 19438 3465 1 5 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.509 -0.124 19438 3466 1 5 . 1 1 34 34 TYR C C 34 176.280 176.280 176.561 -0.281 19438 3467 1 5 . 1 1 34 34 TYR CA C 34 63.060 63.060 63.412 -0.352 19438 3468 1 5 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.467 -0.117 19438 3469 1 5 . 1 1 34 34 TYR H H 34 9.456 9.456 9.238 0.218 19438 3470 1 5 . 1 1 35 35 ASP N N 35 114.640 114.640 118.039 -3.399 19438 3471 1 5 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.277 -0.211 19438 3472 1 5 . 1 1 35 35 ASP C C 35 179.460 179.460 177.884 1.576 19438 3473 1 5 . 1 1 35 35 ASP CA C 35 57.380 57.380 56.749 0.631 19438 3474 1 5 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.096 -0.256 19438 3475 1 5 . 1 1 35 35 ASP H H 35 8.611 8.611 8.265 0.346 19438 3476 1 5 . 1 1 36 36 ILE N N 36 120.860 120.860 120.854 0.006 19438 3477 1 5 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.920 -0.072 19438 3478 1 5 . 1 1 36 36 ILE C C 36 178.000 178.000 177.964 0.036 19438 3479 1 5 . 1 1 36 36 ILE CA C 36 62.660 62.660 62.047 0.613 19438 3480 1 5 . 1 1 36 36 ILE CB C 36 36.700 36.700 36.747 -0.047 19438 3481 1 5 . 1 1 36 36 ILE H H 36 7.298 7.298 7.288 0.010 19438 3482 1 5 . 1 1 37 37 ALA N N 37 123.260 123.260 124.342 -1.082 19438 3483 1 5 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.918 -0.186 19438 3484 1 5 . 1 1 37 37 ALA C C 37 179.720 179.720 179.440 0.280 19438 3485 1 5 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.485 0.235 19438 3486 1 5 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.228 -0.248 19438 3487 1 5 . 1 1 37 37 ALA H H 37 8.906 8.906 8.529 0.377 19438 3488 1 5 . 1 1 38 38 MET N N 38 114.900 114.900 116.927 -2.027 19438 3489 1 5 . 1 1 38 38 MET HA H 38 4.282 4.282 4.079 0.203 19438 3490 1 5 . 1 1 38 38 MET C C 38 178.940 178.940 178.734 0.206 19438 3491 1 5 . 1 1 38 38 MET CA C 38 55.940 55.940 57.163 -1.223 19438 3492 1 5 . 1 1 38 38 MET CB C 38 29.570 29.570 31.168 -1.598 19438 3493 1 5 . 1 1 38 38 MET H H 38 8.237 8.237 7.746 0.491 19438 3494 1 5 . 1 1 39 39 GLU N N 39 120.020 120.020 120.016 0.004 19438 3495 1 5 . 1 1 39 39 GLU HA H 39 4.101 4.101 4.032 0.069 19438 3496 1 5 . 1 1 39 39 GLU C C 39 180.880 180.880 179.365 1.515 19438 3497 1 5 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.069 0.561 19438 3498 1 5 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.268 -0.218 19438 3499 1 5 . 1 1 39 39 GLU H H 39 7.517 7.517 7.903 -0.386 19438 3500 1 5 . 1 1 40 40 ILE N N 40 122.000 122.000 121.210 0.790 19438 3501 1 5 . 1 1 40 40 ILE HA H 40 3.710 3.710 3.849 -0.139 19438 3502 1 5 . 1 1 40 40 ILE C C 40 177.890 177.890 177.482 0.408 19438 3503 1 5 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.817 0.423 19438 3504 1 5 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.274 -1.374 19438 3505 1 5 . 1 1 40 40 ILE H H 40 8.220 8.220 8.382 -0.162 19438 3506 1 5 . 1 1 41 41 VAL N N 41 120.760 120.760 120.763 -0.003 19438 3507 1 5 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.493 -0.107 19438 3508 1 5 . 1 1 41 41 VAL C C 41 179.090 179.090 177.667 1.423 19438 3509 1 5 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.320 0.540 19438 3510 1 5 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.443 -0.113 19438 3511 1 5 . 1 1 41 41 VAL H H 41 8.737 8.737 8.052 0.685 19438 3512 1 5 . 1 1 42 42 ASN N N 42 119.950 119.950 118.421 1.529 19438 3513 1 5 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.425 0.182 19438 3514 1 5 . 1 1 42 42 ASN C C 42 178.080 178.080 177.654 0.426 19438 3515 1 5 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.373 -0.493 19438 3516 1 5 . 1 1 42 42 ASN CB C 42 37.490 37.490 37.841 -0.351 19438 3517 1 5 . 1 1 42 42 ASN H H 42 8.542 8.542 8.665 -0.123 19438 3518 1 5 . 1 1 43 43 GLY N N 43 112.070 112.070 108.289 3.781 19438 3519 1 5 . 1 1 43 43 GLY C C 43 176.070 176.070 176.635 -0.565 19438 3520 1 5 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.115 0.475 19438 3521 1 5 . 1 1 43 43 GLY H H 43 8.387 8.387 8.156 0.231 19438 3522 1 5 . 1 1 44 44 VAL N N 44 122.900 122.900 122.548 0.352 19438 3523 1 5 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.729 -0.202 19438 3524 1 5 . 1 1 44 44 VAL C C 44 176.700 176.700 177.454 -0.754 19438 3525 1 5 . 1 1 44 44 VAL CA C 44 66.840 66.840 65.994 0.846 19438 3526 1 5 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.173 0.077 19438 3527 1 5 . 1 1 44 44 VAL H H 44 9.078 9.078 8.370 0.708 19438 3528 1 5 . 1 1 45 45 ASP N N 45 119.070 119.070 120.318 -1.248 19438 3529 1 5 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.425 -0.233 19438 3530 1 5 . 1 1 45 45 ASP C C 45 176.540 176.540 178.176 -1.636 19438 3531 1 5 . 1 1 45 45 ASP CA C 45 58.490 58.490 58.227 0.263 19438 3532 1 5 . 1 1 45 45 ASP CB C 45 42.940 42.940 41.140 1.800 19438 3533 1 5 . 1 1 45 45 ASP H H 45 7.745 7.745 8.762 -1.017 19438 3534 1 5 . 1 1 46 46 ARG N N 46 115.750 115.750 119.527 -3.777 19438 3535 1 5 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.131 -0.137 19438 3536 1 5 . 1 1 46 46 ARG C C 46 179.760 179.760 178.757 1.003 19438 3537 1 5 . 1 1 46 46 ARG CA C 46 59.630 59.630 59.389 0.241 19438 3538 1 5 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.397 -0.207 19438 3539 1 5 . 1 1 46 46 ARG H H 46 7.557 7.557 8.050 -0.492 19438 3540 1 5 . 1 1 47 47 VAL N N 47 118.740 118.740 119.843 -1.103 19438 3541 1 5 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.767 0.145 19438 3542 1 5 . 1 1 47 47 VAL C C 47 179.150 179.150 178.320 0.830 19438 3543 1 5 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.450 -0.410 19438 3544 1 5 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.936 -0.166 19438 3545 1 5 . 1 1 47 47 VAL H H 47 8.187 8.187 7.971 0.216 19438 3546 1 5 . 1 1 48 48 ILE N N 48 122.340 122.340 120.322 2.018 19438 3547 1 5 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.740 -0.043 19438 3548 1 5 . 1 1 48 48 ILE C C 48 178.130 178.130 177.975 0.155 19438 3549 1 5 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.747 0.893 19438 3550 1 5 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.484 -0.854 19438 3551 1 5 . 1 1 48 48 ILE H H 48 8.786 8.786 8.512 0.274 19438 3552 1 5 . 1 1 49 49 LYS N N 49 116.860 116.860 119.297 -2.437 19438 3553 1 5 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.219 -0.160 19438 3554 1 5 . 1 1 49 49 LYS C C 49 178.120 178.120 177.837 0.283 19438 3555 1 5 . 1 1 49 49 LYS CA C 49 60.270 60.270 58.677 1.593 19438 3556 1 5 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.761 0.339 19438 3557 1 5 . 1 1 49 49 LYS H H 49 7.785 7.785 8.035 -0.250 19438 3558 1 5 . 1 1 50 50 ALA N N 50 117.520 117.520 121.719 -4.199 19438 3559 1 5 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.429 -0.073 19438 3560 1 5 . 1 1 50 50 ALA C C 50 179.940 179.940 178.751 1.189 19438 3561 1 5 . 1 1 50 50 ALA CA C 50 53.960 53.960 54.123 -0.163 19438 3562 1 5 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.313 0.047 19438 3563 1 5 . 1 1 50 50 ALA H H 50 7.740 7.740 7.824 -0.084 19438 3564 1 5 . 1 1 51 51 SER N N 51 111.860 111.860 113.414 -1.554 19438 3565 1 5 . 1 1 51 51 SER HA H 51 4.287 4.287 4.408 -0.121 19438 3566 1 5 . 1 1 51 51 SER C C 51 172.840 172.840 173.750 -0.910 19438 3567 1 5 . 1 1 51 51 SER CA C 51 60.610 60.610 60.239 0.371 19438 3568 1 5 . 1 1 51 51 SER CB C 51 64.500 64.500 63.733 0.768 19438 3569 1 5 . 1 1 51 51 SER H H 51 7.957 7.957 8.487 -0.530 19438 3570 1 5 . 1 1 52 52 PHE N N 52 116.210 116.210 117.970 -1.760 19438 3571 1 5 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.768 0.009 19438 3572 1 5 . 1 1 52 52 PHE C C 52 174.210 174.210 174.512 -0.302 19438 3573 1 5 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.835 -0.545 19438 3574 1 5 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.909 0.671 19438 3575 1 5 . 1 1 52 52 PHE H H 52 7.901 7.901 7.628 0.273 19438 3576 1 5 . 1 1 53 53 ASN N N 53 117.890 117.890 120.364 -2.474 19438 3577 1 5 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.926 -0.024 19438 3578 1 5 . 1 1 53 53 ASN C C 53 175.120 175.120 173.590 1.530 19438 3579 1 5 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.129 1.821 19438 3580 1 5 . 1 1 53 53 ASN CB C 53 37.550 37.550 39.503 -1.953 19438 3581 1 5 . 1 1 53 53 ASN H H 53 8.205 8.205 8.548 -0.343 19438 3582 1 5 . 1 1 54 54 ALA N N 54 125.300 125.300 127.853 -2.553 19438 3583 1 5 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.409 0.032 19438 3584 1 5 . 1 1 54 54 ALA C C 54 176.800 176.800 176.537 0.263 19438 3585 1 5 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.640 0.920 19438 3586 1 5 . 1 1 54 54 ALA CB C 54 24.080 24.080 22.196 1.884 19438 3587 1 5 . 1 1 54 54 ALA H H 54 8.246 8.246 8.320 -0.074 19438 3588 1 5 . 1 1 55 55 SER N N 55 115.850 115.850 118.869 -3.019 19438 3589 1 5 . 1 1 55 55 SER HA H 55 4.789 4.789 4.850 -0.061 19438 3590 1 5 . 1 1 55 55 SER C C 55 172.830 172.830 173.644 -0.814 19438 3591 1 5 . 1 1 55 55 SER CA C 55 57.200 57.200 57.048 0.152 19438 3592 1 5 . 1 1 55 55 SER CB C 55 65.460 65.460 63.886 1.574 19438 3593 1 5 . 1 1 55 55 SER H H 55 8.606 8.606 8.825 -0.219 19438 3594 1 5 . 1 1 56 56 VAL N N 56 121.700 121.700 127.194 -5.494 19438 3595 1 5 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.316 0.478 19438 3596 1 5 . 1 1 56 56 VAL C C 56 173.160 173.160 174.794 -1.634 19438 3597 1 5 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.867 -0.857 19438 3598 1 5 . 1 1 56 56 VAL CB C 56 35.570 35.570 33.088 2.482 19438 3599 1 5 . 1 1 56 56 VAL H H 56 8.648 8.648 8.877 -0.229 19438 3600 1 5 . 1 1 57 57 GLU N N 57 126.130 126.130 129.673 -3.543 19438 3601 1 5 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.634 -0.122 19438 3602 1 5 . 1 1 57 57 GLU C C 57 174.090 174.090 174.853 -0.763 19438 3603 1 5 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.582 -0.032 19438 3604 1 5 . 1 1 57 57 GLU CB C 57 33.910 33.910 32.972 0.938 19438 3605 1 5 . 1 1 57 57 GLU H H 57 8.122 8.122 8.880 -0.758 19438 3606 1 5 . 1 1 58 58 GLU N N 58 124.740 124.740 125.475 -0.735 19438 3607 1 5 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.720 -0.033 19438 3608 1 5 . 1 1 58 58 GLU C C 58 175.410 175.410 175.902 -0.492 19438 3609 1 5 . 1 1 58 58 GLU CA C 58 55.990 55.990 56.671 -0.681 19438 3610 1 5 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.703 -0.373 19438 3611 1 5 . 1 1 58 58 GLU H H 58 8.610 8.610 8.686 -0.076 19438 3612 1 5 . 1 1 59 59 LEU N N 59 126.780 126.780 124.222 2.558 19438 3613 1 5 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.696 0.015 19438 3614 1 5 . 1 1 59 59 LEU C C 59 175.970 175.970 176.083 -0.113 19438 3615 1 5 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.120 0.660 19438 3616 1 5 . 1 1 59 59 LEU CB C 59 45.320 45.320 46.232 -0.912 19438 3617 1 5 . 1 1 59 59 LEU H H 59 8.259 8.259 8.980 -0.721 19438 3618 1 5 . 1 1 60 60 GLU N N 60 119.810 119.810 118.952 0.858 19438 3619 1 5 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.624 -0.276 19438 3620 1 5 . 1 1 60 60 GLU C C 60 177.560 177.560 176.577 0.983 19438 3621 1 5 . 1 1 60 60 GLU CA C 60 57.340 57.340 54.891 2.449 19438 3622 1 5 . 1 1 60 60 GLU CB C 60 30.260 30.260 31.066 -0.806 19438 3623 1 5 . 1 1 60 60 GLU H H 60 8.258 8.258 8.392 -0.134 19438 3624 1 5 . 1 1 61 61 GLY N N 61 117.720 117.720 107.396 10.324 19438 3625 1 5 . 1 1 61 61 GLY C C 61 174.320 174.320 173.737 0.583 19438 3626 1 5 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.083 0.487 19438 3627 1 5 . 1 1 61 61 GLY H H 61 8.726 8.726 8.156 0.570 19438 3628 1 5 . 1 1 62 62 GLU N N 62 121.700 121.700 119.119 2.581 19438 3629 1 5 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.166 0.365 19438 3630 1 5 . 1 1 62 62 GLU C C 62 177.690 177.690 177.240 0.450 19438 3631 1 5 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.735 -1.185 19438 3632 1 5 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.461 0.839 19438 3633 1 5 . 1 1 62 62 GLU H H 62 9.337 9.337 8.109 1.228 19438 3634 1 5 . 1 1 63 63 ASP N N 63 120.760 120.760 118.789 1.971 19438 3635 1 5 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.428 -0.098 19438 3636 1 5 . 1 1 63 63 ASP C C 63 178.080 178.080 176.598 1.482 19438 3637 1 5 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.164 0.766 19438 3638 1 5 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.970 -0.200 19438 3639 1 5 . 1 1 63 63 ASP H H 63 8.632 8.632 8.652 -0.020 19438 3640 1 5 . 1 1 64 64 CYS N N 64 113.520 113.520 115.658 -2.138 19438 3641 1 5 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.388 0.044 19438 3642 1 5 . 1 1 64 64 CYS C C 64 173.700 173.700 173.888 -0.188 19438 3643 1 5 . 1 1 64 64 CYS CA C 64 57.170 57.170 58.394 -1.224 19438 3644 1 5 . 1 1 64 64 CYS CB C 64 41.210 41.210 26.408 14.802 19438 3645 1 5 . 1 1 64 64 CYS H H 64 7.962 7.962 8.353 -0.391 19438 3646 1 5 . 1 1 65 65 ASP N N 65 120.200 120.200 119.470 0.730 19438 3647 1 5 . 1 1 65 65 ASP HA H 65 5.190 5.190 5.269 -0.079 19438 3648 1 5 . 1 1 65 65 ASP C C 65 176.540 176.540 175.963 0.577 19438 3649 1 5 . 1 1 65 65 ASP CA C 65 54.310 54.310 53.814 0.496 19438 3650 1 5 . 1 1 65 65 ASP CB C 65 41.150 41.150 43.283 -2.133 19438 3651 1 5 . 1 1 65 65 ASP H H 65 7.936 7.936 7.727 0.209 19438 3652 1 5 . 1 1 66 66 VAL N N 66 122.070 122.070 118.765 3.305 19438 3653 1 5 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.210 0.057 19438 3654 1 5 . 1 1 66 66 VAL C C 66 176.000 176.000 175.842 0.158 19438 3655 1 5 . 1 1 66 66 VAL CA C 66 63.190 63.190 63.424 -0.234 19438 3656 1 5 . 1 1 66 66 VAL CB C 66 32.430 32.430 33.308 -0.878 19438 3657 1 5 . 1 1 66 66 VAL H H 66 9.431 9.431 8.934 0.497 19438 3658 1 5 . 1 1 67 67 LEU N N 67 119.700 119.700 118.514 1.186 19438 3659 1 5 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.668 -0.029 19438 3660 1 5 . 1 1 67 67 LEU C C 67 174.400 174.400 173.733 0.667 19438 3661 1 5 . 1 1 67 67 LEU CA C 67 55.100 55.100 55.135 -0.035 19438 3662 1 5 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.309 -0.289 19438 3663 1 5 . 1 1 67 67 LEU H H 67 7.625 7.625 7.395 0.230 19438 3664 1 5 . 1 1 68 68 TYR N N 68 126.330 126.330 124.044 2.286 19438 3665 1 5 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.094 0.756 19438 3666 1 5 . 1 1 68 68 TYR C C 68 173.460 173.460 173.000 0.460 19438 3667 1 5 . 1 1 68 68 TYR CA C 68 54.660 54.660 56.488 -1.828 19438 3668 1 5 . 1 1 68 68 TYR CB C 68 38.140 38.140 42.326 -4.186 19438 3669 1 5 . 1 1 68 68 TYR H H 68 9.086 9.086 8.789 0.297 19438 3670 1 5 . 1 1 69 69 ARG N N 69 127.440 127.440 128.360 -0.920 19438 3671 1 5 . 1 1 69 69 ARG HA H 69 4.860 4.860 4.721 0.139 19438 3672 1 5 . 1 1 69 69 ARG C C 69 173.030 173.030 174.008 -0.978 19438 3673 1 5 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.543 -0.113 19438 3674 1 5 . 1 1 69 69 ARG CB C 69 35.030 35.030 32.601 2.429 19438 3675 1 5 . 1 1 69 69 ARG H H 69 9.569 9.569 9.282 0.287 19438 3676 1 5 . 1 1 70 70 LYS N N 70 122.850 122.850 128.553 -5.703 19438 3677 1 5 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.105 -0.100 19438 3678 1 5 . 1 1 70 70 LYS C C 70 175.830 175.830 174.536 1.294 19438 3679 1 5 . 1 1 70 70 LYS CA C 70 54.690 54.690 54.650 0.040 19438 3680 1 5 . 1 1 70 70 LYS CB C 70 36.040 36.040 35.186 0.854 19438 3681 1 5 . 1 1 70 70 LYS H H 70 8.612 8.612 8.963 -0.351 19438 3682 1 5 . 1 1 71 71 TYR N N 71 129.420 129.420 126.638 2.782 19438 3683 1 5 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.334 -0.032 19438 3684 1 5 . 1 1 71 71 TYR C C 71 175.710 175.710 175.765 -0.055 19438 3685 1 5 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.111 0.849 19438 3686 1 5 . 1 1 71 71 TYR CB C 71 40.330 40.330 40.904 -0.574 19438 3687 1 5 . 1 1 71 71 TYR H H 71 9.762 9.762 9.429 0.333 19438 3688 1 5 . 1 1 72 72 THR N N 72 119.820 119.820 121.312 -1.492 19438 3689 1 5 . 1 1 72 72 THR HA H 72 4.707 4.707 4.602 0.105 19438 3690 1 5 . 1 1 72 72 THR C C 72 173.860 173.860 173.649 0.211 19438 3691 1 5 . 1 1 72 72 THR CA C 72 63.250 63.250 62.974 0.276 19438 3692 1 5 . 1 1 72 72 THR CB C 72 69.370 69.370 68.954 0.416 19438 3693 1 5 . 1 1 72 72 THR H H 72 8.845 8.845 9.255 -0.410 19438 3694 1 5 . 1 1 73 73 LEU N N 73 125.420 125.420 128.856 -3.436 19438 3695 1 5 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.211 -0.082 19438 3696 1 5 . 1 1 73 73 LEU C C 73 175.760 175.760 175.801 -0.041 19438 3697 1 5 . 1 1 73 73 LEU CA C 73 54.080 54.080 53.949 0.132 19438 3698 1 5 . 1 1 73 73 LEU CB C 73 45.350 45.350 43.645 1.706 19438 3699 1 5 . 1 1 73 73 LEU H H 73 8.929 8.929 9.408 -0.479 19438 3700 1 5 . 1 1 74 74 GLU N N 74 120.090 120.090 124.072 -3.982 19438 3701 1 5 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.384 -0.170 19438 3702 1 5 . 1 1 74 74 GLU C C 74 175.400 175.400 174.359 1.041 19438 3703 1 5 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.160 0.580 19438 3704 1 5 . 1 1 74 74 GLU CB C 74 33.040 33.040 34.286 -1.246 19438 3705 1 5 . 1 1 74 74 GLU H H 74 8.311 8.311 9.261 -0.950 19438 3706 1 5 . 1 1 75 75 LYS N N 75 124.230 124.230 123.047 1.183 19438 3707 1 5 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.772 -0.299 19438 3708 1 5 . 1 1 75 75 LYS C C 75 175.380 175.380 175.176 0.204 19438 3709 1 5 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.127 2.933 19438 3710 1 5 . 1 1 75 75 LYS CB C 75 35.740 35.740 36.146 -0.406 19438 3711 1 5 . 1 1 75 75 LYS H H 75 8.691 8.691 9.077 -0.386 19438 3712 1 5 . 1 1 76 76 GLU N N 76 127.760 127.760 120.141 7.619 19438 3713 1 5 . 1 1 76 76 GLU HA H 76 3.903 3.903 4.176 -0.273 19438 3714 1 5 . 1 1 76 76 GLU C C 76 176.190 176.190 176.597 -0.407 19438 3715 1 5 . 1 1 76 76 GLU CA C 76 57.450 57.450 56.750 0.700 19438 3716 1 5 . 1 1 76 76 GLU CB C 76 27.830 27.830 27.048 0.782 19438 3717 1 5 . 1 1 76 76 GLU H H 76 9.556 9.556 8.822 0.734 19438 3718 1 5 . 1 1 77 77 GLY N N 77 106.560 106.560 112.316 -5.756 19438 3719 1 5 . 1 1 77 77 GLY C C 77 174.320 174.320 174.166 0.154 19438 3720 1 5 . 1 1 77 77 GLY CA C 77 45.640 45.640 45.115 0.525 19438 3721 1 5 . 1 1 77 77 GLY H H 77 8.928 8.928 8.308 0.620 19438 3722 1 5 . 1 1 78 78 LYS N N 78 121.600 121.600 120.959 0.641 19438 3723 1 5 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.593 -0.008 19438 3724 1 5 . 1 1 78 78 LYS C C 78 175.240 175.240 174.275 0.965 19438 3725 1 5 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.481 -0.101 19438 3726 1 5 . 1 1 78 78 LYS CB C 78 33.490 33.490 35.690 -2.200 19438 3727 1 5 . 1 1 78 78 LYS H H 78 8.015 8.015 7.760 0.255 19438 3728 1 5 . 1 1 79 79 LYS N N 79 120.990 120.990 119.381 1.609 19438 3729 1 5 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.006 0.193 19438 3730 1 5 . 1 1 79 79 LYS C C 79 176.150 176.150 174.736 1.414 19438 3731 1 5 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.410 0.660 19438 3732 1 5 . 1 1 79 79 LYS CB C 79 35.080 35.080 36.381 -1.301 19438 3733 1 5 . 1 1 79 79 LYS H H 79 8.438 8.438 8.470 -0.032 19438 3734 1 5 . 1 1 80 80 GLY N N 80 107.840 107.840 107.143 0.697 19438 3735 1 5 . 1 1 80 80 GLY C C 80 170.430 170.430 171.857 -1.427 19438 3736 1 5 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.651 -0.391 19438 3737 1 5 . 1 1 80 80 GLY H H 80 8.391 8.391 8.422 -0.031 19438 3738 1 5 . 1 1 81 81 ILE N N 81 120.670 120.670 119.295 1.375 19438 3739 1 5 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.061 0.221 19438 3740 1 5 . 1 1 81 81 ILE C C 81 175.210 175.210 174.714 0.496 19438 3741 1 5 . 1 1 81 81 ILE CA C 81 58.640 58.640 60.134 -1.494 19438 3742 1 5 . 1 1 81 81 ILE CB C 81 42.420 42.420 41.616 0.804 19438 3743 1 5 . 1 1 81 81 ILE H H 81 8.623 8.623 9.174 -0.551 19438 3744 1 5 . 1 1 82 82 VAL N N 82 121.970 121.970 125.673 -3.703 19438 3745 1 5 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.674 0.040 19438 3746 1 5 . 1 1 82 82 VAL C C 82 174.230 174.230 174.847 -0.617 19438 3747 1 5 . 1 1 82 82 VAL CA C 82 61.010 61.010 60.780 0.230 19438 3748 1 5 . 1 1 82 82 VAL CB C 82 35.260 35.260 32.304 2.956 19438 3749 1 5 . 1 1 82 82 VAL H H 82 8.967 8.967 9.167 -0.200 19438 3750 1 5 . 1 1 83 83 HIS N N 83 129.690 129.690 127.919 1.771 19438 3751 1 5 . 1 1 83 83 HIS HA H 83 5.219 5.219 4.959 0.260 19438 3752 1 5 . 1 1 83 83 HIS C C 83 174.960 174.960 174.055 0.905 19438 3753 1 5 . 1 1 83 83 HIS CA C 83 55.440 55.440 55.039 0.400 19438 3754 1 5 . 1 1 83 83 HIS CB C 83 32.240 32.240 30.269 1.971 19438 3755 1 5 . 1 1 83 83 HIS H H 83 8.960 8.960 9.480 -0.520 19438 3756 1 5 . 1 1 84 84 VAL N N 84 125.620 125.620 126.953 -1.333 19438 3757 1 5 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.839 0.287 19438 3758 1 5 . 1 1 84 84 VAL C C 84 174.590 174.590 174.463 0.127 19438 3759 1 5 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.291 0.939 19438 3760 1 5 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.525 1.495 19438 3761 1 5 . 1 1 84 84 VAL H H 84 9.834 9.834 9.217 0.617 19438 3762 1 5 . 1 1 85 85 LYS N N 85 125.370 125.370 126.664 -1.294 19438 3763 1 5 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.106 0.358 19438 3764 1 5 . 1 1 85 85 LYS C C 85 174.890 174.890 174.599 0.291 19438 3765 1 5 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.513 0.697 19438 3766 1 5 . 1 1 85 85 LYS CB C 85 36.430 36.430 36.410 0.020 19438 3767 1 5 . 1 1 85 85 LYS H H 85 9.517 9.517 9.049 0.468 19438 3768 1 5 . 1 1 86 86 LEU N N 86 123.830 123.830 122.662 1.168 19438 3769 1 5 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.623 0.524 19438 3770 1 5 . 1 1 86 86 LEU C C 86 174.760 174.760 175.435 -0.675 19438 3771 1 5 . 1 1 86 86 LEU CA C 86 54.210 54.210 54.136 0.074 19438 3772 1 5 . 1 1 86 86 LEU CB C 86 44.830 44.830 43.564 1.266 19438 3773 1 5 . 1 1 86 86 LEU H H 86 8.400 8.400 9.018 -0.618 19438 3774 1 5 . 1 1 87 87 ARG N N 87 128.610 128.610 124.519 4.091 19438 3775 1 5 . 1 1 87 87 ARG HA H 87 5.473 5.473 4.967 0.506 19438 3776 1 5 . 1 1 87 87 ARG C C 87 176.130 176.130 174.488 1.642 19438 3777 1 5 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.519 0.452 19438 3778 1 5 . 1 1 87 87 ARG CB C 87 34.230 34.230 34.219 0.010 19438 3779 1 5 . 1 1 87 87 ARG H H 87 9.647 9.647 9.244 0.403 19438 3780 1 5 . 1 1 88 88 LYS N N 88 122.810 122.810 128.211 -5.401 19438 3781 1 5 . 1 1 88 88 LYS HA H 88 4.138 4.138 4.118 0.020 19438 3782 1 5 . 1 1 88 88 LYS C C 88 174.890 174.890 175.270 -0.380 19438 3783 1 5 . 1 1 88 88 LYS CA C 88 56.330 56.330 55.578 0.752 19438 3784 1 5 . 1 1 88 88 LYS CB C 88 34.310 34.310 32.855 1.455 19438 3785 1 5 . 1 1 88 88 LYS H H 88 8.510 8.510 8.798 -0.288 19438 3786 1 5 . 1 1 89 89 ILE N N 89 120.880 120.880 130.515 -9.635 19438 3787 1 5 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.412 0.219 19438 3788 1 5 . 1 1 89 89 ILE C C 89 176.400 176.400 174.439 1.961 19438 3789 1 5 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.321 -0.651 19438 3790 1 5 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.911 -1.192 19438 3791 1 5 . 1 1 89 89 ILE H H 89 7.470 7.470 8.147 -0.677 19438 3792 1 5 . 1 1 90 90 THR N N 90 116.610 116.610 122.196 -5.586 19438 3793 1 5 . 1 1 90 90 THR HA H 90 4.700 4.700 4.594 0.106 19438 3794 1 5 . 1 1 90 90 THR CA C 90 59.100 59.100 60.181 -1.081 19438 3795 1 5 . 1 1 90 90 THR CB C 90 72.600 72.600 70.726 1.874 19438 3796 1 5 . 1 1 90 90 THR H H 90 7.701 7.701 8.453 -0.752 19438 3797 1 5 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.214 -0.184 19438 3798 1 5 . 1 1 91 91 GLU C C 91 177.100 177.100 177.015 0.085 19438 3799 1 5 . 1 1 91 91 GLU CA C 91 59.640 59.640 58.181 1.458 19438 3800 1 5 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.623 -0.573 19438 3801 1 5 . 1 1 92 92 ASN N N 92 113.650 113.650 115.539 -1.889 19438 3802 1 5 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.759 -0.059 19438 3803 1 5 . 1 1 92 92 ASN C C 92 174.100 174.100 174.475 -0.375 19438 3804 1 5 . 1 1 92 92 ASN CA C 92 53.490 53.490 54.010 -0.520 19438 3805 1 5 . 1 1 92 92 ASN CB C 92 39.270 39.270 39.383 -0.112 19438 3806 1 5 . 1 1 92 92 ASN H H 92 7.915 7.915 8.360 -0.445 19438 3807 1 5 . 1 1 93 93 CYS N N 93 120.190 120.190 120.918 -0.728 19438 3808 1 5 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.969 0.107 19438 3809 1 5 . 1 1 93 93 CYS CA C 93 52.610 52.610 56.158 -3.548 19438 3810 1 5 . 1 1 93 93 CYS CB C 93 42.090 42.090 30.248 11.842 19438 3811 1 5 . 1 1 93 93 CYS H H 93 7.514 7.514 7.384 0.130 19438 3812 1 5 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.753 0.037 19438 3813 1 5 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.384 0.116 19438 3814 1 5 . 1 1 95 95 PRO C C 95 177.770 177.770 176.528 1.242 19438 3815 1 5 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.664 0.076 19438 3816 1 5 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.199 -0.099 19438 3817 1 5 . 1 1 96 96 VAL N N 96 123.600 123.600 119.996 3.604 19438 3818 1 5 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.064 -0.117 19438 3819 1 5 . 1 1 96 96 VAL C C 96 175.780 175.780 175.972 -0.192 19438 3820 1 5 . 1 1 96 96 VAL CA C 96 62.100 62.100 62.453 -0.353 19438 3821 1 5 . 1 1 96 96 VAL CB C 96 32.580 32.580 32.405 0.175 19438 3822 1 5 . 1 1 96 96 VAL H H 96 9.071 9.071 9.259 -0.188 19438 3823 1 5 . 1 1 97 97 ASP N N 97 125.400 125.400 126.441 -1.041 19438 3824 1 5 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.796 -0.126 19438 3825 1 5 . 1 1 97 97 ASP C C 97 175.410 175.410 175.926 -0.516 19438 3826 1 5 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.967 0.043 19438 3827 1 5 . 1 1 97 97 ASP CB C 97 41.580 41.580 40.324 1.256 19438 3828 1 5 . 1 1 97 97 ASP H H 97 8.313 8.313 8.619 -0.306 19438 3829 1 5 . 1 1 98 98 GLY N N 98 108.310 108.310 107.893 0.417 19438 3830 1 5 . 1 1 98 98 GLY C C 98 173.140 173.140 173.130 0.010 19438 3831 1 5 . 1 1 98 98 GLY CA C 98 45.270 45.270 44.188 1.081 19438 3832 1 5 . 1 1 98 98 GLY H H 98 7.838 7.838 7.543 0.295 19438 3833 1 5 . 1 1 99 99 ASN N N 99 120.050 120.050 120.427 -0.377 19438 3834 1 5 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.655 0.527 19438 3835 1 5 . 1 1 99 99 ASN C C 99 174.700 174.700 175.168 -0.468 19438 3836 1 5 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.226 -0.106 19438 3837 1 5 . 1 1 99 99 ASN CB C 99 39.360 39.360 38.745 0.615 19438 3838 1 5 . 1 1 99 99 ASN H H 99 8.685 8.685 8.676 0.009 19438 3839 1 5 . 1 1 100 100 ARG N N 100 121.100 121.100 124.552 -3.452 19438 3840 1 5 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.820 0.089 19438 3841 1 5 . 1 1 100 100 ARG C C 100 176.930 176.930 175.865 1.065 19438 3842 1 5 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.496 0.314 19438 3843 1 5 . 1 1 100 100 ARG CB C 100 31.710 31.710 29.092 2.618 19438 3844 1 5 . 1 1 100 100 ARG H H 100 8.502 8.502 8.039 0.463 19438 3845 1 5 . 1 1 101 101 CYS N N 101 121.180 121.180 123.309 -2.129 19438 3846 1 5 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.410 0.296 19438 3847 1 5 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.400 -3.130 19438 3848 1 5 . 1 1 101 101 CYS H H 101 8.607 8.607 8.237 0.370 19438 3849 1 5 . 1 1 102 102 SER HA H 102 4.565 4.565 4.456 0.109 19438 3850 1 5 . 1 1 102 102 SER C C 102 174.220 174.220 173.957 0.263 19438 3851 1 5 . 1 1 102 102 SER CA C 102 57.900 57.900 58.627 -0.727 19438 3852 1 5 . 1 1 102 102 SER CB C 102 63.700 63.700 62.284 1.416 19438 3853 1 5 . 1 1 103 103 VAL N N 103 122.910 122.910 125.065 -2.155 19438 3854 1 5 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.203 0.019 19438 3855 1 5 . 1 1 103 103 VAL C C 103 175.070 175.070 175.474 -0.404 19438 3856 1 5 . 1 1 103 103 VAL CA C 103 62.440 62.440 62.129 0.311 19438 3857 1 5 . 1 1 103 103 VAL H H 103 8.332 8.332 8.529 -0.197 19438 3858 1 5 . 1 1 104 104 LEU N N 104 125.940 125.940 125.484 0.456 19438 3859 1 5 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.715 -0.302 19438 3860 1 5 . 1 1 104 104 LEU C C 104 177.220 177.220 175.712 1.508 19438 3861 1 5 . 1 1 104 104 LEU CA C 104 55.930 55.930 55.815 0.115 19438 3862 1 5 . 1 1 104 104 LEU CB C 104 42.890 42.890 44.414 -1.524 19438 3863 1 5 . 1 1 104 104 LEU H H 104 8.831 8.831 9.094 -0.263 19438 3864 1 5 . 1 1 105 105 GLU N N 105 120.540 120.540 117.460 3.080 19438 3865 1 5 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.555 -0.144 19438 3866 1 5 . 1 1 105 105 GLU C C 105 175.400 175.400 176.316 -0.916 19438 3867 1 5 . 1 1 105 105 GLU CA C 105 55.890 55.890 55.164 0.726 19438 3868 1 5 . 1 1 105 105 GLU CB C 105 30.460 30.460 32.415 -1.955 19438 3869 1 5 . 1 1 105 105 GLU H H 105 8.070 8.070 7.832 0.238 19438 3870 1 5 . 1 1 106 106 PHE N N 106 124.060 124.060 123.655 0.405 19438 3871 1 5 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.121 -0.060 19438 3872 1 5 . 1 1 106 106 PHE C C 106 175.880 175.880 176.183 -0.303 19438 3873 1 5 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.580 0.540 19438 3874 1 5 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.514 0.156 19438 3875 1 5 . 1 1 106 106 PHE H H 106 8.666 8.666 8.885 -0.219 19438 3876 1 5 . 1 1 107 107 GLU N N 107 117.290 117.290 118.350 -1.060 19438 3877 1 5 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.756 0.130 19438 3878 1 5 . 1 1 107 107 GLU C C 107 178.050 178.050 178.723 -0.673 19438 3879 1 5 . 1 1 107 107 GLU CA C 107 59.360 59.360 59.062 0.298 19438 3880 1 5 . 1 1 107 107 GLU CB C 107 29.330 29.330 28.984 0.346 19438 3881 1 5 . 1 1 107 107 GLU H H 107 8.932 8.932 8.696 0.236 19438 3882 1 5 . 1 1 108 108 ARG N N 108 117.240 117.240 119.486 -2.246 19438 3883 1 5 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.243 0.065 19438 3884 1 5 . 1 1 108 108 ARG C C 108 177.930 177.930 178.166 -0.236 19438 3885 1 5 . 1 1 108 108 ARG CA C 108 57.120 57.120 57.607 -0.487 19438 3886 1 5 . 1 1 108 108 ARG CB C 108 31.110 31.110 30.161 0.949 19438 3887 1 5 . 1 1 108 108 ARG H H 108 7.533 7.533 8.074 -0.541 19438 3888 1 5 . 1 1 109 109 ASP N N 109 120.040 120.040 122.024 -1.984 19438 3889 1 5 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.332 0.268 19438 3890 1 5 . 1 1 109 109 ASP C C 109 177.980 177.980 178.546 -0.566 19438 3891 1 5 . 1 1 109 109 ASP CA C 109 56.810 56.810 58.157 -1.347 19438 3892 1 5 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.443 1.057 19438 3893 1 5 . 1 1 109 109 ASP H H 109 8.295 8.295 7.809 0.486 19438 3894 1 5 . 1 1 110 110 ILE N N 110 118.710 118.710 119.540 -0.830 19438 3895 1 5 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.646 0.148 19438 3896 1 5 . 1 1 110 110 ILE C C 110 176.740 176.740 176.813 -0.073 19438 3897 1 5 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.131 -1.281 19438 3898 1 5 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.687 -0.657 19438 3899 1 5 . 1 1 110 110 ILE H H 110 8.081 8.081 8.048 0.033 19438 3900 1 5 . 1 1 111 111 GLU N N 111 121.140 121.140 120.553 0.587 19438 3901 1 5 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.927 0.035 19438 3902 1 5 . 1 1 111 111 GLU C C 111 177.400 177.400 178.662 -1.262 19438 3903 1 5 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.815 -0.215 19438 3904 1 5 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.321 -0.021 19438 3905 1 5 . 1 1 111 111 GLU H H 111 7.558 7.558 7.587 -0.029 19438 3906 1 5 . 1 1 112 112 CYS N N 112 117.380 117.380 118.747 -1.367 19438 3907 1 5 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.255 -0.152 19438 3908 1 5 . 1 1 112 112 CYS C C 112 176.570 176.570 177.212 -0.642 19438 3909 1 5 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.177 -2.887 19438 3910 1 5 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.479 15.431 19438 3911 1 5 . 1 1 112 112 CYS H H 112 7.739 7.739 8.112 -0.373 19438 3912 1 5 . 1 1 113 113 ILE N N 113 118.520 118.520 121.193 -2.673 19438 3913 1 5 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.569 0.264 19438 3914 1 5 . 1 1 113 113 ILE C C 113 177.220 177.220 177.711 -0.491 19438 3915 1 5 . 1 1 113 113 ILE CA C 113 63.410 63.410 65.718 -2.308 19438 3916 1 5 . 1 1 113 113 ILE CB C 113 37.430 37.430 37.907 -0.477 19438 3917 1 5 . 1 1 113 113 ILE H H 113 7.682 7.682 7.866 -0.184 19438 3918 1 5 . 1 1 114 114 VAL N N 114 120.390 120.390 120.310 0.080 19438 3919 1 5 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.530 -0.062 19438 3920 1 5 . 1 1 114 114 VAL C C 114 177.970 177.970 177.636 0.334 19438 3921 1 5 . 1 1 114 114 VAL CA C 114 67.960 67.960 67.464 0.496 19438 3922 1 5 . 1 1 114 114 VAL CB C 114 31.730 31.730 31.338 0.392 19438 3923 1 5 . 1 1 114 114 VAL H H 114 7.765 7.765 8.466 -0.701 19438 3924 1 5 . 1 1 115 115 LYS N N 115 118.840 118.840 119.572 -0.732 19438 3925 1 5 . 1 1 115 115 LYS HA H 115 4.129 4.129 4.047 0.082 19438 3926 1 5 . 1 1 115 115 LYS C C 115 178.870 178.870 178.923 -0.053 19438 3927 1 5 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.481 -0.181 19438 3928 1 5 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.047 -0.137 19438 3929 1 5 . 1 1 115 115 LYS H H 115 8.314 8.314 7.959 0.355 19438 3930 1 5 . 1 1 116 116 ALA N N 116 121.000 121.000 123.224 -2.224 19438 3931 1 5 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.161 0.065 19438 3932 1 5 . 1 1 116 116 ALA C C 116 181.600 181.600 179.499 2.101 19438 3933 1 5 . 1 1 116 116 ALA CA C 116 55.320 55.320 54.986 0.334 19438 3934 1 5 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.229 0.421 19438 3935 1 5 . 1 1 116 116 ALA H H 116 7.427 7.427 7.765 -0.338 19438 3936 1 5 . 1 1 117 117 ILE N N 117 120.090 120.090 119.146 0.944 19438 3937 1 5 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.468 -0.155 19438 3938 1 5 . 1 1 117 117 ILE C C 117 177.630 177.630 177.828 -0.198 19438 3939 1 5 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.719 0.791 19438 3940 1 5 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.536 0.324 19438 3941 1 5 . 1 1 117 117 ILE H H 117 8.121 8.121 8.090 0.031 19438 3942 1 5 . 1 1 118 118 GLU N N 118 119.300 119.300 118.661 0.639 19438 3943 1 5 . 1 1 118 118 GLU HA H 118 3.886 3.886 4.029 -0.143 19438 3944 1 5 . 1 1 118 118 GLU C C 118 179.850 179.850 179.284 0.566 19438 3945 1 5 . 1 1 118 118 GLU CA C 118 60.760 60.760 59.803 0.957 19438 3946 1 5 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.044 0.606 19438 3947 1 5 . 1 1 118 118 GLU H H 118 8.657 8.657 8.591 0.066 19438 3948 1 5 . 1 1 119 119 GLU N N 119 119.080 119.080 120.493 -1.413 19438 3949 1 5 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.170 -0.102 19438 3950 1 5 . 1 1 119 119 GLU C C 119 178.670 178.670 178.714 -0.044 19438 3951 1 5 . 1 1 119 119 GLU CA C 119 59.390 59.390 59.267 0.123 19438 3952 1 5 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.421 0.299 19438 3953 1 5 . 1 1 119 119 GLU H H 119 8.596 8.596 8.010 0.586 19438 3954 1 5 . 1 1 120 120 CYS N N 120 117.950 117.950 119.422 -1.472 19438 3955 1 5 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.800 -0.358 19438 3956 1 5 . 1 1 120 120 CYS C C 120 177.280 177.280 177.353 -0.073 19438 3957 1 5 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.163 -3.683 19438 3958 1 5 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.062 13.358 19438 3959 1 5 . 1 1 120 120 CYS H H 120 7.686 7.686 8.001 -0.315 19438 3960 1 5 . 1 1 121 121 LEU N N 121 118.000 118.000 120.528 -2.528 19438 3961 1 5 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.309 -0.288 19438 3962 1 5 . 1 1 121 121 LEU C C 121 179.010 179.010 179.743 -0.733 19438 3963 1 5 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.537 0.133 19438 3964 1 5 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.754 -0.374 19438 3965 1 5 . 1 1 121 121 LEU H H 121 8.194 8.194 8.456 -0.262 19438 3966 1 5 . 1 1 122 122 ALA N N 122 119.940 119.940 122.407 -2.467 19438 3967 1 5 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.180 0.046 19438 3968 1 5 . 1 1 122 122 ALA C C 122 179.040 179.040 178.624 0.416 19438 3969 1 5 . 1 1 122 122 ALA CA C 122 54.160 54.160 54.673 -0.513 19438 3970 1 5 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.931 -0.051 19438 3971 1 5 . 1 1 122 122 ALA H H 122 7.974 7.974 8.034 -0.060 19438 3972 1 5 . 1 1 123 123 LYS N N 123 117.940 117.940 115.436 2.504 19438 3973 1 5 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.222 -0.031 19438 3974 1 5 . 1 1 123 123 LYS C C 123 177.770 177.770 177.198 0.572 19438 3975 1 5 . 1 1 123 123 LYS CA C 123 57.710 57.710 55.154 2.556 19438 3976 1 5 . 1 1 123 123 LYS CB C 123 32.570 32.570 32.282 0.288 19438 3977 1 5 . 1 1 123 123 LYS H H 123 7.774 7.774 8.063 -0.289 19438 3978 1 5 . 1 1 124 124 GLY N N 124 107.510 107.510 109.067 -1.557 19438 3979 1 5 . 1 1 124 124 GLY C C 124 174.290 174.290 173.731 0.559 19438 3980 1 5 . 1 1 124 124 GLY CA C 124 46.060 46.060 45.465 0.595 19438 3981 1 5 . 1 1 124 124 GLY H H 124 8.084 8.084 7.368 0.716 19438 3982 1 5 . 1 1 125 125 GLU N N 125 120.170 120.170 119.359 0.811 19438 3983 1 5 . 1 1 125 125 GLU HA H 125 4.318 4.318 4.316 0.002 19438 3984 1 5 . 1 1 125 125 GLU C C 125 176.940 176.940 174.440 2.500 19438 3985 1 5 . 1 1 125 125 GLU CA C 125 56.780 56.780 55.766 1.014 19438 3986 1 5 . 1 1 125 125 GLU CB C 125 30.760 30.760 30.811 -0.050 19438 3987 1 5 . 1 1 125 125 GLU H H 125 7.997 7.997 7.965 0.032 19438 3988 1 5 . 1 1 126 126 LEU N N 126 122.210 122.210 119.658 2.552 19438 3989 1 5 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.597 -0.287 19438 3990 1 5 . 1 1 126 126 LEU C C 126 177.320 177.320 174.348 2.972 19438 3991 1 5 . 1 1 126 126 LEU CA C 126 55.940 55.940 54.396 1.544 19438 3992 1 5 . 1 1 126 126 LEU CB C 126 42.540 42.540 45.559 -3.019 19438 3993 1 5 . 1 1 126 126 LEU H H 126 8.218 8.218 7.518 0.700 19438 3994 1 5 . 1 1 127 127 ASN N N 127 119.250 119.250 123.534 -4.284 19438 3995 1 5 . 1 1 127 127 ASN HA H 127 4.694 4.694 5.137 -0.443 19438 3996 1 5 . 1 1 127 127 ASN C C 127 175.720 175.720 174.349 1.371 19438 3997 1 5 . 1 1 127 127 ASN CA C 127 53.930 53.930 53.185 0.745 19438 3998 1 5 . 1 1 127 127 ASN CB C 127 38.970 38.970 37.796 1.174 19438 3999 1 5 . 1 1 127 127 ASN H H 127 8.445 8.445 8.681 -0.236 19438 4000 1 5 . 1 1 128 128 SER N N 128 116.060 116.060 121.172 -5.112 19438 4001 1 5 . 1 1 128 128 SER HA H 128 4.373 4.373 4.620 -0.247 19438 4002 1 5 . 1 1 128 128 SER C C 128 174.830 174.830 172.068 2.762 19438 4003 1 5 . 1 1 128 128 SER CA C 128 59.120 59.120 58.018 1.102 19438 4004 1 5 . 1 1 128 128 SER CB C 128 63.830 63.830 65.809 -1.979 19438 4005 1 5 . 1 1 128 128 SER H H 128 8.182 8.182 8.169 0.013 19438 4006 1 5 . 1 1 129 129 LYS N N 129 122.520 122.520 126.734 -4.214 19438 4007 1 5 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.659 -0.301 19438 4008 1 5 . 1 1 129 129 LYS C C 129 176.750 176.750 174.868 1.882 19438 4009 1 5 . 1 1 129 129 LYS CA C 129 56.710 56.710 55.831 0.879 19438 4010 1 5 . 1 1 129 129 LYS CB C 129 32.760 32.760 35.366 -2.606 19438 4011 1 5 . 1 1 129 129 LYS H H 129 8.154 8.154 8.444 -0.290 19438 4012 1 5 . 1 1 130 130 LEU N N 130 122.340 122.340 128.705 -6.365 19438 4013 1 5 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.424 -0.096 19438 4014 1 5 . 1 1 130 130 LEU C C 130 177.430 177.430 175.762 1.668 19438 4015 1 5 . 1 1 130 130 LEU CA C 130 57.430 57.430 53.868 3.562 19438 4016 1 5 . 1 1 130 130 LEU CB C 130 42.380 42.380 42.202 0.178 19438 4017 1 5 . 1 1 130 130 LEU H H 130 8.070 8.070 8.211 -0.141 19438 4018 1 5 . 1 1 131 131 GLU N N 131 121.450 121.450 125.750 -4.300 19438 4019 1 5 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.198 0.097 19438 4020 1 5 . 1 1 131 131 GLU C C 131 176.920 176.920 176.669 0.251 19438 4021 1 5 . 1 1 131 131 GLU CA C 131 56.690 56.690 56.185 0.505 19438 4022 1 5 . 1 1 131 131 GLU CB C 131 30.380 30.380 30.203 0.177 19438 4023 1 5 . 1 1 131 131 GLU H H 131 8.250 8.250 8.329 -0.079 19438 4024 1 5 . 1 1 132 132 GLY N N 132 109.900 109.900 113.907 -4.007 19438 4025 1 5 . 1 1 132 132 GLY C C 132 173.770 173.770 173.713 0.057 19438 4026 1 5 . 1 1 132 132 GLY CA C 132 45.290 45.290 44.904 0.386 19438 4027 1 5 . 1 1 132 132 GLY H H 132 8.334 8.334 8.433 -0.099 19438 4028 1 5 . 1 1 133 133 LYS N N 133 121.920 121.920 120.014 1.906 19438 4029 1 5 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.530 0.134 19438 4030 1 5 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.913 0.237 19438 4031 1 5 . 1 1 133 133 LYS CB C 133 32.710 32.710 34.168 -1.458 19438 4032 1 5 . 1 1 133 133 LYS H H 133 8.037 8.037 8.158 -0.121 19438 4033 1 5 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.474 -0.023 19438 4034 1 5 . 1 1 134 134 PRO C C 134 176.670 176.670 175.975 0.695 19438 4035 1 5 . 1 1 134 134 PRO CA C 134 62.940 62.940 63.194 -0.254 19438 4036 1 5 . 1 1 134 134 PRO CB C 134 31.890 31.890 31.493 0.397 19438 4037 1 5 . 1 1 135 135 ILE N N 135 122.710 122.710 126.010 -3.300 19438 4038 1 5 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.290 0.138 19438 4039 1 5 . 1 1 135 135 ILE CA C 135 58.770 58.770 57.497 1.273 19438 4040 1 5 . 1 1 135 135 ILE CB C 135 38.640 38.640 37.562 1.078 19438 4041 1 5 . 1 1 135 135 ILE H H 135 8.227 8.227 7.781 0.446 19438 4042 1 5 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.432 -0.060 19438 4043 1 5 . 1 1 136 136 PRO C C 136 176.330 176.330 175.606 0.724 19438 4044 1 5 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.455 0.795 19438 4045 1 5 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.457 -0.447 19438 4046 1 5 . 1 1 137 137 ASN HA H 137 4.941 4.941 5.004 -0.063 19438 4047 1 5 . 1 1 137 137 ASN CA C 137 51.270 51.270 51.442 -0.172 19438 4048 1 5 . 1 1 137 137 ASN CB C 137 38.670 38.670 38.854 -0.184 19438 4049 1 5 . 1 1 137 137 ASN H H 137 8.383 8.383 8.478 -0.095 19438 4050 1 5 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.523 -0.119 19438 4051 1 5 . 1 1 138 138 PRO C C 138 177.210 177.210 175.484 1.726 19438 4052 1 5 . 1 1 138 138 PRO CA C 138 63.310 63.310 62.799 0.511 19438 4053 1 5 . 1 1 138 138 PRO CB C 138 32.100 32.100 31.395 0.705 19438 4054 1 5 . 1 1 139 139 LEU N N 139 119.860 119.860 126.753 -6.893 19438 4055 1 5 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.438 -0.137 19438 4056 1 5 . 1 1 139 139 LEU C C 139 177.640 177.640 176.921 0.719 19438 4057 1 5 . 1 1 139 139 LEU CA C 139 55.610 55.610 54.741 0.869 19438 4058 1 5 . 1 1 139 139 LEU CB C 139 41.540 41.540 42.734 -1.194 19438 4059 1 5 . 1 1 139 139 LEU H H 139 8.096 8.096 7.805 0.291 19438 4060 1 5 . 1 1 140 140 LEU N N 140 121.040 121.040 121.655 -0.615 19438 4061 1 5 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.042 0.273 19438 4062 1 5 . 1 1 140 140 LEU C C 140 177.840 177.840 175.910 1.930 19438 4063 1 5 . 1 1 140 140 LEU CA C 140 55.370 55.370 55.536 -0.167 19438 4064 1 5 . 1 1 140 140 LEU CB C 140 42.390 42.390 39.676 2.714 19438 4065 1 5 . 1 1 140 140 LEU H H 140 7.749 7.749 8.576 -0.827 19438 4066 1 5 . 1 1 141 141 GLY N N 141 108.960 108.960 109.706 -0.746 19438 4067 1 5 . 1 1 141 141 GLY C C 141 174.380 174.380 173.480 0.900 19438 4068 1 5 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.239 0.411 19438 4069 1 5 . 1 1 141 141 GLY H H 141 8.231 8.231 8.227 0.004 19438 4070 1 5 . 1 1 142 142 LEU N N 142 121.470 121.470 123.213 -1.743 19438 4071 1 5 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.741 -0.405 19438 4072 1 5 . 1 1 142 142 LEU C C 142 177.390 177.390 175.157 2.233 19438 4073 1 5 . 1 1 142 142 LEU CA C 142 55.630 55.630 55.176 0.454 19438 4074 1 5 . 1 1 142 142 LEU CB C 142 42.600 42.600 43.764 -1.164 19438 4075 1 5 . 1 1 142 142 LEU H H 142 8.004 8.004 8.443 -0.439 19438 4076 1 5 . 1 1 143 143 ASP N N 143 120.770 120.770 122.790 -2.020 19438 4077 1 5 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.667 0.006 19438 4078 1 5 . 1 1 143 143 ASP C C 143 176.870 176.870 175.538 1.332 19438 4079 1 5 . 1 1 143 143 ASP CA C 143 54.400 54.400 53.631 0.769 19438 4080 1 5 . 1 1 143 143 ASP CB C 143 41.170 41.170 41.484 -0.314 19438 4081 1 5 . 1 1 143 143 ASP H H 143 8.380 8.380 8.403 -0.023 19438 4082 1 5 . 1 1 144 144 SER N N 144 116.820 116.820 117.799 -0.979 19438 4083 1 5 . 1 1 144 144 SER HA H 144 4.413 4.413 4.359 0.054 19438 4084 1 5 . 1 1 144 144 SER C C 144 175.300 175.300 174.698 0.602 19438 4085 1 5 . 1 1 144 144 SER CA C 144 59.190 59.190 59.876 -0.686 19438 4086 1 5 . 1 1 144 144 SER CB C 144 63.770 63.770 63.206 0.564 19438 4087 1 5 . 1 1 144 144 SER H H 144 8.298 8.298 8.068 0.230 19438 4088 1 5 . 1 1 145 145 THR N N 145 114.870 114.870 119.527 -4.657 19438 4089 1 5 . 1 1 145 145 THR HA H 145 4.419 4.419 4.345 0.074 19438 4090 1 5 . 1 1 145 145 THR C C 145 175.070 175.070 173.630 1.440 19438 4091 1 5 . 1 1 145 145 THR CA C 145 62.880 62.880 62.349 0.531 19438 4092 1 5 . 1 1 145 145 THR CB C 145 69.710 69.710 69.229 0.481 19438 4093 1 5 . 1 1 145 145 THR H H 145 8.208 8.208 8.496 -0.288 19438 4094 1 5 . 1 1 146 146 ARG N N 146 122.450 122.450 122.627 -0.177 19438 4095 1 5 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.540 -0.158 19438 4096 1 5 . 1 1 146 146 ARG C C 146 176.570 176.570 175.777 0.793 19438 4097 1 5 . 1 1 146 146 ARG CA C 146 56.350 56.350 55.749 0.601 19438 4098 1 5 . 1 1 146 146 ARG CB C 146 30.620 30.620 29.190 1.430 19438 4099 1 5 . 1 1 146 146 ARG H H 146 8.122 8.122 7.944 0.178 19438 4100 1 5 . 1 1 147 147 THR N N 147 113.830 113.830 119.109 -5.279 19438 4101 1 5 . 1 1 147 147 THR HA H 147 4.400 4.400 4.148 0.252 19438 4102 1 5 . 1 1 147 147 THR C C 147 175.200 175.200 174.636 0.564 19438 4103 1 5 . 1 1 147 147 THR CA C 147 62.110 62.110 62.168 -0.058 19438 4104 1 5 . 1 1 147 147 THR CB C 147 69.950 69.950 69.079 0.870 19438 4105 1 5 . 1 1 147 147 THR H H 147 8.039 8.039 8.381 -0.342 19438 4106 1 6 . 1 1 2 2 LYS N N 2 124.740 124.740 126.141 -1.401 19438 4107 1 6 . 1 1 2 2 LYS HA H 2 4.810 4.810 5.128 -0.318 19438 4108 1 6 . 1 1 2 2 LYS C C 2 173.640 173.640 175.834 -2.194 19438 4109 1 6 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.611 -1.651 19438 4110 1 6 . 1 1 2 2 LYS CB C 2 34.850 34.850 33.575 1.275 19438 4111 1 6 . 1 1 2 2 LYS H H 2 8.620 8.620 8.541 0.079 19438 4112 1 6 . 1 1 3 3 TYR N N 3 114.840 114.840 123.189 -8.349 19438 4113 1 6 . 1 1 3 3 TYR HA H 3 5.252 5.252 5.077 0.175 19438 4114 1 6 . 1 1 3 3 TYR C C 3 174.920 174.920 174.790 0.130 19438 4115 1 6 . 1 1 3 3 TYR CA C 3 57.360 57.360 56.979 0.381 19438 4116 1 6 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.983 1.187 19438 4117 1 6 . 1 1 3 3 TYR H H 3 8.927 8.927 9.358 -0.431 19438 4118 1 6 . 1 1 4 4 ASP N N 4 119.790 119.790 122.373 -2.583 19438 4119 1 6 . 1 1 4 4 ASP HA H 4 5.479 5.479 5.107 0.372 19438 4120 1 6 . 1 1 4 4 ASP C C 4 175.780 175.780 175.030 0.750 19438 4121 1 6 . 1 1 4 4 ASP CA C 4 52.900 52.900 54.171 -1.271 19438 4122 1 6 . 1 1 4 4 ASP CB C 4 43.970 43.970 43.082 0.888 19438 4123 1 6 . 1 1 4 4 ASP H H 4 9.170 9.170 9.236 -0.066 19438 4124 1 6 . 1 1 5 5 VAL N N 5 122.030 122.030 126.242 -4.212 19438 4125 1 6 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.447 0.275 19438 4126 1 6 . 1 1 5 5 VAL C C 5 174.520 174.520 173.988 0.532 19438 4127 1 6 . 1 1 5 5 VAL CA C 5 62.100 62.100 61.283 0.817 19438 4128 1 6 . 1 1 5 5 VAL CB C 5 31.720 31.720 33.072 -1.352 19438 4129 1 6 . 1 1 5 5 VAL H H 5 8.733 8.733 8.871 -0.138 19438 4130 1 6 . 1 1 6 6 VAL N N 6 128.380 128.380 131.355 -2.975 19438 4131 1 6 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.584 0.062 19438 4132 1 6 . 1 1 6 6 VAL C C 6 174.330 174.330 174.367 -0.037 19438 4133 1 6 . 1 1 6 6 VAL CA C 6 61.750 61.750 61.642 0.108 19438 4134 1 6 . 1 1 6 6 VAL CB C 6 34.060 34.060 32.206 1.854 19438 4135 1 6 . 1 1 6 6 VAL H H 6 9.338 9.338 9.164 0.174 19438 4136 1 6 . 1 1 7 7 ILE N N 7 127.540 127.540 129.162 -1.622 19438 4137 1 6 . 1 1 7 7 ILE HA H 7 5.160 5.160 4.961 0.199 19438 4138 1 6 . 1 1 7 7 ILE C C 7 175.260 175.260 173.725 1.535 19438 4139 1 6 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.769 1.441 19438 4140 1 6 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.398 -0.298 19438 4141 1 6 . 1 1 7 7 ILE H H 7 9.295 9.295 9.154 0.141 19438 4142 1 6 . 1 1 8 8 ILE N N 8 126.500 126.500 130.076 -3.576 19438 4143 1 6 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.642 0.120 19438 4144 1 6 . 1 1 8 8 ILE CA C 8 58.790 58.790 57.724 1.066 19438 4145 1 6 . 1 1 8 8 ILE CB C 8 41.100 41.100 38.803 2.297 19438 4146 1 6 . 1 1 8 8 ILE H H 8 9.573 9.573 9.176 0.397 19438 4147 1 6 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.170 0.155 19438 4148 1 6 . 1 1 9 9 PRO C C 9 174.390 174.390 175.750 -1.360 19438 4149 1 6 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.279 -0.209 19438 4150 1 6 . 1 1 9 9 PRO CB C 9 31.600 31.600 32.549 -0.949 19438 4151 1 6 . 1 1 10 10 GLU N N 10 120.480 120.480 122.709 -2.229 19438 4152 1 6 . 1 1 10 10 GLU HA H 10 4.773 4.773 5.040 -0.267 19438 4153 1 6 . 1 1 10 10 GLU C C 10 174.950 174.950 175.617 -0.667 19438 4154 1 6 . 1 1 10 10 GLU CA C 10 55.600 55.600 54.086 1.514 19438 4155 1 6 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.417 0.563 19438 4156 1 6 . 1 1 10 10 GLU H H 10 9.218 9.218 8.699 0.519 19438 4157 1 6 . 1 1 11 11 SER N N 11 117.470 117.470 116.823 0.647 19438 4158 1 6 . 1 1 11 11 SER HA H 11 4.686 4.686 4.667 0.019 19438 4159 1 6 . 1 1 11 11 SER C C 11 174.460 174.460 174.927 -0.467 19438 4160 1 6 . 1 1 11 11 SER CA C 11 57.490 57.490 58.222 -0.732 19438 4161 1 6 . 1 1 11 11 SER CB C 11 64.820 64.820 63.822 0.998 19438 4162 1 6 . 1 1 11 11 SER H H 11 8.595 8.595 8.581 0.014 19438 4163 1 6 . 1 1 12 12 PHE N N 12 122.760 122.760 122.734 0.026 19438 4164 1 6 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.667 0.004 19438 4165 1 6 . 1 1 12 12 PHE C C 12 175.440 175.440 174.183 1.257 19438 4166 1 6 . 1 1 12 12 PHE CA C 12 58.580 58.580 54.752 3.828 19438 4167 1 6 . 1 1 12 12 PHE CB C 12 39.940 39.940 36.735 3.205 19438 4168 1 6 . 1 1 12 12 PHE H H 12 8.298 8.298 8.529 -0.231 19438 4169 1 6 . 1 1 13 13 HIS N N 13 120.600 120.600 124.103 -3.503 19438 4170 1 6 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.709 -0.094 19438 4171 1 6 . 1 1 13 13 HIS C C 13 174.530 174.530 175.141 -0.611 19438 4172 1 6 . 1 1 13 13 HIS CA C 13 55.610 55.610 56.820 -1.210 19438 4173 1 6 . 1 1 13 13 HIS CB C 13 31.000 31.000 31.592 -0.592 19438 4174 1 6 . 1 1 13 13 HIS H H 13 8.243 8.243 8.372 -0.129 19438 4175 1 6 . 1 1 14 14 ARG N N 14 122.290 122.290 120.274 2.016 19438 4176 1 6 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.585 -0.366 19438 4177 1 6 . 1 1 14 14 ARG C C 14 176.070 176.070 174.622 1.448 19438 4178 1 6 . 1 1 14 14 ARG CA C 14 56.580 56.580 54.740 1.840 19438 4179 1 6 . 1 1 14 14 ARG CB C 14 30.790 30.790 32.812 -2.022 19438 4180 1 6 . 1 1 14 14 ARG H H 14 8.320 8.320 7.906 0.414 19438 4181 1 6 . 1 1 15 15 PHE N N 15 120.220 120.220 116.695 3.525 19438 4182 1 6 . 1 1 15 15 PHE HA H 15 4.696 4.696 5.233 -0.537 19438 4183 1 6 . 1 1 15 15 PHE C C 15 175.550 175.550 175.443 0.107 19438 4184 1 6 . 1 1 15 15 PHE CA C 15 57.630 57.630 56.884 0.746 19438 4185 1 6 . 1 1 15 15 PHE CB C 15 39.920 39.920 40.790 -0.870 19438 4186 1 6 . 1 1 15 15 PHE H H 15 8.409 8.409 8.217 0.192 19438 4187 1 6 . 1 1 16 16 ASP N N 16 121.370 121.370 126.312 -4.942 19438 4188 1 6 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.770 -0.219 19438 4189 1 6 . 1 1 16 16 ASP C C 16 176.590 176.590 176.293 0.297 19438 4190 1 6 . 1 1 16 16 ASP CA C 16 54.180 54.180 55.201 -1.021 19438 4191 1 6 . 1 1 16 16 ASP CB C 16 41.410 41.410 42.165 -0.755 19438 4192 1 6 . 1 1 16 16 ASP H H 16 8.397 8.397 8.624 -0.227 19438 4193 1 6 . 1 1 17 17 LYS N N 17 119.880 119.880 117.804 2.076 19438 4194 1 6 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.456 -0.289 19438 4195 1 6 . 1 1 17 17 LYS C C 17 176.550 176.550 177.217 -0.667 19438 4196 1 6 . 1 1 17 17 LYS CA C 17 57.110 57.110 57.566 -0.456 19438 4197 1 6 . 1 1 17 17 LYS CB C 17 32.420 32.420 33.917 -1.497 19438 4198 1 6 . 1 1 17 17 LYS H H 17 8.188 8.188 8.587 -0.399 19438 4199 1 6 . 1 1 18 18 HIS N N 18 118.390 118.390 115.891 2.499 19438 4200 1 6 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.780 -0.130 19438 4201 1 6 . 1 1 18 18 HIS C C 18 175.020 175.020 174.657 0.363 19438 4202 1 6 . 1 1 18 18 HIS CA C 18 56.260 56.260 55.912 0.348 19438 4203 1 6 . 1 1 18 18 HIS CB C 18 30.010 30.010 32.191 -2.181 19438 4204 1 6 . 1 1 18 18 HIS H H 18 8.339 8.339 8.350 -0.011 19438 4205 1 6 . 1 1 19 19 ASN N N 19 118.700 118.700 119.928 -1.228 19438 4206 1 6 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.558 0.114 19438 4207 1 6 . 1 1 19 19 ASN C C 19 175.170 175.170 174.232 0.938 19438 4208 1 6 . 1 1 19 19 ASN CA C 19 53.800 53.800 53.851 -0.051 19438 4209 1 6 . 1 1 19 19 ASN CB C 19 38.730 38.730 39.096 -0.366 19438 4210 1 6 . 1 1 19 19 ASN H H 19 8.287 8.287 8.406 -0.119 19438 4211 1 6 . 1 1 20 20 MET N N 20 120.140 120.140 117.225 2.915 19438 4212 1 6 . 1 1 20 20 MET HA H 20 4.475 4.475 4.182 0.293 19438 4213 1 6 . 1 1 20 20 MET C C 20 176.470 176.470 173.590 2.880 19438 4214 1 6 . 1 1 20 20 MET CA C 20 55.640 55.640 56.128 -0.488 19438 4215 1 6 . 1 1 20 20 MET CB C 20 33.500 33.500 31.172 2.328 19438 4216 1 6 . 1 1 20 20 MET H H 20 8.495 8.495 8.801 -0.306 19438 4217 1 6 . 1 1 21 21 GLU N N 21 120.920 120.920 119.052 1.868 19438 4218 1 6 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.132 0.069 19438 4219 1 6 . 1 1 21 21 GLU C C 21 176.380 176.380 173.661 2.719 19438 4220 1 6 . 1 1 21 21 GLU CA C 21 57.330 57.330 55.540 1.790 19438 4221 1 6 . 1 1 21 21 GLU CB C 21 30.080 30.080 31.158 -1.078 19438 4222 1 6 . 1 1 21 21 GLU H H 21 8.450 8.450 8.168 0.282 19438 4223 1 6 . 1 1 22 22 HIS N N 22 119.650 119.650 123.274 -3.624 19438 4224 1 6 . 1 1 22 22 HIS HA H 22 4.687 4.687 5.626 -0.939 19438 4225 1 6 . 1 1 22 22 HIS C C 22 174.470 174.470 173.126 1.344 19438 4226 1 6 . 1 1 22 22 HIS CA C 22 55.980 55.980 55.377 0.603 19438 4227 1 6 . 1 1 22 22 HIS CB C 22 30.530 30.530 31.863 -1.333 19438 4228 1 6 . 1 1 22 22 HIS H H 22 8.334 8.334 8.299 0.035 19438 4229 1 6 . 1 1 23 23 ILE N N 23 121.910 121.910 125.293 -3.383 19438 4230 1 6 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.385 -0.234 19438 4231 1 6 . 1 1 23 23 ILE C C 23 175.870 175.870 174.459 1.411 19438 4232 1 6 . 1 1 23 23 ILE CA C 23 61.170 61.170 58.702 2.468 19438 4233 1 6 . 1 1 23 23 ILE CB C 23 38.850 38.850 41.349 -2.499 19438 4234 1 6 . 1 1 23 23 ILE H H 23 7.782 7.782 8.107 -0.325 19438 4235 1 6 . 1 1 24 24 CYS N N 24 124.920 124.920 126.420 -1.500 19438 4236 1 6 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.805 -0.011 19438 4237 1 6 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.071 -2.941 19438 4238 1 6 . 1 1 24 24 CYS CB C 24 42.470 42.470 28.774 13.696 19438 4239 1 6 . 1 1 24 24 CYS H H 24 8.697 8.697 8.726 -0.029 19438 4240 1 6 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.589 0.141 19438 4241 1 6 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.437 0.317 19438 4242 1 6 . 1 1 26 26 PRO C C 26 175.820 175.820 175.601 0.219 19438 4243 1 6 . 1 1 26 26 PRO CA C 26 62.580 62.580 63.147 -0.567 19438 4244 1 6 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.520 0.070 19438 4245 1 6 . 1 1 27 27 MET N N 27 120.580 120.580 124.599 -4.019 19438 4246 1 6 . 1 1 27 27 MET HA H 27 5.180 5.180 5.219 -0.039 19438 4247 1 6 . 1 1 27 27 MET C C 27 174.810 174.810 174.249 0.561 19438 4248 1 6 . 1 1 27 27 MET CA C 27 53.270 53.270 54.627 -1.357 19438 4249 1 6 . 1 1 27 27 MET CB C 27 34.580 34.580 35.530 -0.950 19438 4250 1 6 . 1 1 27 27 MET H H 27 9.055 9.055 8.935 0.120 19438 4251 1 6 . 1 1 28 28 VAL N N 28 122.030 122.030 126.583 -4.553 19438 4252 1 6 . 1 1 28 28 VAL HA H 28 5.093 5.093 4.825 0.268 19438 4253 1 6 . 1 1 28 28 VAL C C 28 175.710 175.710 174.517 1.193 19438 4254 1 6 . 1 1 28 28 VAL CA C 28 60.650 60.650 60.977 -0.327 19438 4255 1 6 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.557 0.913 19438 4256 1 6 . 1 1 28 28 VAL H H 28 8.575 8.575 9.131 -0.556 19438 4257 1 6 . 1 1 29 29 ILE N N 29 129.440 129.440 126.405 3.035 19438 4258 1 6 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.470 -0.104 19438 4259 1 6 . 1 1 29 29 ILE C C 29 176.490 176.490 174.243 2.247 19438 4260 1 6 . 1 1 29 29 ILE CA C 29 61.260 61.260 60.725 0.535 19438 4261 1 6 . 1 1 29 29 ILE CB C 29 37.960 37.960 39.685 -1.725 19438 4262 1 6 . 1 1 29 29 ILE H H 29 9.200 9.200 8.795 0.405 19438 4263 1 6 . 1 1 30 30 GLY N N 30 112.580 112.580 114.953 -2.373 19438 4264 1 6 . 1 1 30 30 GLY C C 30 175.350 175.350 173.732 1.618 19438 4265 1 6 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.572 1.538 19438 4266 1 6 . 1 1 30 30 GLY H H 30 8.525 8.525 8.708 -0.183 19438 4267 1 6 . 1 1 31 31 ASP N N 31 121.320 121.320 120.376 0.944 19438 4268 1 6 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.671 -0.568 19438 4269 1 6 . 1 1 31 31 ASP C C 31 175.530 175.530 174.833 0.697 19438 4270 1 6 . 1 1 31 31 ASP CA C 31 55.530 55.530 53.855 1.675 19438 4271 1 6 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.126 -1.506 19438 4272 1 6 . 1 1 31 31 ASP H H 31 9.133 9.133 8.042 1.091 19438 4273 1 6 . 1 1 32 32 ARG N N 32 117.600 117.600 120.691 -3.091 19438 4274 1 6 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.872 0.159 19438 4275 1 6 . 1 1 32 32 ARG C C 32 177.060 177.060 175.888 1.172 19438 4276 1 6 . 1 1 32 32 ARG CA C 32 52.790 52.790 54.066 -1.276 19438 4277 1 6 . 1 1 32 32 ARG CB C 32 34.650 34.650 32.336 2.314 19438 4278 1 6 . 1 1 32 32 ARG H H 32 9.529 9.529 7.764 1.765 19438 4279 1 6 . 1 1 33 33 SER N N 33 116.150 116.150 116.086 0.064 19438 4280 1 6 . 1 1 33 33 SER HA H 33 4.819 4.819 5.564 -0.745 19438 4281 1 6 . 1 1 33 33 SER C C 33 174.290 174.290 175.611 -1.321 19438 4282 1 6 . 1 1 33 33 SER CA C 33 58.130 58.130 57.142 0.988 19438 4283 1 6 . 1 1 33 33 SER CB C 33 64.530 64.530 65.281 -0.751 19438 4284 1 6 . 1 1 33 33 SER H H 33 8.400 8.400 8.520 -0.120 19438 4285 1 6 . 1 1 34 34 TYR N N 34 122.110 122.110 122.435 -0.325 19438 4286 1 6 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.664 -0.279 19438 4287 1 6 . 1 1 34 34 TYR C C 34 176.280 176.280 176.707 -0.427 19438 4288 1 6 . 1 1 34 34 TYR CA C 34 63.060 63.060 63.610 -0.550 19438 4289 1 6 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.324 0.026 19438 4290 1 6 . 1 1 34 34 TYR H H 34 9.456 9.456 8.693 0.763 19438 4291 1 6 . 1 1 35 35 ASP N N 35 114.640 114.640 118.786 -4.146 19438 4292 1 6 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.354 -0.288 19438 4293 1 6 . 1 1 35 35 ASP C C 35 179.460 179.460 178.352 1.108 19438 4294 1 6 . 1 1 35 35 ASP CA C 35 57.380 57.380 57.362 0.018 19438 4295 1 6 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.496 -0.656 19438 4296 1 6 . 1 1 35 35 ASP H H 35 8.611 8.611 8.482 0.129 19438 4297 1 6 . 1 1 36 36 ILE N N 36 120.860 120.860 119.763 1.097 19438 4298 1 6 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.780 0.068 19438 4299 1 6 . 1 1 36 36 ILE C C 36 178.000 178.000 177.894 0.106 19438 4300 1 6 . 1 1 36 36 ILE CA C 36 62.660 62.660 63.147 -0.487 19438 4301 1 6 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.168 -0.468 19438 4302 1 6 . 1 1 36 36 ILE H H 36 7.298 7.298 7.478 -0.180 19438 4303 1 6 . 1 1 37 37 ALA N N 37 123.260 123.260 123.594 -0.334 19438 4304 1 6 . 1 1 37 37 ALA HA H 37 3.732 3.732 4.004 -0.272 19438 4305 1 6 . 1 1 37 37 ALA C C 37 179.720 179.720 179.794 -0.074 19438 4306 1 6 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.372 0.348 19438 4307 1 6 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.304 -0.324 19438 4308 1 6 . 1 1 37 37 ALA H H 37 8.906 8.906 8.481 0.425 19438 4309 1 6 . 1 1 38 38 MET N N 38 114.900 114.900 117.588 -2.688 19438 4310 1 6 . 1 1 38 38 MET HA H 38 4.282 4.282 4.008 0.274 19438 4311 1 6 . 1 1 38 38 MET C C 38 178.940 178.940 178.389 0.551 19438 4312 1 6 . 1 1 38 38 MET CA C 38 55.940 55.940 57.027 -1.087 19438 4313 1 6 . 1 1 38 38 MET CB C 38 29.570 29.570 31.231 -1.661 19438 4314 1 6 . 1 1 38 38 MET H H 38 8.237 8.237 8.267 -0.030 19438 4315 1 6 . 1 1 39 39 GLU N N 39 120.020 120.020 120.564 -0.544 19438 4316 1 6 . 1 1 39 39 GLU HA H 39 4.101 4.101 3.936 0.165 19438 4317 1 6 . 1 1 39 39 GLU C C 39 180.880 180.880 178.838 2.042 19438 4318 1 6 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.550 0.080 19438 4319 1 6 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.742 -0.692 19438 4320 1 6 . 1 1 39 39 GLU H H 39 7.517 7.517 8.141 -0.624 19438 4321 1 6 . 1 1 40 40 ILE N N 40 122.000 122.000 120.292 1.708 19438 4322 1 6 . 1 1 40 40 ILE HA H 40 3.710 3.710 3.847 -0.137 19438 4323 1 6 . 1 1 40 40 ILE C C 40 177.890 177.890 177.590 0.300 19438 4324 1 6 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.763 0.477 19438 4325 1 6 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.279 -1.379 19438 4326 1 6 . 1 1 40 40 ILE H H 40 8.220 8.220 7.788 0.432 19438 4327 1 6 . 1 1 41 41 VAL N N 41 120.760 120.760 120.910 -0.150 19438 4328 1 6 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.542 -0.156 19438 4329 1 6 . 1 1 41 41 VAL C C 41 179.090 179.090 177.834 1.256 19438 4330 1 6 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.347 0.513 19438 4331 1 6 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.304 0.026 19438 4332 1 6 . 1 1 41 41 VAL H H 41 8.737 8.737 8.497 0.240 19438 4333 1 6 . 1 1 42 42 ASN N N 42 119.950 119.950 118.411 1.539 19438 4334 1 6 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.481 0.126 19438 4335 1 6 . 1 1 42 42 ASN C C 42 178.080 178.080 177.527 0.553 19438 4336 1 6 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.084 -0.204 19438 4337 1 6 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.074 -0.584 19438 4338 1 6 . 1 1 42 42 ASN H H 42 8.542 8.542 8.723 -0.181 19438 4339 1 6 . 1 1 43 43 GLY N N 43 112.070 112.070 108.859 3.211 19438 4340 1 6 . 1 1 43 43 GLY C C 43 176.070 176.070 176.467 -0.397 19438 4341 1 6 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.159 0.431 19438 4342 1 6 . 1 1 43 43 GLY H H 43 8.387 8.387 7.896 0.491 19438 4343 1 6 . 1 1 44 44 VAL N N 44 122.900 122.900 122.392 0.508 19438 4344 1 6 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.696 -0.169 19438 4345 1 6 . 1 1 44 44 VAL C C 44 176.700 176.700 177.369 -0.669 19438 4346 1 6 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.007 0.833 19438 4347 1 6 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.095 0.155 19438 4348 1 6 . 1 1 44 44 VAL H H 44 9.078 9.078 8.554 0.524 19438 4349 1 6 . 1 1 45 45 ASP N N 45 119.070 119.070 120.154 -1.084 19438 4350 1 6 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.310 -0.118 19438 4351 1 6 . 1 1 45 45 ASP C C 45 176.540 176.540 179.065 -2.525 19438 4352 1 6 . 1 1 45 45 ASP CA C 45 58.490 58.490 57.720 0.770 19438 4353 1 6 . 1 1 45 45 ASP CB C 45 42.940 42.940 41.040 1.900 19438 4354 1 6 . 1 1 45 45 ASP H H 45 7.745 7.745 8.494 -0.749 19438 4355 1 6 . 1 1 46 46 ARG N N 46 115.750 115.750 118.970 -3.220 19438 4356 1 6 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.279 -0.285 19438 4357 1 6 . 1 1 46 46 ARG C C 46 179.760 179.760 178.834 0.926 19438 4358 1 6 . 1 1 46 46 ARG CA C 46 59.630 59.630 58.445 1.185 19438 4359 1 6 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.580 -0.390 19438 4360 1 6 . 1 1 46 46 ARG H H 46 7.557 7.557 7.787 -0.230 19438 4361 1 6 . 1 1 47 47 VAL N N 47 118.740 118.740 121.344 -2.604 19438 4362 1 6 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.733 0.179 19438 4363 1 6 . 1 1 47 47 VAL C C 47 179.150 179.150 177.665 1.485 19438 4364 1 6 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.673 -0.633 19438 4365 1 6 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.927 -0.157 19438 4366 1 6 . 1 1 47 47 VAL H H 47 8.187 8.187 8.083 0.104 19438 4367 1 6 . 1 1 48 48 ILE N N 48 122.340 122.340 120.237 2.103 19438 4368 1 6 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.525 0.172 19438 4369 1 6 . 1 1 48 48 ILE C C 48 178.130 178.130 178.090 0.040 19438 4370 1 6 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.644 0.996 19438 4371 1 6 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.396 -0.766 19438 4372 1 6 . 1 1 48 48 ILE H H 48 8.786 8.786 8.546 0.240 19438 4373 1 6 . 1 1 49 49 LYS N N 49 116.860 116.860 117.241 -0.381 19438 4374 1 6 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.215 -0.156 19438 4375 1 6 . 1 1 49 49 LYS C C 49 178.120 178.120 176.808 1.312 19438 4376 1 6 . 1 1 49 49 LYS CA C 49 60.270 60.270 58.144 2.126 19438 4377 1 6 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.464 0.636 19438 4378 1 6 . 1 1 49 49 LYS H H 49 7.785 7.785 7.692 0.093 19438 4379 1 6 . 1 1 50 50 ALA N N 50 117.520 117.520 120.590 -3.070 19438 4380 1 6 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.423 -0.068 19438 4381 1 6 . 1 1 50 50 ALA C C 50 179.940 179.940 178.715 1.225 19438 4382 1 6 . 1 1 50 50 ALA CA C 50 53.960 53.960 53.521 0.439 19438 4383 1 6 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.738 -0.378 19438 4384 1 6 . 1 1 50 50 ALA H H 50 7.740 7.740 7.217 0.523 19438 4385 1 6 . 1 1 51 51 SER N N 51 111.860 111.860 113.659 -1.799 19438 4386 1 6 . 1 1 51 51 SER HA H 51 4.287 4.287 4.499 -0.212 19438 4387 1 6 . 1 1 51 51 SER C C 51 172.840 172.840 174.021 -1.181 19438 4388 1 6 . 1 1 51 51 SER CA C 51 60.610 60.610 60.698 -0.088 19438 4389 1 6 . 1 1 51 51 SER CB C 51 64.500 64.500 63.930 0.570 19438 4390 1 6 . 1 1 51 51 SER H H 51 7.957 7.957 8.614 -0.657 19438 4391 1 6 . 1 1 52 52 PHE N N 52 116.210 116.210 117.720 -1.510 19438 4392 1 6 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.744 0.033 19438 4393 1 6 . 1 1 52 52 PHE C C 52 174.210 174.210 174.800 -0.590 19438 4394 1 6 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.131 0.159 19438 4395 1 6 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.902 0.678 19438 4396 1 6 . 1 1 52 52 PHE H H 52 7.901 7.901 7.935 -0.034 19438 4397 1 6 . 1 1 53 53 ASN N N 53 117.890 117.890 121.003 -3.113 19438 4398 1 6 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.861 0.041 19438 4399 1 6 . 1 1 53 53 ASN C C 53 175.120 175.120 173.359 1.761 19438 4400 1 6 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.565 1.385 19438 4401 1 6 . 1 1 53 53 ASN CB C 53 37.550 37.550 39.144 -1.594 19438 4402 1 6 . 1 1 53 53 ASN H H 53 8.205 8.205 8.712 -0.507 19438 4403 1 6 . 1 1 54 54 ALA N N 54 125.300 125.300 127.411 -2.111 19438 4404 1 6 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.395 0.046 19438 4405 1 6 . 1 1 54 54 ALA C C 54 176.800 176.800 175.832 0.968 19438 4406 1 6 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.245 1.315 19438 4407 1 6 . 1 1 54 54 ALA CB C 54 24.080 24.080 22.273 1.807 19438 4408 1 6 . 1 1 54 54 ALA H H 54 8.246 8.246 8.023 0.223 19438 4409 1 6 . 1 1 55 55 SER N N 55 115.850 115.850 116.128 -0.278 19438 4410 1 6 . 1 1 55 55 SER HA H 55 4.789 4.789 5.716 -0.927 19438 4411 1 6 . 1 1 55 55 SER C C 55 172.830 172.830 174.006 -1.176 19438 4412 1 6 . 1 1 55 55 SER CA C 55 57.200 57.200 56.132 1.068 19438 4413 1 6 . 1 1 55 55 SER CB C 55 65.460 65.460 65.148 0.312 19438 4414 1 6 . 1 1 55 55 SER H H 55 8.606 8.606 8.441 0.165 19438 4415 1 6 . 1 1 56 56 VAL N N 56 121.700 121.700 122.308 -0.608 19438 4416 1 6 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.609 0.185 19438 4417 1 6 . 1 1 56 56 VAL C C 56 173.160 173.160 173.905 -0.745 19438 4418 1 6 . 1 1 56 56 VAL CA C 56 60.010 60.010 59.991 0.019 19438 4419 1 6 . 1 1 56 56 VAL CB C 56 35.570 35.570 34.782 0.788 19438 4420 1 6 . 1 1 56 56 VAL H H 56 8.648 8.648 8.406 0.242 19438 4421 1 6 . 1 1 57 57 GLU N N 57 126.130 126.130 128.487 -2.357 19438 4422 1 6 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.643 -0.131 19438 4423 1 6 . 1 1 57 57 GLU C C 57 174.090 174.090 174.912 -0.822 19438 4424 1 6 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.630 -0.081 19438 4425 1 6 . 1 1 57 57 GLU CB C 57 33.910 33.910 32.251 1.659 19438 4426 1 6 . 1 1 57 57 GLU H H 57 8.122 8.122 8.999 -0.877 19438 4427 1 6 . 1 1 58 58 GLU N N 58 124.740 124.740 125.641 -0.901 19438 4428 1 6 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.817 -0.130 19438 4429 1 6 . 1 1 58 58 GLU C C 58 175.410 175.410 175.430 -0.020 19438 4430 1 6 . 1 1 58 58 GLU CA C 58 55.990 55.990 55.655 0.335 19438 4431 1 6 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.630 -0.299 19438 4432 1 6 . 1 1 58 58 GLU H H 58 8.610 8.610 8.643 -0.033 19438 4433 1 6 . 1 1 59 59 LEU N N 59 126.780 126.780 123.127 3.653 19438 4434 1 6 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.753 -0.042 19438 4435 1 6 . 1 1 59 59 LEU C C 59 175.970 175.970 175.611 0.359 19438 4436 1 6 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.042 0.738 19438 4437 1 6 . 1 1 59 59 LEU CB C 59 45.320 45.320 46.204 -0.884 19438 4438 1 6 . 1 1 59 59 LEU H H 59 8.259 8.259 9.100 -0.841 19438 4439 1 6 . 1 1 60 60 GLU N N 60 119.810 119.810 119.066 0.744 19438 4440 1 6 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.476 -0.128 19438 4441 1 6 . 1 1 60 60 GLU C C 60 177.560 177.560 176.239 1.321 19438 4442 1 6 . 1 1 60 60 GLU CA C 60 57.340 57.340 55.680 1.660 19438 4443 1 6 . 1 1 60 60 GLU CB C 60 30.260 30.260 30.435 -0.175 19438 4444 1 6 . 1 1 60 60 GLU H H 60 8.258 8.258 8.410 -0.152 19438 4445 1 6 . 1 1 61 61 GLY N N 61 117.720 117.720 112.827 4.893 19438 4446 1 6 . 1 1 61 61 GLY C C 61 174.320 174.320 173.356 0.964 19438 4447 1 6 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.232 0.338 19438 4448 1 6 . 1 1 61 61 GLY H H 61 8.726 8.726 8.516 0.210 19438 4449 1 6 . 1 1 62 62 GLU N N 62 121.700 121.700 118.870 2.830 19438 4450 1 6 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.215 0.316 19438 4451 1 6 . 1 1 62 62 GLU C C 62 177.690 177.690 177.498 0.192 19438 4452 1 6 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.143 -0.593 19438 4453 1 6 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.460 0.840 19438 4454 1 6 . 1 1 62 62 GLU H H 62 9.337 9.337 8.361 0.976 19438 4455 1 6 . 1 1 63 63 ASP N N 63 120.760 120.760 118.914 1.846 19438 4456 1 6 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.399 -0.069 19438 4457 1 6 . 1 1 63 63 ASP C C 63 178.080 178.080 176.853 1.227 19438 4458 1 6 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.283 0.647 19438 4459 1 6 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.802 -0.032 19438 4460 1 6 . 1 1 63 63 ASP H H 63 8.632 8.632 8.896 -0.264 19438 4461 1 6 . 1 1 64 64 CYS N N 64 113.520 113.520 114.305 -0.785 19438 4462 1 6 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.506 -0.074 19438 4463 1 6 . 1 1 64 64 CYS C C 64 173.700 173.700 174.680 -0.980 19438 4464 1 6 . 1 1 64 64 CYS CA C 64 57.170 57.170 58.670 -1.500 19438 4465 1 6 . 1 1 64 64 CYS CB C 64 41.210 41.210 25.874 15.336 19438 4466 1 6 . 1 1 64 64 CYS H H 64 7.962 7.962 8.354 -0.392 19438 4467 1 6 . 1 1 65 65 ASP N N 65 120.200 120.200 119.720 0.480 19438 4468 1 6 . 1 1 65 65 ASP HA H 65 5.190 5.190 5.239 -0.049 19438 4469 1 6 . 1 1 65 65 ASP C C 65 176.540 176.540 176.652 -0.112 19438 4470 1 6 . 1 1 65 65 ASP CA C 65 54.310 54.310 53.747 0.563 19438 4471 1 6 . 1 1 65 65 ASP CB C 65 41.150 41.150 42.584 -1.435 19438 4472 1 6 . 1 1 65 65 ASP H H 65 7.936 7.936 7.716 0.220 19438 4473 1 6 . 1 1 66 66 VAL N N 66 122.070 122.070 118.569 3.501 19438 4474 1 6 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.270 -0.003 19438 4475 1 6 . 1 1 66 66 VAL C C 66 176.000 176.000 175.321 0.679 19438 4476 1 6 . 1 1 66 66 VAL CA C 66 63.190 63.190 63.344 -0.154 19438 4477 1 6 . 1 1 66 66 VAL CB C 66 32.430 32.430 33.698 -1.268 19438 4478 1 6 . 1 1 66 66 VAL H H 66 9.431 9.431 8.914 0.517 19438 4479 1 6 . 1 1 67 67 LEU N N 67 119.700 119.700 119.001 0.699 19438 4480 1 6 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.698 -0.059 19438 4481 1 6 . 1 1 67 67 LEU C C 67 174.400 174.400 173.699 0.701 19438 4482 1 6 . 1 1 67 67 LEU CA C 67 55.100 55.100 55.122 -0.022 19438 4483 1 6 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.386 -0.366 19438 4484 1 6 . 1 1 67 67 LEU H H 67 7.625 7.625 7.427 0.198 19438 4485 1 6 . 1 1 68 68 TYR N N 68 126.330 126.330 125.216 1.114 19438 4486 1 6 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.456 0.394 19438 4487 1 6 . 1 1 68 68 TYR C C 68 173.460 173.460 173.086 0.374 19438 4488 1 6 . 1 1 68 68 TYR CA C 68 54.660 54.660 55.757 -1.097 19438 4489 1 6 . 1 1 68 68 TYR CB C 68 38.140 38.140 41.360 -3.220 19438 4490 1 6 . 1 1 68 68 TYR H H 68 9.086 9.086 8.801 0.285 19438 4491 1 6 . 1 1 69 69 ARG N N 69 127.440 127.440 129.376 -1.936 19438 4492 1 6 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.103 -0.243 19438 4493 1 6 . 1 1 69 69 ARG C C 69 173.030 173.030 174.202 -1.172 19438 4494 1 6 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.536 -0.106 19438 4495 1 6 . 1 1 69 69 ARG CB C 69 35.030 35.030 34.154 0.876 19438 4496 1 6 . 1 1 69 69 ARG H H 69 9.569 9.569 9.465 0.104 19438 4497 1 6 . 1 1 70 70 LYS N N 70 122.850 122.850 127.288 -4.438 19438 4498 1 6 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.407 -0.402 19438 4499 1 6 . 1 1 70 70 LYS C C 70 175.830 175.830 174.776 1.054 19438 4500 1 6 . 1 1 70 70 LYS CA C 70 54.690 54.690 54.996 -0.306 19438 4501 1 6 . 1 1 70 70 LYS CB C 70 36.040 36.040 35.834 0.206 19438 4502 1 6 . 1 1 70 70 LYS H H 70 8.612 8.612 8.994 -0.382 19438 4503 1 6 . 1 1 71 71 TYR N N 71 129.420 129.420 123.848 5.572 19438 4504 1 6 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.479 -0.177 19438 4505 1 6 . 1 1 71 71 TYR C C 71 175.710 175.710 175.264 0.446 19438 4506 1 6 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.275 0.685 19438 4507 1 6 . 1 1 71 71 TYR CB C 71 40.330 40.330 42.956 -2.627 19438 4508 1 6 . 1 1 71 71 TYR H H 71 9.762 9.762 9.272 0.490 19438 4509 1 6 . 1 1 72 72 THR N N 72 119.820 119.820 120.697 -0.877 19438 4510 1 6 . 1 1 72 72 THR HA H 72 4.707 4.707 4.618 0.089 19438 4511 1 6 . 1 1 72 72 THR C C 72 173.860 173.860 173.288 0.572 19438 4512 1 6 . 1 1 72 72 THR CA C 72 63.250 63.250 62.167 1.083 19438 4513 1 6 . 1 1 72 72 THR CB C 72 69.370 69.370 69.400 -0.030 19438 4514 1 6 . 1 1 72 72 THR H H 72 8.845 8.845 8.898 -0.053 19438 4515 1 6 . 1 1 73 73 LEU N N 73 125.420 125.420 128.068 -2.648 19438 4516 1 6 . 1 1 73 73 LEU HA H 73 5.129 5.129 4.839 0.290 19438 4517 1 6 . 1 1 73 73 LEU C C 73 175.760 175.760 175.763 -0.003 19438 4518 1 6 . 1 1 73 73 LEU CA C 73 54.080 54.080 53.834 0.246 19438 4519 1 6 . 1 1 73 73 LEU CB C 73 45.350 45.350 42.971 2.378 19438 4520 1 6 . 1 1 73 73 LEU H H 73 8.929 8.929 9.054 -0.125 19438 4521 1 6 . 1 1 74 74 GLU N N 74 120.090 120.090 123.628 -3.538 19438 4522 1 6 . 1 1 74 74 GLU HA H 74 5.214 5.214 4.719 0.495 19438 4523 1 6 . 1 1 74 74 GLU C C 74 175.400 175.400 174.661 0.739 19438 4524 1 6 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.209 0.531 19438 4525 1 6 . 1 1 74 74 GLU CB C 74 33.040 33.040 31.165 1.875 19438 4526 1 6 . 1 1 74 74 GLU H H 74 8.311 8.311 8.713 -0.402 19438 4527 1 6 . 1 1 75 75 LYS N N 75 124.230 124.230 126.318 -2.088 19438 4528 1 6 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.493 -0.020 19438 4529 1 6 . 1 1 75 75 LYS C C 75 175.380 175.380 176.041 -0.661 19438 4530 1 6 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.852 2.208 19438 4531 1 6 . 1 1 75 75 LYS CB C 75 35.740 35.740 32.710 3.030 19438 4532 1 6 . 1 1 75 75 LYS H H 75 8.691 8.691 8.897 -0.206 19438 4533 1 6 . 1 1 76 76 GLU N N 76 127.760 127.760 124.723 3.037 19438 4534 1 6 . 1 1 76 76 GLU HA H 76 3.903 3.903 3.963 -0.060 19438 4535 1 6 . 1 1 76 76 GLU C C 76 176.190 176.190 175.864 0.326 19438 4536 1 6 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.408 0.042 19438 4537 1 6 . 1 1 76 76 GLU CB C 76 27.830 27.830 27.241 0.588 19438 4538 1 6 . 1 1 76 76 GLU H H 76 9.556 9.556 9.096 0.460 19438 4539 1 6 . 1 1 77 77 GLY N N 77 106.560 106.560 104.302 2.258 19438 4540 1 6 . 1 1 77 77 GLY C C 77 174.320 174.320 174.116 0.204 19438 4541 1 6 . 1 1 77 77 GLY CA C 77 45.640 45.640 44.774 0.866 19438 4542 1 6 . 1 1 77 77 GLY H H 77 8.928 8.928 8.331 0.597 19438 4543 1 6 . 1 1 78 78 LYS N N 78 121.600 121.600 123.507 -1.907 19438 4544 1 6 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.438 0.147 19438 4545 1 6 . 1 1 78 78 LYS C C 78 175.240 175.240 175.548 -0.308 19438 4546 1 6 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.446 -0.065 19438 4547 1 6 . 1 1 78 78 LYS CB C 78 33.490 33.490 32.627 0.863 19438 4548 1 6 . 1 1 78 78 LYS H H 78 8.015 8.015 8.183 -0.168 19438 4549 1 6 . 1 1 79 79 LYS N N 79 120.990 120.990 124.024 -3.034 19438 4550 1 6 . 1 1 79 79 LYS HA H 79 5.199 5.199 4.900 0.299 19438 4551 1 6 . 1 1 79 79 LYS C C 79 176.150 176.150 175.877 0.273 19438 4552 1 6 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.965 0.105 19438 4553 1 6 . 1 1 79 79 LYS CB C 79 35.080 35.080 35.583 -0.503 19438 4554 1 6 . 1 1 79 79 LYS H H 79 8.438 8.438 8.382 0.056 19438 4555 1 6 . 1 1 80 80 GLY N N 80 107.840 107.840 107.328 0.512 19438 4556 1 6 . 1 1 80 80 GLY C C 80 170.430 170.430 171.091 -0.661 19438 4557 1 6 . 1 1 80 80 GLY CA C 80 45.260 45.260 44.896 0.364 19438 4558 1 6 . 1 1 80 80 GLY H H 80 8.391 8.391 7.867 0.524 19438 4559 1 6 . 1 1 81 81 ILE N N 81 120.670 120.670 119.151 1.519 19438 4560 1 6 . 1 1 81 81 ILE HA H 81 5.282 5.282 4.966 0.316 19438 4561 1 6 . 1 1 81 81 ILE C C 81 175.210 175.210 173.198 2.012 19438 4562 1 6 . 1 1 81 81 ILE CA C 81 58.640 58.640 58.599 0.041 19438 4563 1 6 . 1 1 81 81 ILE CB C 81 42.420 42.420 42.230 0.190 19438 4564 1 6 . 1 1 81 81 ILE H H 81 8.623 8.623 8.794 -0.171 19438 4565 1 6 . 1 1 82 82 VAL N N 82 121.970 121.970 126.111 -4.141 19438 4566 1 6 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.831 -0.117 19438 4567 1 6 . 1 1 82 82 VAL C C 82 174.230 174.230 174.279 -0.049 19438 4568 1 6 . 1 1 82 82 VAL CA C 82 61.010 61.010 60.469 0.541 19438 4569 1 6 . 1 1 82 82 VAL CB C 82 35.260 35.260 34.850 0.410 19438 4570 1 6 . 1 1 82 82 VAL H H 82 8.967 8.967 8.936 0.031 19438 4571 1 6 . 1 1 83 83 HIS N N 83 129.690 129.690 126.653 3.037 19438 4572 1 6 . 1 1 83 83 HIS HA H 83 5.219 5.219 5.218 0.001 19438 4573 1 6 . 1 1 83 83 HIS C C 83 174.960 174.960 174.059 0.901 19438 4574 1 6 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.376 1.064 19438 4575 1 6 . 1 1 83 83 HIS CB C 83 32.240 32.240 31.487 0.753 19438 4576 1 6 . 1 1 83 83 HIS H H 83 8.960 8.960 9.330 -0.370 19438 4577 1 6 . 1 1 84 84 VAL N N 84 125.620 125.620 127.413 -1.793 19438 4578 1 6 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.501 0.625 19438 4579 1 6 . 1 1 84 84 VAL C C 84 174.590 174.590 174.448 0.142 19438 4580 1 6 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.810 0.419 19438 4581 1 6 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.212 1.808 19438 4582 1 6 . 1 1 84 84 VAL H H 84 9.834 9.834 9.347 0.487 19438 4583 1 6 . 1 1 85 85 LYS N N 85 125.370 125.370 127.158 -1.788 19438 4584 1 6 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.136 0.328 19438 4585 1 6 . 1 1 85 85 LYS C C 85 174.890 174.890 175.000 -0.110 19438 4586 1 6 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.977 0.233 19438 4587 1 6 . 1 1 85 85 LYS CB C 85 36.430 36.430 34.794 1.636 19438 4588 1 6 . 1 1 85 85 LYS H H 85 9.517 9.517 9.152 0.365 19438 4589 1 6 . 1 1 86 86 LEU N N 86 123.830 123.830 126.428 -2.598 19438 4590 1 6 . 1 1 86 86 LEU HA H 86 5.147 5.147 5.181 -0.034 19438 4591 1 6 . 1 1 86 86 LEU C C 86 174.760 174.760 176.055 -1.295 19438 4592 1 6 . 1 1 86 86 LEU CA C 86 54.210 54.210 53.709 0.501 19438 4593 1 6 . 1 1 86 86 LEU CB C 86 44.830 44.830 43.342 1.488 19438 4594 1 6 . 1 1 86 86 LEU H H 86 8.400 8.400 9.038 -0.638 19438 4595 1 6 . 1 1 87 87 ARG N N 87 128.610 128.610 123.016 5.594 19438 4596 1 6 . 1 1 87 87 ARG HA H 87 5.473 5.473 5.064 0.409 19438 4597 1 6 . 1 1 87 87 ARG C C 87 176.130 176.130 175.329 0.801 19438 4598 1 6 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.398 0.572 19438 4599 1 6 . 1 1 87 87 ARG CB C 87 34.230 34.230 33.362 0.868 19438 4600 1 6 . 1 1 87 87 ARG H H 87 9.647 9.647 9.456 0.191 19438 4601 1 6 . 1 1 88 88 LYS N N 88 122.810 122.810 123.513 -0.703 19438 4602 1 6 . 1 1 88 88 LYS HA H 88 4.138 4.138 4.371 -0.233 19438 4603 1 6 . 1 1 88 88 LYS C C 88 174.890 174.890 175.573 -0.683 19438 4604 1 6 . 1 1 88 88 LYS CA C 88 56.330 56.330 54.757 1.573 19438 4605 1 6 . 1 1 88 88 LYS CB C 88 34.310 34.310 32.378 1.932 19438 4606 1 6 . 1 1 88 88 LYS H H 88 8.510 8.510 8.439 0.071 19438 4607 1 6 . 1 1 89 89 ILE N N 89 120.880 120.880 129.969 -9.089 19438 4608 1 6 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.441 0.190 19438 4609 1 6 . 1 1 89 89 ILE C C 89 176.400 176.400 175.154 1.246 19438 4610 1 6 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.538 -0.868 19438 4611 1 6 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.648 -0.928 19438 4612 1 6 . 1 1 89 89 ILE H H 89 7.470 7.470 8.335 -0.865 19438 4613 1 6 . 1 1 90 90 THR N N 90 116.610 116.610 121.560 -4.950 19438 4614 1 6 . 1 1 90 90 THR HA H 90 4.700 4.700 4.611 0.089 19438 4615 1 6 . 1 1 90 90 THR CA C 90 59.100 59.100 60.082 -0.982 19438 4616 1 6 . 1 1 90 90 THR CB C 90 72.600 72.600 71.185 1.415 19438 4617 1 6 . 1 1 90 90 THR H H 90 7.701 7.701 8.440 -0.739 19438 4618 1 6 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.126 -0.096 19438 4619 1 6 . 1 1 91 91 GLU C C 91 177.100 177.100 176.947 0.153 19438 4620 1 6 . 1 1 91 91 GLU CA C 91 59.640 59.640 58.659 0.981 19438 4621 1 6 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.831 -0.781 19438 4622 1 6 . 1 1 92 92 ASN N N 92 113.650 113.650 115.147 -1.497 19438 4623 1 6 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.745 -0.045 19438 4624 1 6 . 1 1 92 92 ASN C C 92 174.100 174.100 174.533 -0.433 19438 4625 1 6 . 1 1 92 92 ASN CA C 92 53.490 53.490 53.764 -0.274 19438 4626 1 6 . 1 1 92 92 ASN CB C 92 39.270 39.270 39.059 0.211 19438 4627 1 6 . 1 1 92 92 ASN H H 92 7.915 7.915 8.122 -0.207 19438 4628 1 6 . 1 1 93 93 CYS N N 93 120.190 120.190 120.445 -0.255 19438 4629 1 6 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.982 0.094 19438 4630 1 6 . 1 1 93 93 CYS CA C 93 52.610 52.610 56.691 -4.080 19438 4631 1 6 . 1 1 93 93 CYS CB C 93 42.090 42.090 29.124 12.966 19438 4632 1 6 . 1 1 93 93 CYS H H 93 7.514 7.514 7.794 -0.280 19438 4633 1 6 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.887 -0.097 19438 4634 1 6 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.576 -0.076 19438 4635 1 6 . 1 1 95 95 PRO C C 95 177.770 177.770 175.718 2.052 19438 4636 1 6 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.250 0.490 19438 4637 1 6 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.500 -0.400 19438 4638 1 6 . 1 1 96 96 VAL N N 96 123.600 123.600 120.771 2.829 19438 4639 1 6 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.286 -0.339 19438 4640 1 6 . 1 1 96 96 VAL C C 96 175.780 175.780 175.439 0.341 19438 4641 1 6 . 1 1 96 96 VAL CA C 96 62.100 62.100 60.513 1.587 19438 4642 1 6 . 1 1 96 96 VAL CB C 96 32.580 32.580 33.749 -1.169 19438 4643 1 6 . 1 1 96 96 VAL H H 96 9.071 9.071 8.052 1.019 19438 4644 1 6 . 1 1 97 97 ASP N N 97 125.400 125.400 120.901 4.499 19438 4645 1 6 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.771 -0.101 19438 4646 1 6 . 1 1 97 97 ASP C C 97 175.410 175.410 175.007 0.403 19438 4647 1 6 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.144 0.866 19438 4648 1 6 . 1 1 97 97 ASP CB C 97 41.580 41.580 42.236 -0.655 19438 4649 1 6 . 1 1 97 97 ASP H H 97 8.313 8.313 8.448 -0.135 19438 4650 1 6 . 1 1 98 98 GLY N N 98 108.310 108.310 107.541 0.769 19438 4651 1 6 . 1 1 98 98 GLY C C 98 173.140 173.140 173.630 -0.490 19438 4652 1 6 . 1 1 98 98 GLY CA C 98 45.270 45.270 44.503 0.767 19438 4653 1 6 . 1 1 98 98 GLY H H 98 7.838 7.838 8.111 -0.273 19438 4654 1 6 . 1 1 99 99 ASN N N 99 120.050 120.050 120.045 0.005 19438 4655 1 6 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.560 0.622 19438 4656 1 6 . 1 1 99 99 ASN C C 99 174.700 174.700 174.908 -0.208 19438 4657 1 6 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.880 -0.760 19438 4658 1 6 . 1 1 99 99 ASN CB C 99 39.360 39.360 39.022 0.338 19438 4659 1 6 . 1 1 99 99 ASN H H 99 8.685 8.685 8.320 0.365 19438 4660 1 6 . 1 1 100 100 ARG N N 100 121.100 121.100 122.739 -1.639 19438 4661 1 6 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.881 0.028 19438 4662 1 6 . 1 1 100 100 ARG C C 100 176.930 176.930 176.215 0.715 19438 4663 1 6 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.737 0.073 19438 4664 1 6 . 1 1 100 100 ARG CB C 100 31.710 31.710 31.495 0.215 19438 4665 1 6 . 1 1 100 100 ARG H H 100 8.502 8.502 8.243 0.259 19438 4666 1 6 . 1 1 101 101 CYS N N 101 121.180 121.180 125.221 -4.041 19438 4667 1 6 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.451 0.255 19438 4668 1 6 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.270 -3.000 19438 4669 1 6 . 1 1 101 101 CYS H H 101 8.607 8.607 8.672 -0.065 19438 4670 1 6 . 1 1 102 102 SER HA H 102 4.565 4.565 4.497 0.068 19438 4671 1 6 . 1 1 102 102 SER C C 102 174.220 174.220 174.104 0.116 19438 4672 1 6 . 1 1 102 102 SER CA C 102 57.900 57.900 57.984 -0.084 19438 4673 1 6 . 1 1 102 102 SER CB C 102 63.700 63.700 61.875 1.825 19438 4674 1 6 . 1 1 103 103 VAL N N 103 122.910 122.910 124.797 -1.887 19438 4675 1 6 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.426 -0.204 19438 4676 1 6 . 1 1 103 103 VAL C C 103 175.070 175.070 175.513 -0.443 19438 4677 1 6 . 1 1 103 103 VAL CA C 103 62.440 62.440 62.985 -0.545 19438 4678 1 6 . 1 1 103 103 VAL H H 103 8.332 8.332 8.091 0.241 19438 4679 1 6 . 1 1 104 104 LEU N N 104 125.940 125.940 128.109 -2.169 19438 4680 1 6 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.702 -0.289 19438 4681 1 6 . 1 1 104 104 LEU C C 104 177.220 177.220 175.373 1.847 19438 4682 1 6 . 1 1 104 104 LEU CA C 104 55.930 55.930 54.380 1.550 19438 4683 1 6 . 1 1 104 104 LEU CB C 104 42.890 42.890 43.770 -0.880 19438 4684 1 6 . 1 1 104 104 LEU H H 104 8.831 8.831 9.551 -0.720 19438 4685 1 6 . 1 1 105 105 GLU N N 105 120.540 120.540 118.036 2.504 19438 4686 1 6 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.638 -0.227 19438 4687 1 6 . 1 1 105 105 GLU C C 105 175.400 175.400 178.013 -2.613 19438 4688 1 6 . 1 1 105 105 GLU CA C 105 55.890 55.890 55.256 0.634 19438 4689 1 6 . 1 1 105 105 GLU CB C 105 30.460 30.460 30.361 0.099 19438 4690 1 6 . 1 1 105 105 GLU H H 105 8.070 8.070 8.129 -0.059 19438 4691 1 6 . 1 1 106 106 PHE N N 106 124.060 124.060 123.628 0.432 19438 4692 1 6 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.102 -0.041 19438 4693 1 6 . 1 1 106 106 PHE C C 106 175.880 175.880 176.918 -1.038 19438 4694 1 6 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.929 0.190 19438 4695 1 6 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.451 0.219 19438 4696 1 6 . 1 1 106 106 PHE H H 106 8.666 8.666 8.855 -0.189 19438 4697 1 6 . 1 1 107 107 GLU N N 107 117.290 117.290 118.707 -1.417 19438 4698 1 6 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.894 -0.008 19438 4699 1 6 . 1 1 107 107 GLU C C 107 178.050 178.050 179.286 -1.236 19438 4700 1 6 . 1 1 107 107 GLU CA C 107 59.360 59.360 60.037 -0.677 19438 4701 1 6 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.281 0.049 19438 4702 1 6 . 1 1 107 107 GLU H H 107 8.932 8.932 8.786 0.146 19438 4703 1 6 . 1 1 108 108 ARG N N 108 117.240 117.240 116.990 0.250 19438 4704 1 6 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.294 0.014 19438 4705 1 6 . 1 1 108 108 ARG C C 108 177.930 177.930 178.262 -0.332 19438 4706 1 6 . 1 1 108 108 ARG CA C 108 57.120 57.120 56.871 0.249 19438 4707 1 6 . 1 1 108 108 ARG CB C 108 31.110 31.110 30.114 0.996 19438 4708 1 6 . 1 1 108 108 ARG H H 108 7.533 7.533 8.084 -0.551 19438 4709 1 6 . 1 1 109 109 ASP N N 109 120.040 120.040 122.348 -2.308 19438 4710 1 6 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.380 0.220 19438 4711 1 6 . 1 1 109 109 ASP C C 109 177.980 177.980 178.617 -0.637 19438 4712 1 6 . 1 1 109 109 ASP CA C 109 56.810 56.810 57.380 -0.570 19438 4713 1 6 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.364 1.135 19438 4714 1 6 . 1 1 109 109 ASP H H 109 8.295 8.295 7.984 0.311 19438 4715 1 6 . 1 1 110 110 ILE N N 110 118.710 118.710 119.461 -0.751 19438 4716 1 6 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.569 0.225 19438 4717 1 6 . 1 1 110 110 ILE C C 110 176.740 176.740 176.708 0.032 19438 4718 1 6 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.619 -1.769 19438 4719 1 6 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.691 -0.661 19438 4720 1 6 . 1 1 110 110 ILE H H 110 8.081 8.081 8.086 -0.005 19438 4721 1 6 . 1 1 111 111 GLU N N 111 121.140 121.140 119.928 1.212 19438 4722 1 6 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.887 0.075 19438 4723 1 6 . 1 1 111 111 GLU C C 111 177.400 177.400 178.427 -1.027 19438 4724 1 6 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.652 -0.052 19438 4725 1 6 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.579 -0.279 19438 4726 1 6 . 1 1 111 111 GLU H H 111 7.558 7.558 7.839 -0.281 19438 4727 1 6 . 1 1 112 112 CYS N N 112 117.380 117.380 119.475 -2.095 19438 4728 1 6 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.216 -0.113 19438 4729 1 6 . 1 1 112 112 CYS C C 112 176.570 176.570 177.197 -0.627 19438 4730 1 6 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.845 -3.555 19438 4731 1 6 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.199 15.711 19438 4732 1 6 . 1 1 112 112 CYS H H 112 7.739 7.739 8.436 -0.697 19438 4733 1 6 . 1 1 113 113 ILE N N 113 118.520 118.520 120.967 -2.447 19438 4734 1 6 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.801 0.032 19438 4735 1 6 . 1 1 113 113 ILE C C 113 177.220 177.220 178.608 -1.388 19438 4736 1 6 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.418 -0.008 19438 4737 1 6 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.632 0.798 19438 4738 1 6 . 1 1 113 113 ILE H H 113 7.682 7.682 8.137 -0.455 19438 4739 1 6 . 1 1 114 114 VAL N N 114 120.390 120.390 120.644 -0.254 19438 4740 1 6 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.433 0.035 19438 4741 1 6 . 1 1 114 114 VAL C C 114 177.970 177.970 177.849 0.121 19438 4742 1 6 . 1 1 114 114 VAL CA C 114 67.960 67.960 67.341 0.619 19438 4743 1 6 . 1 1 114 114 VAL CB C 114 31.730 31.730 31.457 0.273 19438 4744 1 6 . 1 1 114 114 VAL H H 114 7.765 7.765 8.375 -0.610 19438 4745 1 6 . 1 1 115 115 LYS N N 115 118.840 118.840 120.266 -1.426 19438 4746 1 6 . 1 1 115 115 LYS HA H 115 4.129 4.129 4.004 0.125 19438 4747 1 6 . 1 1 115 115 LYS C C 115 178.870 178.870 178.590 0.280 19438 4748 1 6 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.439 -0.139 19438 4749 1 6 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.120 -0.210 19438 4750 1 6 . 1 1 115 115 LYS H H 115 8.314 8.314 8.352 -0.038 19438 4751 1 6 . 1 1 116 116 ALA N N 116 121.000 121.000 121.696 -0.696 19438 4752 1 6 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.377 -0.151 19438 4753 1 6 . 1 1 116 116 ALA C C 116 181.600 181.600 180.252 1.348 19438 4754 1 6 . 1 1 116 116 ALA CA C 116 55.320 55.320 54.791 0.529 19438 4755 1 6 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.387 0.263 19438 4756 1 6 . 1 1 116 116 ALA H H 116 7.427 7.427 7.779 -0.352 19438 4757 1 6 . 1 1 117 117 ILE N N 117 120.090 120.090 118.602 1.488 19438 4758 1 6 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.563 -0.250 19438 4759 1 6 . 1 1 117 117 ILE C C 117 177.630 177.630 177.760 -0.130 19438 4760 1 6 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.577 0.933 19438 4761 1 6 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.722 0.138 19438 4762 1 6 . 1 1 117 117 ILE H H 117 8.121 8.121 7.893 0.228 19438 4763 1 6 . 1 1 118 118 GLU N N 118 119.300 119.300 120.053 -0.753 19438 4764 1 6 . 1 1 118 118 GLU HA H 118 3.886 3.886 4.072 -0.186 19438 4765 1 6 . 1 1 118 118 GLU C C 118 179.850 179.850 179.060 0.790 19438 4766 1 6 . 1 1 118 118 GLU CA C 118 60.760 60.760 59.856 0.904 19438 4767 1 6 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.440 0.210 19438 4768 1 6 . 1 1 118 118 GLU H H 118 8.657 8.657 8.602 0.055 19438 4769 1 6 . 1 1 119 119 GLU N N 119 119.080 119.080 118.326 0.754 19438 4770 1 6 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.132 -0.064 19438 4771 1 6 . 1 1 119 119 GLU C C 119 178.670 178.670 178.801 -0.131 19438 4772 1 6 . 1 1 119 119 GLU CA C 119 59.390 59.390 59.184 0.207 19438 4773 1 6 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.121 0.599 19438 4774 1 6 . 1 1 119 119 GLU H H 119 8.596 8.596 8.478 0.118 19438 4775 1 6 . 1 1 120 120 CYS N N 120 117.950 117.950 120.194 -2.244 19438 4776 1 6 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.497 -0.055 19438 4777 1 6 . 1 1 120 120 CYS C C 120 177.280 177.280 177.256 0.024 19438 4778 1 6 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.430 -3.950 19438 4779 1 6 . 1 1 120 120 CYS CB C 120 39.420 39.420 25.872 13.547 19438 4780 1 6 . 1 1 120 120 CYS H H 120 7.686 7.686 7.731 -0.045 19438 4781 1 6 . 1 1 121 121 LEU N N 121 118.000 118.000 120.868 -2.868 19438 4782 1 6 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.263 -0.242 19438 4783 1 6 . 1 1 121 121 LEU C C 121 179.010 179.010 179.802 -0.792 19438 4784 1 6 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.545 0.125 19438 4785 1 6 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.543 -0.163 19438 4786 1 6 . 1 1 121 121 LEU H H 121 8.194 8.194 8.227 -0.033 19438 4787 1 6 . 1 1 122 122 ALA N N 122 119.940 119.940 122.169 -2.229 19438 4788 1 6 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.076 0.150 19438 4789 1 6 . 1 1 122 122 ALA C C 122 179.040 179.040 178.720 0.320 19438 4790 1 6 . 1 1 122 122 ALA CA C 122 54.160 54.160 54.531 -0.371 19438 4791 1 6 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.557 0.323 19438 4792 1 6 . 1 1 122 122 ALA H H 122 7.974 7.974 8.344 -0.370 19438 4793 1 6 . 1 1 123 123 LYS N N 123 117.940 117.940 117.266 0.674 19438 4794 1 6 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.255 -0.064 19438 4795 1 6 . 1 1 123 123 LYS C C 123 177.770 177.770 176.207 1.563 19438 4796 1 6 . 1 1 123 123 LYS CA C 123 57.710 57.710 54.677 3.033 19438 4797 1 6 . 1 1 123 123 LYS CB C 123 32.570 32.570 31.772 0.798 19438 4798 1 6 . 1 1 123 123 LYS H H 123 7.774 7.774 8.045 -0.271 19438 4799 1 6 . 1 1 124 124 GLY N N 124 107.510 107.510 107.422 0.088 19438 4800 1 6 . 1 1 124 124 GLY C C 124 174.290 174.290 174.158 0.132 19438 4801 1 6 . 1 1 124 124 GLY CA C 124 46.060 46.060 45.304 0.756 19438 4802 1 6 . 1 1 124 124 GLY H H 124 8.084 8.084 7.230 0.854 19438 4803 1 6 . 1 1 125 125 GLU N N 125 120.170 120.170 119.709 0.461 19438 4804 1 6 . 1 1 125 125 GLU HA H 125 4.318 4.318 3.595 0.723 19438 4805 1 6 . 1 1 125 125 GLU C C 125 176.940 176.940 175.126 1.814 19438 4806 1 6 . 1 1 125 125 GLU CA C 125 56.780 56.780 57.101 -0.321 19438 4807 1 6 . 1 1 125 125 GLU CB C 125 30.760 30.760 27.687 3.073 19438 4808 1 6 . 1 1 125 125 GLU H H 125 7.997 7.997 8.398 -0.401 19438 4809 1 6 . 1 1 126 126 LEU N N 126 122.210 122.210 118.915 3.295 19438 4810 1 6 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.589 -0.279 19438 4811 1 6 . 1 1 126 126 LEU C C 126 177.320 177.320 175.601 1.719 19438 4812 1 6 . 1 1 126 126 LEU CA C 126 55.940 55.940 52.799 3.141 19438 4813 1 6 . 1 1 126 126 LEU CB C 126 42.540 42.540 46.731 -4.191 19438 4814 1 6 . 1 1 126 126 LEU H H 126 8.218 8.218 7.571 0.647 19438 4815 1 6 . 1 1 127 127 ASN N N 127 119.250 119.250 123.540 -4.290 19438 4816 1 6 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.577 0.117 19438 4817 1 6 . 1 1 127 127 ASN C C 127 175.720 175.720 174.436 1.284 19438 4818 1 6 . 1 1 127 127 ASN CA C 127 53.930 53.930 54.084 -0.154 19438 4819 1 6 . 1 1 127 127 ASN CB C 127 38.970 38.970 38.254 0.716 19438 4820 1 6 . 1 1 127 127 ASN H H 127 8.445 8.445 8.696 -0.251 19438 4821 1 6 . 1 1 128 128 SER N N 128 116.060 116.060 124.707 -8.647 19438 4822 1 6 . 1 1 128 128 SER HA H 128 4.373 4.373 4.606 -0.233 19438 4823 1 6 . 1 1 128 128 SER C C 128 174.830 174.830 172.395 2.435 19438 4824 1 6 . 1 1 128 128 SER CA C 128 59.120 59.120 57.867 1.253 19438 4825 1 6 . 1 1 128 128 SER CB C 128 63.830 63.830 65.073 -1.243 19438 4826 1 6 . 1 1 128 128 SER H H 128 8.182 8.182 8.304 -0.122 19438 4827 1 6 . 1 1 129 129 LYS N N 129 122.520 122.520 121.869 0.651 19438 4828 1 6 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.034 0.324 19438 4829 1 6 . 1 1 129 129 LYS C C 129 176.750 176.750 175.673 1.077 19438 4830 1 6 . 1 1 129 129 LYS CA C 129 56.710 56.710 56.821 -0.111 19438 4831 1 6 . 1 1 129 129 LYS CB C 129 32.760 32.760 31.853 0.907 19438 4832 1 6 . 1 1 129 129 LYS H H 129 8.154 8.154 8.713 -0.559 19438 4833 1 6 . 1 1 130 130 LEU N N 130 122.340 122.340 118.872 3.468 19438 4834 1 6 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.681 -0.353 19438 4835 1 6 . 1 1 130 130 LEU C C 130 177.430 177.430 176.504 0.926 19438 4836 1 6 . 1 1 130 130 LEU CA C 130 57.430 57.430 54.783 2.647 19438 4837 1 6 . 1 1 130 130 LEU CB C 130 42.380 42.380 40.378 2.002 19438 4838 1 6 . 1 1 130 130 LEU H H 130 8.070 8.070 8.545 -0.475 19438 4839 1 6 . 1 1 131 131 GLU N N 131 121.450 121.450 122.311 -0.861 19438 4840 1 6 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.803 -0.508 19438 4841 1 6 . 1 1 131 131 GLU C C 131 176.920 176.920 175.453 1.467 19438 4842 1 6 . 1 1 131 131 GLU CA C 131 56.690 56.690 54.857 1.833 19438 4843 1 6 . 1 1 131 131 GLU CB C 131 30.380 30.380 33.870 -3.490 19438 4844 1 6 . 1 1 131 131 GLU H H 131 8.250 8.250 8.522 -0.272 19438 4845 1 6 . 1 1 132 132 GLY N N 132 109.900 109.900 109.331 0.569 19438 4846 1 6 . 1 1 132 132 GLY C C 132 173.770 173.770 173.322 0.448 19438 4847 1 6 . 1 1 132 132 GLY CA C 132 45.290 45.290 44.538 0.752 19438 4848 1 6 . 1 1 132 132 GLY H H 132 8.334 8.334 8.561 -0.227 19438 4849 1 6 . 1 1 133 133 LYS N N 133 121.920 121.920 122.470 -0.550 19438 4850 1 6 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.973 -0.309 19438 4851 1 6 . 1 1 133 133 LYS CA C 133 54.150 54.150 52.881 1.269 19438 4852 1 6 . 1 1 133 133 LYS CB C 133 32.710 32.710 33.438 -0.728 19438 4853 1 6 . 1 1 133 133 LYS H H 133 8.037 8.037 8.527 -0.490 19438 4854 1 6 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.756 -0.305 19438 4855 1 6 . 1 1 134 134 PRO C C 134 176.670 176.670 175.765 0.905 19438 4856 1 6 . 1 1 134 134 PRO CA C 134 62.940 62.940 62.829 0.111 19438 4857 1 6 . 1 1 134 134 PRO CB C 134 31.890 31.890 30.777 1.113 19438 4858 1 6 . 1 1 135 135 ILE N N 135 122.710 122.710 123.877 -1.167 19438 4859 1 6 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.495 -0.067 19438 4860 1 6 . 1 1 135 135 ILE CA C 135 58.770 58.770 58.488 0.282 19438 4861 1 6 . 1 1 135 135 ILE CB C 135 38.640 38.640 40.293 -1.653 19438 4862 1 6 . 1 1 135 135 ILE H H 135 8.227 8.227 7.725 0.502 19438 4863 1 6 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.552 -0.180 19438 4864 1 6 . 1 1 136 136 PRO C C 136 176.330 176.330 175.723 0.607 19438 4865 1 6 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.532 0.718 19438 4866 1 6 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.405 -0.395 19438 4867 1 6 . 1 1 137 137 ASN HA H 137 4.941 4.941 5.058 -0.117 19438 4868 1 6 . 1 1 137 137 ASN CA C 137 51.270 51.270 51.130 0.140 19438 4869 1 6 . 1 1 137 137 ASN CB C 137 38.670 38.670 39.824 -1.154 19438 4870 1 6 . 1 1 137 137 ASN H H 137 8.383 8.383 8.541 -0.158 19438 4871 1 6 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.432 -0.028 19438 4872 1 6 . 1 1 138 138 PRO C C 138 177.210 177.210 175.729 1.481 19438 4873 1 6 . 1 1 138 138 PRO CA C 138 63.310 63.310 63.574 -0.264 19438 4874 1 6 . 1 1 138 138 PRO CB C 138 32.100 32.100 32.467 -0.367 19438 4875 1 6 . 1 1 139 139 LEU N N 139 119.860 119.860 122.715 -2.855 19438 4876 1 6 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.598 -0.297 19438 4877 1 6 . 1 1 139 139 LEU C C 139 177.640 177.640 174.442 3.198 19438 4878 1 6 . 1 1 139 139 LEU CA C 139 55.610 55.610 54.094 1.516 19438 4879 1 6 . 1 1 139 139 LEU CB C 139 41.540 41.540 42.071 -0.531 19438 4880 1 6 . 1 1 139 139 LEU H H 139 8.096 8.096 7.737 0.358 19438 4881 1 6 . 1 1 140 140 LEU N N 140 121.040 121.040 123.029 -1.989 19438 4882 1 6 . 1 1 140 140 LEU HA H 140 4.315 4.315 5.169 -0.854 19438 4883 1 6 . 1 1 140 140 LEU C C 140 177.840 177.840 176.408 1.432 19438 4884 1 6 . 1 1 140 140 LEU CA C 140 55.370 55.370 52.776 2.594 19438 4885 1 6 . 1 1 140 140 LEU CB C 140 42.390 42.390 43.017 -0.627 19438 4886 1 6 . 1 1 140 140 LEU H H 140 7.749 7.749 8.011 -0.262 19438 4887 1 6 . 1 1 141 141 GLY N N 141 108.960 108.960 111.277 -2.317 19438 4888 1 6 . 1 1 141 141 GLY C C 141 174.380 174.380 171.709 2.671 19438 4889 1 6 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.162 0.488 19438 4890 1 6 . 1 1 141 141 GLY H H 141 8.231 8.231 8.259 -0.028 19438 4891 1 6 . 1 1 142 142 LEU N N 142 121.470 121.470 120.788 0.682 19438 4892 1 6 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.818 -0.482 19438 4893 1 6 . 1 1 142 142 LEU C C 142 177.390 177.390 176.107 1.283 19438 4894 1 6 . 1 1 142 142 LEU CA C 142 55.630 55.630 54.401 1.229 19438 4895 1 6 . 1 1 142 142 LEU CB C 142 42.600 42.600 45.211 -2.611 19438 4896 1 6 . 1 1 142 142 LEU H H 142 8.004 8.004 8.392 -0.388 19438 4897 1 6 . 1 1 143 143 ASP N N 143 120.770 120.770 124.141 -3.371 19438 4898 1 6 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.736 -0.063 19438 4899 1 6 . 1 1 143 143 ASP C C 143 176.870 176.870 174.656 2.214 19438 4900 1 6 . 1 1 143 143 ASP CA C 143 54.400 54.400 54.056 0.344 19438 4901 1 6 . 1 1 143 143 ASP CB C 143 41.170 41.170 41.485 -0.315 19438 4902 1 6 . 1 1 143 143 ASP H H 143 8.380 8.380 8.642 -0.262 19438 4903 1 6 . 1 1 144 144 SER N N 144 116.820 116.820 117.080 -0.260 19438 4904 1 6 . 1 1 144 144 SER HA H 144 4.413 4.413 4.685 -0.272 19438 4905 1 6 . 1 1 144 144 SER C C 144 175.300 175.300 174.143 1.157 19438 4906 1 6 . 1 1 144 144 SER CA C 144 59.190 59.190 57.867 1.323 19438 4907 1 6 . 1 1 144 144 SER CB C 144 63.770 63.770 65.350 -1.581 19438 4908 1 6 . 1 1 144 144 SER H H 144 8.298 8.298 8.179 0.119 19438 4909 1 6 . 1 1 145 145 THR N N 145 114.870 114.870 122.454 -7.584 19438 4910 1 6 . 1 1 145 145 THR HA H 145 4.419 4.419 4.363 0.056 19438 4911 1 6 . 1 1 145 145 THR C C 145 175.070 175.070 174.419 0.651 19438 4912 1 6 . 1 1 145 145 THR CA C 145 62.880 62.880 61.962 0.918 19438 4913 1 6 . 1 1 145 145 THR CB C 145 69.710 69.710 67.420 2.290 19438 4914 1 6 . 1 1 145 145 THR H H 145 8.208 8.208 8.724 -0.516 19438 4915 1 6 . 1 1 146 146 ARG N N 146 122.450 122.450 122.365 0.085 19438 4916 1 6 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.022 0.360 19438 4917 1 6 . 1 1 146 146 ARG C C 146 176.570 176.570 174.909 1.661 19438 4918 1 6 . 1 1 146 146 ARG CA C 146 56.350 56.350 57.341 -0.991 19438 4919 1 6 . 1 1 146 146 ARG CB C 146 30.620 30.620 30.159 0.461 19438 4920 1 6 . 1 1 146 146 ARG H H 146 8.122 8.122 8.028 0.094 19438 4921 1 6 . 1 1 147 147 THR N N 147 113.830 113.830 116.698 -2.868 19438 4922 1 6 . 1 1 147 147 THR HA H 147 4.400 4.400 4.266 0.134 19438 4923 1 6 . 1 1 147 147 THR C C 147 175.200 175.200 175.090 0.110 19438 4924 1 6 . 1 1 147 147 THR CA C 147 62.110 62.110 63.193 -1.083 19438 4925 1 6 . 1 1 147 147 THR CB C 147 69.950 69.950 69.055 0.895 19438 4926 1 6 . 1 1 147 147 THR H H 147 8.039 8.039 8.326 -0.287 19438 4927 1 7 . 1 1 2 2 LYS N N 2 124.740 124.740 120.192 4.548 19438 4928 1 7 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.861 -0.051 19438 4929 1 7 . 1 1 2 2 LYS C C 2 173.640 173.640 175.300 -1.660 19438 4930 1 7 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.066 -1.107 19438 4931 1 7 . 1 1 2 2 LYS CB C 2 34.850 34.850 33.965 0.885 19438 4932 1 7 . 1 1 2 2 LYS H H 2 8.620 8.620 8.488 0.132 19438 4933 1 7 . 1 1 3 3 TYR N N 3 114.840 114.840 122.927 -8.087 19438 4934 1 7 . 1 1 3 3 TYR HA H 3 5.252 5.252 5.169 0.083 19438 4935 1 7 . 1 1 3 3 TYR C C 3 174.920 174.920 174.546 0.374 19438 4936 1 7 . 1 1 3 3 TYR CA C 3 57.360 57.360 56.925 0.435 19438 4937 1 7 . 1 1 3 3 TYR CB C 3 43.170 43.170 42.353 0.817 19438 4938 1 7 . 1 1 3 3 TYR H H 3 8.927 8.927 9.500 -0.573 19438 4939 1 7 . 1 1 4 4 ASP N N 4 119.790 119.790 121.487 -1.697 19438 4940 1 7 . 1 1 4 4 ASP HA H 4 5.479 5.479 4.988 0.491 19438 4941 1 7 . 1 1 4 4 ASP C C 4 175.780 175.780 175.118 0.662 19438 4942 1 7 . 1 1 4 4 ASP CA C 4 52.900 52.900 53.002 -0.102 19438 4943 1 7 . 1 1 4 4 ASP CB C 4 43.970 43.970 43.204 0.766 19438 4944 1 7 . 1 1 4 4 ASP H H 4 9.170 9.170 9.229 -0.059 19438 4945 1 7 . 1 1 5 5 VAL N N 5 122.030 122.030 127.291 -5.261 19438 4946 1 7 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.546 0.176 19438 4947 1 7 . 1 1 5 5 VAL C C 5 174.520 174.520 174.631 -0.111 19438 4948 1 7 . 1 1 5 5 VAL CA C 5 62.100 62.100 61.579 0.521 19438 4949 1 7 . 1 1 5 5 VAL CB C 5 31.720 31.720 31.996 -0.276 19438 4950 1 7 . 1 1 5 5 VAL H H 5 8.733 8.733 9.123 -0.390 19438 4951 1 7 . 1 1 6 6 VAL N N 6 128.380 128.380 129.433 -1.053 19438 4952 1 7 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.695 -0.049 19438 4953 1 7 . 1 1 6 6 VAL C C 6 174.330 174.330 174.420 -0.090 19438 4954 1 7 . 1 1 6 6 VAL CA C 6 61.750 61.750 60.981 0.769 19438 4955 1 7 . 1 1 6 6 VAL CB C 6 34.060 34.060 32.008 2.052 19438 4956 1 7 . 1 1 6 6 VAL H H 6 9.338 9.338 9.095 0.243 19438 4957 1 7 . 1 1 7 7 ILE N N 7 127.540 127.540 129.638 -2.098 19438 4958 1 7 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.004 0.156 19438 4959 1 7 . 1 1 7 7 ILE C C 7 175.260 175.260 173.908 1.352 19438 4960 1 7 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.788 1.422 19438 4961 1 7 . 1 1 7 7 ILE CB C 7 40.100 40.100 39.940 0.160 19438 4962 1 7 . 1 1 7 7 ILE H H 7 9.295 9.295 9.145 0.150 19438 4963 1 7 . 1 1 8 8 ILE N N 8 126.500 126.500 130.079 -3.579 19438 4964 1 7 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.623 0.139 19438 4965 1 7 . 1 1 8 8 ILE CA C 8 58.790 58.790 58.306 0.484 19438 4966 1 7 . 1 1 8 8 ILE CB C 8 41.100 41.100 38.951 2.149 19438 4967 1 7 . 1 1 8 8 ILE H H 8 9.573 9.573 9.190 0.383 19438 4968 1 7 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.573 -0.248 19438 4969 1 7 . 1 1 9 9 PRO C C 9 174.390 174.390 175.916 -1.526 19438 4970 1 7 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.317 -0.247 19438 4971 1 7 . 1 1 9 9 PRO CB C 9 31.600 31.600 32.565 -0.965 19438 4972 1 7 . 1 1 10 10 GLU N N 10 120.480 120.480 119.467 1.013 19438 4973 1 7 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.684 0.089 19438 4974 1 7 . 1 1 10 10 GLU C C 10 174.950 174.950 174.820 0.130 19438 4975 1 7 . 1 1 10 10 GLU CA C 10 55.600 55.600 55.294 0.306 19438 4976 1 7 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.325 0.655 19438 4977 1 7 . 1 1 10 10 GLU H H 10 9.218 9.218 9.240 -0.022 19438 4978 1 7 . 1 1 11 11 SER N N 11 117.470 117.470 116.565 0.905 19438 4979 1 7 . 1 1 11 11 SER HA H 11 4.686 4.686 4.522 0.164 19438 4980 1 7 . 1 1 11 11 SER C C 11 174.460 174.460 174.573 -0.113 19438 4981 1 7 . 1 1 11 11 SER CA C 11 57.490 57.490 57.421 0.069 19438 4982 1 7 . 1 1 11 11 SER CB C 11 64.820 64.820 63.857 0.963 19438 4983 1 7 . 1 1 11 11 SER H H 11 8.595 8.595 8.529 0.066 19438 4984 1 7 . 1 1 12 12 PHE N N 12 122.760 122.760 124.370 -1.610 19438 4985 1 7 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.712 -0.041 19438 4986 1 7 . 1 1 12 12 PHE C C 12 175.440 175.440 173.958 1.482 19438 4987 1 7 . 1 1 12 12 PHE CA C 12 58.580 58.580 55.041 3.538 19438 4988 1 7 . 1 1 12 12 PHE CB C 12 39.940 39.940 36.424 3.516 19438 4989 1 7 . 1 1 12 12 PHE H H 12 8.298 8.298 8.599 -0.301 19438 4990 1 7 . 1 1 13 13 HIS N N 13 120.600 120.600 120.745 -0.145 19438 4991 1 7 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.898 -0.283 19438 4992 1 7 . 1 1 13 13 HIS C C 13 174.530 174.530 174.836 -0.306 19438 4993 1 7 . 1 1 13 13 HIS CA C 13 55.610 55.610 54.124 1.486 19438 4994 1 7 . 1 1 13 13 HIS CB C 13 31.000 31.000 33.092 -2.092 19438 4995 1 7 . 1 1 13 13 HIS H H 13 8.243 8.243 7.802 0.441 19438 4996 1 7 . 1 1 14 14 ARG N N 14 122.290 122.290 123.293 -1.003 19438 4997 1 7 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.578 -0.359 19438 4998 1 7 . 1 1 14 14 ARG C C 14 176.070 176.070 175.698 0.372 19438 4999 1 7 . 1 1 14 14 ARG CA C 14 56.580 56.580 54.969 1.611 19438 5000 1 7 . 1 1 14 14 ARG CB C 14 30.790 30.790 30.773 0.017 19438 5001 1 7 . 1 1 14 14 ARG H H 14 8.320 8.320 8.882 -0.562 19438 5002 1 7 . 1 1 15 15 PHE N N 15 120.220 120.220 126.217 -5.997 19438 5003 1 7 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.699 -0.003 19438 5004 1 7 . 1 1 15 15 PHE C C 15 175.550 175.550 175.226 0.324 19438 5005 1 7 . 1 1 15 15 PHE CA C 15 57.630 57.630 58.535 -0.905 19438 5006 1 7 . 1 1 15 15 PHE CB C 15 39.920 39.920 38.994 0.926 19438 5007 1 7 . 1 1 15 15 PHE H H 15 8.409 8.409 8.947 -0.538 19438 5008 1 7 . 1 1 16 16 ASP N N 16 121.370 121.370 127.460 -6.090 19438 5009 1 7 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.336 0.215 19438 5010 1 7 . 1 1 16 16 ASP C C 16 176.590 176.590 175.947 0.643 19438 5011 1 7 . 1 1 16 16 ASP CA C 16 54.180 54.180 55.996 -1.816 19438 5012 1 7 . 1 1 16 16 ASP CB C 16 41.410 41.410 42.282 -0.872 19438 5013 1 7 . 1 1 16 16 ASP H H 16 8.397 8.397 8.697 -0.300 19438 5014 1 7 . 1 1 17 17 LYS N N 17 119.880 119.880 117.377 2.503 19438 5015 1 7 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.225 -0.058 19438 5016 1 7 . 1 1 17 17 LYS C C 17 176.550 176.550 177.007 -0.457 19438 5017 1 7 . 1 1 17 17 LYS CA C 17 57.110 57.110 57.444 -0.334 19438 5018 1 7 . 1 1 17 17 LYS CB C 17 32.420 32.420 33.311 -0.891 19438 5019 1 7 . 1 1 17 17 LYS H H 17 8.188 8.188 8.464 -0.276 19438 5020 1 7 . 1 1 18 18 HIS N N 18 118.390 118.390 116.589 1.801 19438 5021 1 7 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.803 -0.153 19438 5022 1 7 . 1 1 18 18 HIS C C 18 175.020 175.020 175.353 -0.333 19438 5023 1 7 . 1 1 18 18 HIS CA C 18 56.260 56.260 57.192 -0.932 19438 5024 1 7 . 1 1 18 18 HIS CB C 18 30.010 30.010 32.148 -2.138 19438 5025 1 7 . 1 1 18 18 HIS H H 18 8.339 8.339 8.475 -0.136 19438 5026 1 7 . 1 1 19 19 ASN N N 19 118.700 118.700 120.177 -1.477 19438 5027 1 7 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.840 -0.168 19438 5028 1 7 . 1 1 19 19 ASN C C 19 175.170 175.170 174.746 0.424 19438 5029 1 7 . 1 1 19 19 ASN CA C 19 53.800 53.800 53.341 0.459 19438 5030 1 7 . 1 1 19 19 ASN CB C 19 38.730 38.730 37.877 0.853 19438 5031 1 7 . 1 1 19 19 ASN H H 19 8.287 8.287 8.644 -0.357 19438 5032 1 7 . 1 1 20 20 MET N N 20 120.140 120.140 121.669 -1.529 19438 5033 1 7 . 1 1 20 20 MET HA H 20 4.475 4.475 4.635 -0.160 19438 5034 1 7 . 1 1 20 20 MET C C 20 176.470 176.470 173.681 2.789 19438 5035 1 7 . 1 1 20 20 MET CA C 20 55.640 55.640 56.288 -0.648 19438 5036 1 7 . 1 1 20 20 MET CB C 20 33.500 33.500 33.703 -0.203 19438 5037 1 7 . 1 1 20 20 MET H H 20 8.495 8.495 8.544 -0.049 19438 5038 1 7 . 1 1 21 21 GLU N N 21 120.920 120.920 125.323 -4.403 19438 5039 1 7 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.741 -0.540 19438 5040 1 7 . 1 1 21 21 GLU C C 21 176.380 176.380 173.484 2.896 19438 5041 1 7 . 1 1 21 21 GLU CA C 21 57.330 57.330 57.361 -0.030 19438 5042 1 7 . 1 1 21 21 GLU CB C 21 30.080 30.080 33.367 -3.288 19438 5043 1 7 . 1 1 21 21 GLU H H 21 8.450 8.450 9.081 -0.631 19438 5044 1 7 . 1 1 22 22 HIS N N 22 119.650 119.650 124.900 -5.250 19438 5045 1 7 . 1 1 22 22 HIS HA H 22 4.687 4.687 4.980 -0.293 19438 5046 1 7 . 1 1 22 22 HIS C C 22 174.470 174.470 172.464 2.006 19438 5047 1 7 . 1 1 22 22 HIS CA C 22 55.980 55.980 56.456 -0.476 19438 5048 1 7 . 1 1 22 22 HIS CB C 22 30.530 30.530 31.724 -1.194 19438 5049 1 7 . 1 1 22 22 HIS H H 22 8.334 8.334 8.910 -0.576 19438 5050 1 7 . 1 1 23 23 ILE N N 23 121.910 121.910 126.791 -4.881 19438 5051 1 7 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.186 -0.035 19438 5052 1 7 . 1 1 23 23 ILE C C 23 175.870 175.870 174.065 1.805 19438 5053 1 7 . 1 1 23 23 ILE CA C 23 61.170 61.170 58.662 2.508 19438 5054 1 7 . 1 1 23 23 ILE CB C 23 38.850 38.850 39.962 -1.113 19438 5055 1 7 . 1 1 23 23 ILE H H 23 7.782 7.782 8.619 -0.837 19438 5056 1 7 . 1 1 24 24 CYS N N 24 124.920 124.920 126.690 -1.770 19438 5057 1 7 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.685 0.109 19438 5058 1 7 . 1 1 24 24 CYS CA C 24 53.130 53.130 55.665 -2.535 19438 5059 1 7 . 1 1 24 24 CYS CB C 24 42.470 42.470 27.674 14.796 19438 5060 1 7 . 1 1 24 24 CYS H H 24 8.697 8.697 8.148 0.549 19438 5061 1 7 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.386 0.344 19438 5062 1 7 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.261 0.493 19438 5063 1 7 . 1 1 26 26 PRO C C 26 175.820 175.820 176.110 -0.290 19438 5064 1 7 . 1 1 26 26 PRO CA C 26 62.580 62.580 62.926 -0.346 19438 5065 1 7 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.575 0.015 19438 5066 1 7 . 1 1 27 27 MET N N 27 120.580 120.580 123.390 -2.810 19438 5067 1 7 . 1 1 27 27 MET HA H 27 5.180 5.180 4.992 0.188 19438 5068 1 7 . 1 1 27 27 MET C C 27 174.810 174.810 175.610 -0.800 19438 5069 1 7 . 1 1 27 27 MET CA C 27 53.270 53.270 55.639 -2.369 19438 5070 1 7 . 1 1 27 27 MET CB C 27 34.580 34.580 34.806 -0.226 19438 5071 1 7 . 1 1 27 27 MET H H 27 9.055 9.055 8.817 0.238 19438 5072 1 7 . 1 1 28 28 VAL N N 28 122.030 122.030 123.182 -1.152 19438 5073 1 7 . 1 1 28 28 VAL HA H 28 5.093 5.093 4.876 0.217 19438 5074 1 7 . 1 1 28 28 VAL C C 28 175.710 175.710 174.858 0.852 19438 5075 1 7 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.244 -0.594 19438 5076 1 7 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.099 1.371 19438 5077 1 7 . 1 1 28 28 VAL H H 28 8.575 8.575 8.607 -0.032 19438 5078 1 7 . 1 1 29 29 ILE N N 29 129.440 129.440 126.857 2.583 19438 5079 1 7 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.493 -0.127 19438 5080 1 7 . 1 1 29 29 ILE C C 29 176.490 176.490 174.822 1.668 19438 5081 1 7 . 1 1 29 29 ILE CA C 29 61.260 61.260 58.595 2.665 19438 5082 1 7 . 1 1 29 29 ILE CB C 29 37.960 37.960 37.380 0.580 19438 5083 1 7 . 1 1 29 29 ILE H H 29 9.200 9.200 9.040 0.160 19438 5084 1 7 . 1 1 30 30 GLY N N 30 112.580 112.580 111.868 0.712 19438 5085 1 7 . 1 1 30 30 GLY C C 30 175.350 175.350 173.515 1.835 19438 5086 1 7 . 1 1 30 30 GLY CA C 30 46.110 46.110 43.363 2.747 19438 5087 1 7 . 1 1 30 30 GLY H H 30 8.525 8.525 8.394 0.131 19438 5088 1 7 . 1 1 31 31 ASP N N 31 121.320 121.320 119.494 1.826 19438 5089 1 7 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.306 -0.203 19438 5090 1 7 . 1 1 31 31 ASP C C 31 175.530 175.530 174.991 0.539 19438 5091 1 7 . 1 1 31 31 ASP CA C 31 55.530 55.530 55.195 0.335 19438 5092 1 7 . 1 1 31 31 ASP CB C 31 39.620 39.620 40.390 -0.770 19438 5093 1 7 . 1 1 31 31 ASP H H 31 9.133 9.133 8.072 1.061 19438 5094 1 7 . 1 1 32 32 ARG N N 32 117.600 117.600 121.627 -4.027 19438 5095 1 7 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.866 0.165 19438 5096 1 7 . 1 1 32 32 ARG C C 32 177.060 177.060 175.061 1.999 19438 5097 1 7 . 1 1 32 32 ARG CA C 32 52.790 52.790 53.891 -1.101 19438 5098 1 7 . 1 1 32 32 ARG CB C 32 34.650 34.650 34.312 0.338 19438 5099 1 7 . 1 1 32 32 ARG H H 32 9.529 9.529 8.015 1.514 19438 5100 1 7 . 1 1 33 33 SER N N 33 116.150 116.150 118.610 -2.460 19438 5101 1 7 . 1 1 33 33 SER HA H 33 4.819 4.819 5.114 -0.295 19438 5102 1 7 . 1 1 33 33 SER C C 33 174.290 174.290 175.641 -1.351 19438 5103 1 7 . 1 1 33 33 SER CA C 33 58.130 58.130 57.222 0.908 19438 5104 1 7 . 1 1 33 33 SER CB C 33 64.530 64.530 64.791 -0.261 19438 5105 1 7 . 1 1 33 33 SER H H 33 8.400 8.400 8.381 0.019 19438 5106 1 7 . 1 1 34 34 TYR N N 34 122.110 122.110 123.618 -1.508 19438 5107 1 7 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.636 -0.251 19438 5108 1 7 . 1 1 34 34 TYR C C 34 176.280 176.280 176.771 -0.491 19438 5109 1 7 . 1 1 34 34 TYR CA C 34 63.060 63.060 63.108 -0.048 19438 5110 1 7 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.305 0.045 19438 5111 1 7 . 1 1 34 34 TYR H H 34 9.456 9.456 9.175 0.281 19438 5112 1 7 . 1 1 35 35 ASP N N 35 114.640 114.640 119.410 -4.770 19438 5113 1 7 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.229 -0.163 19438 5114 1 7 . 1 1 35 35 ASP C C 35 179.460 179.460 178.477 0.983 19438 5115 1 7 . 1 1 35 35 ASP CA C 35 57.380 57.380 58.344 -0.964 19438 5116 1 7 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.403 -0.563 19438 5117 1 7 . 1 1 35 35 ASP H H 35 8.611 8.611 8.467 0.144 19438 5118 1 7 . 1 1 36 36 ILE N N 36 120.860 120.860 120.267 0.593 19438 5119 1 7 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.715 0.133 19438 5120 1 7 . 1 1 36 36 ILE C C 36 178.000 178.000 177.687 0.313 19438 5121 1 7 . 1 1 36 36 ILE CA C 36 62.660 62.660 64.712 -2.052 19438 5122 1 7 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.962 -1.262 19438 5123 1 7 . 1 1 36 36 ILE H H 36 7.298 7.298 7.275 0.023 19438 5124 1 7 . 1 1 37 37 ALA N N 37 123.260 123.260 122.967 0.293 19438 5125 1 7 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.965 -0.233 19438 5126 1 7 . 1 1 37 37 ALA C C 37 179.720 179.720 179.273 0.447 19438 5127 1 7 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.187 0.533 19438 5128 1 7 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.161 -0.181 19438 5129 1 7 . 1 1 37 37 ALA H H 37 8.906 8.906 8.587 0.319 19438 5130 1 7 . 1 1 38 38 MET N N 38 114.900 114.900 118.182 -3.282 19438 5131 1 7 . 1 1 38 38 MET HA H 38 4.282 4.282 3.965 0.317 19438 5132 1 7 . 1 1 38 38 MET C C 38 178.940 178.940 178.095 0.845 19438 5133 1 7 . 1 1 38 38 MET CA C 38 55.940 55.940 57.622 -1.682 19438 5134 1 7 . 1 1 38 38 MET CB C 38 29.570 29.570 32.065 -2.495 19438 5135 1 7 . 1 1 38 38 MET H H 38 8.237 8.237 8.184 0.053 19438 5136 1 7 . 1 1 39 39 GLU N N 39 120.020 120.020 119.578 0.442 19438 5137 1 7 . 1 1 39 39 GLU HA H 39 4.101 4.101 3.960 0.141 19438 5138 1 7 . 1 1 39 39 GLU C C 39 180.880 180.880 179.388 1.492 19438 5139 1 7 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.132 0.498 19438 5140 1 7 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.532 -0.482 19438 5141 1 7 . 1 1 39 39 GLU H H 39 7.517 7.517 7.640 -0.123 19438 5142 1 7 . 1 1 40 40 ILE N N 40 122.000 122.000 121.304 0.696 19438 5143 1 7 . 1 1 40 40 ILE HA H 40 3.710 3.710 4.026 -0.316 19438 5144 1 7 . 1 1 40 40 ILE C C 40 177.890 177.890 177.263 0.627 19438 5145 1 7 . 1 1 40 40 ILE CA C 40 65.240 65.240 63.775 1.465 19438 5146 1 7 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.143 -1.243 19438 5147 1 7 . 1 1 40 40 ILE H H 40 8.220 8.220 8.156 0.064 19438 5148 1 7 . 1 1 41 41 VAL N N 41 120.760 120.760 120.496 0.264 19438 5149 1 7 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.513 -0.127 19438 5150 1 7 . 1 1 41 41 VAL C C 41 179.090 179.090 177.586 1.504 19438 5151 1 7 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.514 0.346 19438 5152 1 7 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.380 -0.050 19438 5153 1 7 . 1 1 41 41 VAL H H 41 8.737 8.737 8.360 0.377 19438 5154 1 7 . 1 1 42 42 ASN N N 42 119.950 119.950 117.690 2.260 19438 5155 1 7 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.489 0.118 19438 5156 1 7 . 1 1 42 42 ASN C C 42 178.080 178.080 177.468 0.612 19438 5157 1 7 . 1 1 42 42 ASN CA C 42 55.880 55.880 55.981 -0.101 19438 5158 1 7 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.553 -1.063 19438 5159 1 7 . 1 1 42 42 ASN H H 42 8.542 8.542 8.666 -0.124 19438 5160 1 7 . 1 1 43 43 GLY N N 43 112.070 112.070 109.521 2.549 19438 5161 1 7 . 1 1 43 43 GLY C C 43 176.070 176.070 176.399 -0.329 19438 5162 1 7 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.320 0.270 19438 5163 1 7 . 1 1 43 43 GLY H H 43 8.387 8.387 7.845 0.542 19438 5164 1 7 . 1 1 44 44 VAL N N 44 122.900 122.900 122.626 0.274 19438 5165 1 7 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.545 -0.018 19438 5166 1 7 . 1 1 44 44 VAL C C 44 176.700 176.700 177.465 -0.765 19438 5167 1 7 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.016 0.824 19438 5168 1 7 . 1 1 44 44 VAL CB C 44 31.250 31.250 30.993 0.257 19438 5169 1 7 . 1 1 44 44 VAL H H 44 9.078 9.078 8.404 0.674 19438 5170 1 7 . 1 1 45 45 ASP N N 45 119.070 119.070 119.553 -0.483 19438 5171 1 7 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.245 -0.053 19438 5172 1 7 . 1 1 45 45 ASP C C 45 176.540 176.540 179.110 -2.570 19438 5173 1 7 . 1 1 45 45 ASP CA C 45 58.490 58.490 57.604 0.886 19438 5174 1 7 . 1 1 45 45 ASP CB C 45 42.940 42.940 41.001 1.939 19438 5175 1 7 . 1 1 45 45 ASP H H 45 7.745 7.745 8.528 -0.783 19438 5176 1 7 . 1 1 46 46 ARG N N 46 115.750 115.750 118.944 -3.194 19438 5177 1 7 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.191 -0.197 19438 5178 1 7 . 1 1 46 46 ARG C C 46 179.760 179.760 178.565 1.195 19438 5179 1 7 . 1 1 46 46 ARG CA C 46 59.630 59.630 58.996 0.634 19438 5180 1 7 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.555 -0.364 19438 5181 1 7 . 1 1 46 46 ARG H H 46 7.557 7.557 7.739 -0.182 19438 5182 1 7 . 1 1 47 47 VAL N N 47 118.740 118.740 121.176 -2.436 19438 5183 1 7 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.795 0.117 19438 5184 1 7 . 1 1 47 47 VAL C C 47 179.150 179.150 177.685 1.465 19438 5185 1 7 . 1 1 47 47 VAL CA C 47 66.040 66.040 65.937 0.103 19438 5186 1 7 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.296 0.474 19438 5187 1 7 . 1 1 47 47 VAL H H 47 8.187 8.187 7.874 0.313 19438 5188 1 7 . 1 1 48 48 ILE N N 48 122.340 122.340 121.161 1.179 19438 5189 1 7 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.571 0.126 19438 5190 1 7 . 1 1 48 48 ILE C C 48 178.130 178.130 178.057 0.073 19438 5191 1 7 . 1 1 48 48 ILE CA C 48 66.640 66.640 66.180 0.460 19438 5192 1 7 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.365 -0.735 19438 5193 1 7 . 1 1 48 48 ILE H H 48 8.786 8.786 8.618 0.168 19438 5194 1 7 . 1 1 49 49 LYS N N 49 116.860 116.860 118.107 -1.247 19438 5195 1 7 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.225 -0.166 19438 5196 1 7 . 1 1 49 49 LYS C C 49 178.120 178.120 178.165 -0.045 19438 5197 1 7 . 1 1 49 49 LYS CA C 49 60.270 60.270 59.271 0.999 19438 5198 1 7 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.203 0.897 19438 5199 1 7 . 1 1 49 49 LYS H H 49 7.785 7.785 7.861 -0.076 19438 5200 1 7 . 1 1 50 50 ALA N N 50 117.520 117.520 122.190 -4.670 19438 5201 1 7 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.351 0.005 19438 5202 1 7 . 1 1 50 50 ALA C C 50 179.940 179.940 178.879 1.061 19438 5203 1 7 . 1 1 50 50 ALA CA C 50 53.960 53.960 54.581 -0.622 19438 5204 1 7 . 1 1 50 50 ALA CB C 50 19.360 19.360 18.802 0.558 19438 5205 1 7 . 1 1 50 50 ALA H H 50 7.740 7.740 7.700 0.040 19438 5206 1 7 . 1 1 51 51 SER N N 51 111.860 111.860 113.869 -2.009 19438 5207 1 7 . 1 1 51 51 SER HA H 51 4.287 4.287 4.439 -0.152 19438 5208 1 7 . 1 1 51 51 SER C C 51 172.840 172.840 174.046 -1.206 19438 5209 1 7 . 1 1 51 51 SER CA C 51 60.610 60.610 60.106 0.504 19438 5210 1 7 . 1 1 51 51 SER CB C 51 64.500 64.500 64.383 0.117 19438 5211 1 7 . 1 1 51 51 SER H H 51 7.957 7.957 8.377 -0.420 19438 5212 1 7 . 1 1 52 52 PHE N N 52 116.210 116.210 116.422 -0.212 19438 5213 1 7 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.640 0.137 19438 5214 1 7 . 1 1 52 52 PHE C C 52 174.210 174.210 174.686 -0.476 19438 5215 1 7 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.922 -0.632 19438 5216 1 7 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.398 1.182 19438 5217 1 7 . 1 1 52 52 PHE H H 52 7.901 7.901 7.923 -0.022 19438 5218 1 7 . 1 1 53 53 ASN N N 53 117.890 117.890 120.281 -2.391 19438 5219 1 7 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.919 -0.017 19438 5220 1 7 . 1 1 53 53 ASN C C 53 175.120 175.120 173.760 1.360 19438 5221 1 7 . 1 1 53 53 ASN CA C 53 53.950 53.950 51.682 2.268 19438 5222 1 7 . 1 1 53 53 ASN CB C 53 37.550 37.550 39.700 -2.150 19438 5223 1 7 . 1 1 53 53 ASN H H 53 8.205 8.205 8.775 -0.570 19438 5224 1 7 . 1 1 54 54 ALA N N 54 125.300 125.300 128.036 -2.736 19438 5225 1 7 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.104 0.337 19438 5226 1 7 . 1 1 54 54 ALA C C 54 176.800 176.800 176.736 0.064 19438 5227 1 7 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.385 1.175 19438 5228 1 7 . 1 1 54 54 ALA CB C 54 24.080 24.080 21.695 2.385 19438 5229 1 7 . 1 1 54 54 ALA H H 54 8.246 8.246 8.427 -0.181 19438 5230 1 7 . 1 1 55 55 SER N N 55 115.850 115.850 119.810 -3.960 19438 5231 1 7 . 1 1 55 55 SER HA H 55 4.789 4.789 4.808 -0.019 19438 5232 1 7 . 1 1 55 55 SER C C 55 172.830 172.830 173.465 -0.635 19438 5233 1 7 . 1 1 55 55 SER CA C 55 57.200 57.200 57.031 0.169 19438 5234 1 7 . 1 1 55 55 SER CB C 55 65.460 65.460 63.381 2.079 19438 5235 1 7 . 1 1 55 55 SER H H 55 8.606 8.606 8.986 -0.380 19438 5236 1 7 . 1 1 56 56 VAL N N 56 121.700 121.700 127.883 -6.183 19438 5237 1 7 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.166 0.628 19438 5238 1 7 . 1 1 56 56 VAL C C 56 173.160 173.160 174.888 -1.728 19438 5239 1 7 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.940 -0.930 19438 5240 1 7 . 1 1 56 56 VAL CB C 56 35.570 35.570 33.265 2.305 19438 5241 1 7 . 1 1 56 56 VAL H H 56 8.648 8.648 8.671 -0.023 19438 5242 1 7 . 1 1 57 57 GLU N N 57 126.130 126.130 130.588 -4.458 19438 5243 1 7 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.574 -0.062 19438 5244 1 7 . 1 1 57 57 GLU C C 57 174.090 174.090 175.225 -1.135 19438 5245 1 7 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.596 -0.046 19438 5246 1 7 . 1 1 57 57 GLU CB C 57 33.910 33.910 32.221 1.689 19438 5247 1 7 . 1 1 57 57 GLU H H 57 8.122 8.122 8.623 -0.501 19438 5248 1 7 . 1 1 58 58 GLU N N 58 124.740 124.740 124.653 0.087 19438 5249 1 7 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.344 0.343 19438 5250 1 7 . 1 1 58 58 GLU C C 58 175.410 175.410 175.541 -0.131 19438 5251 1 7 . 1 1 58 58 GLU CA C 58 55.990 55.990 55.956 0.034 19438 5252 1 7 . 1 1 58 58 GLU CB C 58 30.330 30.330 29.537 0.793 19438 5253 1 7 . 1 1 58 58 GLU H H 58 8.610 8.610 8.719 -0.109 19438 5254 1 7 . 1 1 59 59 LEU N N 59 126.780 126.780 127.051 -0.271 19438 5255 1 7 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.694 0.017 19438 5256 1 7 . 1 1 59 59 LEU C C 59 175.970 175.970 176.310 -0.340 19438 5257 1 7 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.609 0.171 19438 5258 1 7 . 1 1 59 59 LEU CB C 59 45.320 45.320 45.462 -0.142 19438 5259 1 7 . 1 1 59 59 LEU H H 59 8.259 8.259 8.890 -0.631 19438 5260 1 7 . 1 1 60 60 GLU N N 60 119.810 119.810 119.017 0.793 19438 5261 1 7 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.587 -0.239 19438 5262 1 7 . 1 1 60 60 GLU C C 60 177.560 177.560 176.137 1.423 19438 5263 1 7 . 1 1 60 60 GLU CA C 60 57.340 57.340 55.048 2.292 19438 5264 1 7 . 1 1 60 60 GLU CB C 60 30.260 30.260 31.612 -1.352 19438 5265 1 7 . 1 1 60 60 GLU H H 60 8.258 8.258 8.313 -0.055 19438 5266 1 7 . 1 1 61 61 GLY N N 61 117.720 117.720 110.450 7.270 19438 5267 1 7 . 1 1 61 61 GLY C C 61 174.320 174.320 174.215 0.105 19438 5268 1 7 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.187 0.383 19438 5269 1 7 . 1 1 61 61 GLY H H 61 8.726 8.726 8.567 0.159 19438 5270 1 7 . 1 1 62 62 GLU N N 62 121.700 121.700 119.953 1.747 19438 5271 1 7 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.217 0.314 19438 5272 1 7 . 1 1 62 62 GLU C C 62 177.690 177.690 176.578 1.112 19438 5273 1 7 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.734 -1.184 19438 5274 1 7 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.709 0.591 19438 5275 1 7 . 1 1 62 62 GLU H H 62 9.337 9.337 8.606 0.731 19438 5276 1 7 . 1 1 63 63 ASP N N 63 120.760 120.760 118.769 1.991 19438 5277 1 7 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.417 -0.087 19438 5278 1 7 . 1 1 63 63 ASP C C 63 178.080 178.080 177.138 0.942 19438 5279 1 7 . 1 1 63 63 ASP CA C 63 57.930 57.930 56.885 1.046 19438 5280 1 7 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.906 -0.136 19438 5281 1 7 . 1 1 63 63 ASP H H 63 8.632 8.632 8.830 -0.198 19438 5282 1 7 . 1 1 64 64 CYS N N 64 113.520 113.520 116.351 -2.831 19438 5283 1 7 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.456 -0.024 19438 5284 1 7 . 1 1 64 64 CYS C C 64 173.700 173.700 174.093 -0.393 19438 5285 1 7 . 1 1 64 64 CYS CA C 64 57.170 57.170 58.564 -1.394 19438 5286 1 7 . 1 1 64 64 CYS CB C 64 41.210 41.210 27.315 13.895 19438 5287 1 7 . 1 1 64 64 CYS H H 64 7.962 7.962 8.367 -0.405 19438 5288 1 7 . 1 1 65 65 ASP N N 65 120.200 120.200 120.569 -0.369 19438 5289 1 7 . 1 1 65 65 ASP HA H 65 5.190 5.190 5.055 0.135 19438 5290 1 7 . 1 1 65 65 ASP C C 65 176.540 176.540 176.771 -0.231 19438 5291 1 7 . 1 1 65 65 ASP CA C 65 54.310 54.310 54.782 -0.471 19438 5292 1 7 . 1 1 65 65 ASP CB C 65 41.150 41.150 41.427 -0.277 19438 5293 1 7 . 1 1 65 65 ASP H H 65 7.936 7.936 7.835 0.101 19438 5294 1 7 . 1 1 66 66 VAL N N 66 122.070 122.070 124.401 -2.331 19438 5295 1 7 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.210 0.057 19438 5296 1 7 . 1 1 66 66 VAL C C 66 176.000 176.000 175.753 0.247 19438 5297 1 7 . 1 1 66 66 VAL CA C 66 63.190 63.190 63.991 -0.801 19438 5298 1 7 . 1 1 66 66 VAL CB C 66 32.430 32.430 32.791 -0.361 19438 5299 1 7 . 1 1 66 66 VAL H H 66 9.431 9.431 9.088 0.343 19438 5300 1 7 . 1 1 67 67 LEU N N 67 119.700 119.700 119.044 0.656 19438 5301 1 7 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.738 -0.099 19438 5302 1 7 . 1 1 67 67 LEU C C 67 174.400 174.400 173.808 0.592 19438 5303 1 7 . 1 1 67 67 LEU CA C 67 55.100 55.100 54.886 0.214 19438 5304 1 7 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.261 -0.241 19438 5305 1 7 . 1 1 67 67 LEU H H 67 7.625 7.625 7.448 0.177 19438 5306 1 7 . 1 1 68 68 TYR N N 68 126.330 126.330 126.635 -0.305 19438 5307 1 7 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.531 0.319 19438 5308 1 7 . 1 1 68 68 TYR C C 68 173.460 173.460 173.498 -0.038 19438 5309 1 7 . 1 1 68 68 TYR CA C 68 54.660 54.660 56.109 -1.449 19438 5310 1 7 . 1 1 68 68 TYR CB C 68 38.140 38.140 41.676 -3.536 19438 5311 1 7 . 1 1 68 68 TYR H H 68 9.086 9.086 8.476 0.610 19438 5312 1 7 . 1 1 69 69 ARG N N 69 127.440 127.440 127.539 -0.099 19438 5313 1 7 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.194 -0.334 19438 5314 1 7 . 1 1 69 69 ARG C C 69 173.030 173.030 174.643 -1.613 19438 5315 1 7 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.219 0.210 19438 5316 1 7 . 1 1 69 69 ARG CB C 69 35.030 35.030 33.037 1.993 19438 5317 1 7 . 1 1 69 69 ARG H H 69 9.569 9.569 9.345 0.224 19438 5318 1 7 . 1 1 70 70 LYS N N 70 122.850 122.850 126.484 -3.634 19438 5319 1 7 . 1 1 70 70 LYS HA H 70 5.005 5.005 4.934 0.071 19438 5320 1 7 . 1 1 70 70 LYS C C 70 175.830 175.830 175.042 0.788 19438 5321 1 7 . 1 1 70 70 LYS CA C 70 54.690 54.690 55.167 -0.477 19438 5322 1 7 . 1 1 70 70 LYS CB C 70 36.040 36.040 34.524 1.516 19438 5323 1 7 . 1 1 70 70 LYS H H 70 8.612 8.612 8.772 -0.160 19438 5324 1 7 . 1 1 71 71 TYR N N 71 129.420 129.420 127.837 1.583 19438 5325 1 7 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.238 0.064 19438 5326 1 7 . 1 1 71 71 TYR C C 71 175.710 175.710 175.679 0.031 19438 5327 1 7 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.655 0.305 19438 5328 1 7 . 1 1 71 71 TYR CB C 71 40.330 40.330 39.514 0.816 19438 5329 1 7 . 1 1 71 71 TYR H H 71 9.762 9.762 9.402 0.360 19438 5330 1 7 . 1 1 72 72 THR N N 72 119.820 119.820 122.299 -2.479 19438 5331 1 7 . 1 1 72 72 THR HA H 72 4.707 4.707 4.552 0.155 19438 5332 1 7 . 1 1 72 72 THR C C 72 173.860 173.860 173.608 0.252 19438 5333 1 7 . 1 1 72 72 THR CA C 72 63.250 63.250 62.834 0.416 19438 5334 1 7 . 1 1 72 72 THR CB C 72 69.370 69.370 69.070 0.300 19438 5335 1 7 . 1 1 72 72 THR H H 72 8.845 8.845 9.217 -0.372 19438 5336 1 7 . 1 1 73 73 LEU N N 73 125.420 125.420 127.884 -2.464 19438 5337 1 7 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.539 -0.410 19438 5338 1 7 . 1 1 73 73 LEU C C 73 175.760 175.760 176.078 -0.318 19438 5339 1 7 . 1 1 73 73 LEU CA C 73 54.080 54.080 53.057 1.023 19438 5340 1 7 . 1 1 73 73 LEU CB C 73 45.350 45.350 44.130 1.220 19438 5341 1 7 . 1 1 73 73 LEU H H 73 8.929 8.929 9.207 -0.278 19438 5342 1 7 . 1 1 74 74 GLU N N 74 120.090 120.090 121.483 -1.393 19438 5343 1 7 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.441 -0.227 19438 5344 1 7 . 1 1 74 74 GLU C C 74 175.400 175.400 174.492 0.908 19438 5345 1 7 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.569 0.171 19438 5346 1 7 . 1 1 74 74 GLU CB C 74 33.040 33.040 33.702 -0.662 19438 5347 1 7 . 1 1 74 74 GLU H H 74 8.311 8.311 9.120 -0.809 19438 5348 1 7 . 1 1 75 75 LYS N N 75 124.230 124.230 127.839 -3.609 19438 5349 1 7 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.652 -0.179 19438 5350 1 7 . 1 1 75 75 LYS C C 75 175.380 175.380 175.709 -0.329 19438 5351 1 7 . 1 1 75 75 LYS CA C 75 57.060 57.060 55.100 1.960 19438 5352 1 7 . 1 1 75 75 LYS CB C 75 35.740 35.740 33.845 1.895 19438 5353 1 7 . 1 1 75 75 LYS H H 75 8.691 8.691 9.188 -0.497 19438 5354 1 7 . 1 1 76 76 GLU N N 76 127.760 127.760 125.367 2.393 19438 5355 1 7 . 1 1 76 76 GLU HA H 76 3.903 3.903 4.034 -0.131 19438 5356 1 7 . 1 1 76 76 GLU C C 76 176.190 176.190 176.391 -0.201 19438 5357 1 7 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.130 0.320 19438 5358 1 7 . 1 1 76 76 GLU CB C 76 27.830 27.830 28.996 -1.166 19438 5359 1 7 . 1 1 76 76 GLU H H 76 9.556 9.556 9.183 0.373 19438 5360 1 7 . 1 1 77 77 GLY N N 77 106.560 106.560 107.381 -0.821 19438 5361 1 7 . 1 1 77 77 GLY C C 77 174.320 174.320 174.355 -0.035 19438 5362 1 7 . 1 1 77 77 GLY CA C 77 45.640 45.640 45.042 0.598 19438 5363 1 7 . 1 1 77 77 GLY H H 77 8.928 8.928 8.473 0.455 19438 5364 1 7 . 1 1 78 78 LYS N N 78 121.600 121.600 123.905 -2.305 19438 5365 1 7 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.573 0.012 19438 5366 1 7 . 1 1 78 78 LYS C C 78 175.240 175.240 175.271 -0.031 19438 5367 1 7 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.487 -0.107 19438 5368 1 7 . 1 1 78 78 LYS CB C 78 33.490 33.490 33.638 -0.148 19438 5369 1 7 . 1 1 78 78 LYS H H 78 8.015 8.015 7.585 0.430 19438 5370 1 7 . 1 1 79 79 LYS N N 79 120.990 120.990 121.950 -0.960 19438 5371 1 7 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.191 0.008 19438 5372 1 7 . 1 1 79 79 LYS C C 79 176.150 176.150 175.069 1.081 19438 5373 1 7 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.682 0.388 19438 5374 1 7 . 1 1 79 79 LYS CB C 79 35.080 35.080 36.834 -1.754 19438 5375 1 7 . 1 1 79 79 LYS H H 79 8.438 8.438 8.559 -0.121 19438 5376 1 7 . 1 1 80 80 GLY N N 80 107.840 107.840 108.697 -0.857 19438 5377 1 7 . 1 1 80 80 GLY C C 80 170.430 170.430 171.495 -1.065 19438 5378 1 7 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.012 0.248 19438 5379 1 7 . 1 1 80 80 GLY H H 80 8.391 8.391 8.347 0.044 19438 5380 1 7 . 1 1 81 81 ILE N N 81 120.670 120.670 118.347 2.323 19438 5381 1 7 . 1 1 81 81 ILE HA H 81 5.282 5.282 4.874 0.408 19438 5382 1 7 . 1 1 81 81 ILE C C 81 175.210 175.210 174.539 0.671 19438 5383 1 7 . 1 1 81 81 ILE CA C 81 58.640 58.640 59.654 -1.014 19438 5384 1 7 . 1 1 81 81 ILE CB C 81 42.420 42.420 42.146 0.274 19438 5385 1 7 . 1 1 81 81 ILE H H 81 8.623 8.623 8.775 -0.152 19438 5386 1 7 . 1 1 82 82 VAL N N 82 121.970 121.970 124.024 -2.054 19438 5387 1 7 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.840 -0.126 19438 5388 1 7 . 1 1 82 82 VAL C C 82 174.230 174.230 174.868 -0.638 19438 5389 1 7 . 1 1 82 82 VAL CA C 82 61.010 61.010 60.736 0.273 19438 5390 1 7 . 1 1 82 82 VAL CB C 82 35.260 35.260 33.726 1.534 19438 5391 1 7 . 1 1 82 82 VAL H H 82 8.967 8.967 9.075 -0.108 19438 5392 1 7 . 1 1 83 83 HIS N N 83 129.690 129.690 127.634 2.056 19438 5393 1 7 . 1 1 83 83 HIS HA H 83 5.219 5.219 5.079 0.140 19438 5394 1 7 . 1 1 83 83 HIS C C 83 174.960 174.960 174.356 0.604 19438 5395 1 7 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.798 0.642 19438 5396 1 7 . 1 1 83 83 HIS CB C 83 32.240 32.240 30.525 1.715 19438 5397 1 7 . 1 1 83 83 HIS H H 83 8.960 8.960 9.466 -0.506 19438 5398 1 7 . 1 1 84 84 VAL N N 84 125.620 125.620 127.203 -1.583 19438 5399 1 7 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.481 0.645 19438 5400 1 7 . 1 1 84 84 VAL C C 84 174.590 174.590 174.634 -0.044 19438 5401 1 7 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.045 1.185 19438 5402 1 7 . 1 1 84 84 VAL CB C 84 34.020 34.020 31.405 2.615 19438 5403 1 7 . 1 1 84 84 VAL H H 84 9.834 9.834 9.172 0.662 19438 5404 1 7 . 1 1 85 85 LYS N N 85 125.370 125.370 126.576 -1.206 19438 5405 1 7 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.340 0.124 19438 5406 1 7 . 1 1 85 85 LYS C C 85 174.890 174.890 175.295 -0.405 19438 5407 1 7 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.694 0.516 19438 5408 1 7 . 1 1 85 85 LYS CB C 85 36.430 36.430 35.556 0.874 19438 5409 1 7 . 1 1 85 85 LYS H H 85 9.517 9.517 9.177 0.340 19438 5410 1 7 . 1 1 86 86 LEU N N 86 123.830 123.830 125.034 -1.204 19438 5411 1 7 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.757 0.390 19438 5412 1 7 . 1 1 86 86 LEU C C 86 174.760 174.760 175.824 -1.064 19438 5413 1 7 . 1 1 86 86 LEU CA C 86 54.210 54.210 53.974 0.236 19438 5414 1 7 . 1 1 86 86 LEU CB C 86 44.830 44.830 42.487 2.343 19438 5415 1 7 . 1 1 86 86 LEU H H 86 8.400 8.400 9.149 -0.749 19438 5416 1 7 . 1 1 87 87 ARG N N 87 128.610 128.610 123.652 4.958 19438 5417 1 7 . 1 1 87 87 ARG HA H 87 5.473 5.473 5.081 0.392 19438 5418 1 7 . 1 1 87 87 ARG C C 87 176.130 176.130 175.463 0.667 19438 5419 1 7 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.360 0.610 19438 5420 1 7 . 1 1 87 87 ARG CB C 87 34.230 34.230 32.124 2.106 19438 5421 1 7 . 1 1 87 87 ARG H H 87 9.647 9.647 9.102 0.545 19438 5422 1 7 . 1 1 88 88 LYS N N 88 122.810 122.810 125.455 -2.645 19438 5423 1 7 . 1 1 88 88 LYS HA H 88 4.138 4.138 3.950 0.188 19438 5424 1 7 . 1 1 88 88 LYS C C 88 174.890 174.890 175.617 -0.727 19438 5425 1 7 . 1 1 88 88 LYS CA C 88 56.330 56.330 55.592 0.738 19438 5426 1 7 . 1 1 88 88 LYS CB C 88 34.310 34.310 33.208 1.102 19438 5427 1 7 . 1 1 88 88 LYS H H 88 8.510 8.510 8.646 -0.136 19438 5428 1 7 . 1 1 89 89 ILE N N 89 120.880 120.880 129.007 -8.127 19438 5429 1 7 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.080 0.551 19438 5430 1 7 . 1 1 89 89 ILE C C 89 176.400 176.400 174.156 2.244 19438 5431 1 7 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.232 -0.562 19438 5432 1 7 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.888 -1.168 19438 5433 1 7 . 1 1 89 89 ILE H H 89 7.470 7.470 8.120 -0.650 19438 5434 1 7 . 1 1 90 90 THR N N 90 116.610 116.610 123.288 -6.678 19438 5435 1 7 . 1 1 90 90 THR HA H 90 4.700 4.700 4.683 0.017 19438 5436 1 7 . 1 1 90 90 THR CA C 90 59.100 59.100 59.355 -0.255 19438 5437 1 7 . 1 1 90 90 THR CB C 90 72.600 72.600 70.665 1.935 19438 5438 1 7 . 1 1 90 90 THR H H 90 7.701 7.701 7.792 -0.091 19438 5439 1 7 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.261 -0.231 19438 5440 1 7 . 1 1 91 91 GLU C C 91 177.100 177.100 176.080 1.020 19438 5441 1 7 . 1 1 91 91 GLU CA C 91 59.640 59.640 57.952 1.688 19438 5442 1 7 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.727 -0.676 19438 5443 1 7 . 1 1 92 92 ASN N N 92 113.650 113.650 116.782 -3.132 19438 5444 1 7 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.765 -0.065 19438 5445 1 7 . 1 1 92 92 ASN C C 92 174.100 174.100 173.696 0.404 19438 5446 1 7 . 1 1 92 92 ASN CA C 92 53.490 53.490 53.036 0.454 19438 5447 1 7 . 1 1 92 92 ASN CB C 92 39.270 39.270 40.019 -0.749 19438 5448 1 7 . 1 1 92 92 ASN H H 92 7.915 7.915 8.092 -0.177 19438 5449 1 7 . 1 1 93 93 CYS N N 93 120.190 120.190 120.872 -0.682 19438 5450 1 7 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.957 0.119 19438 5451 1 7 . 1 1 93 93 CYS CA C 93 52.610 52.610 56.140 -3.530 19438 5452 1 7 . 1 1 93 93 CYS CB C 93 42.090 42.090 29.860 12.230 19438 5453 1 7 . 1 1 93 93 CYS H H 93 7.514 7.514 7.938 -0.424 19438 5454 1 7 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.807 -0.017 19438 5455 1 7 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.415 0.085 19438 5456 1 7 . 1 1 95 95 PRO C C 95 177.770 177.770 176.240 1.530 19438 5457 1 7 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.274 0.466 19438 5458 1 7 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.834 -0.734 19438 5459 1 7 . 1 1 96 96 VAL N N 96 123.600 123.600 119.261 4.339 19438 5460 1 7 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.205 -0.258 19438 5461 1 7 . 1 1 96 96 VAL C C 96 175.780 175.780 175.376 0.404 19438 5462 1 7 . 1 1 96 96 VAL CA C 96 62.100 62.100 61.385 0.715 19438 5463 1 7 . 1 1 96 96 VAL CB C 96 32.580 32.580 33.174 -0.594 19438 5464 1 7 . 1 1 96 96 VAL H H 96 9.071 9.071 8.594 0.477 19438 5465 1 7 . 1 1 97 97 ASP N N 97 125.400 125.400 123.633 1.767 19438 5466 1 7 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.780 -0.110 19438 5467 1 7 . 1 1 97 97 ASP C C 97 175.410 175.410 175.199 0.211 19438 5468 1 7 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.818 0.192 19438 5469 1 7 . 1 1 97 97 ASP CB C 97 41.580 41.580 42.818 -1.238 19438 5470 1 7 . 1 1 97 97 ASP H H 97 8.313 8.313 8.378 -0.065 19438 5471 1 7 . 1 1 98 98 GLY N N 98 108.310 108.310 109.592 -1.282 19438 5472 1 7 . 1 1 98 98 GLY C C 98 173.140 173.140 173.095 0.045 19438 5473 1 7 . 1 1 98 98 GLY CA C 98 45.270 45.270 44.457 0.813 19438 5474 1 7 . 1 1 98 98 GLY H H 98 7.838 7.838 8.243 -0.405 19438 5475 1 7 . 1 1 99 99 ASN N N 99 120.050 120.050 120.020 0.030 19438 5476 1 7 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.451 0.731 19438 5477 1 7 . 1 1 99 99 ASN C C 99 174.700 174.700 175.099 -0.399 19438 5478 1 7 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.733 -0.613 19438 5479 1 7 . 1 1 99 99 ASN CB C 99 39.360 39.360 38.841 0.519 19438 5480 1 7 . 1 1 99 99 ASN H H 99 8.685 8.685 8.347 0.338 19438 5481 1 7 . 1 1 100 100 ARG N N 100 121.100 121.100 126.013 -4.913 19438 5482 1 7 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.570 0.339 19438 5483 1 7 . 1 1 100 100 ARG C C 100 176.930 176.930 175.920 1.010 19438 5484 1 7 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.899 -0.089 19438 5485 1 7 . 1 1 100 100 ARG CB C 100 31.710 31.710 29.709 2.001 19438 5486 1 7 . 1 1 100 100 ARG H H 100 8.502 8.502 8.055 0.447 19438 5487 1 7 . 1 1 101 101 CYS N N 101 121.180 121.180 124.286 -3.106 19438 5488 1 7 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.382 0.324 19438 5489 1 7 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.752 -3.482 19438 5490 1 7 . 1 1 101 101 CYS H H 101 8.607 8.607 8.475 0.132 19438 5491 1 7 . 1 1 102 102 SER HA H 102 4.565 4.565 4.407 0.158 19438 5492 1 7 . 1 1 102 102 SER C C 102 174.220 174.220 173.311 0.909 19438 5493 1 7 . 1 1 102 102 SER CA C 102 57.900 57.900 58.917 -1.017 19438 5494 1 7 . 1 1 102 102 SER CB C 102 63.700 63.700 62.059 1.641 19438 5495 1 7 . 1 1 103 103 VAL N N 103 122.910 122.910 126.028 -3.118 19438 5496 1 7 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.079 0.143 19438 5497 1 7 . 1 1 103 103 VAL C C 103 175.070 175.070 175.108 -0.038 19438 5498 1 7 . 1 1 103 103 VAL CA C 103 62.440 62.440 62.383 0.057 19438 5499 1 7 . 1 1 103 103 VAL H H 103 8.332 8.332 8.074 0.258 19438 5500 1 7 . 1 1 104 104 LEU N N 104 125.940 125.940 126.531 -0.591 19438 5501 1 7 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.833 -0.420 19438 5502 1 7 . 1 1 104 104 LEU C C 104 177.220 177.220 175.838 1.382 19438 5503 1 7 . 1 1 104 104 LEU CA C 104 55.930 55.930 55.634 0.296 19438 5504 1 7 . 1 1 104 104 LEU CB C 104 42.890 42.890 44.079 -1.189 19438 5505 1 7 . 1 1 104 104 LEU H H 104 8.831 8.831 9.734 -0.903 19438 5506 1 7 . 1 1 105 105 GLU N N 105 120.540 120.540 117.697 2.843 19438 5507 1 7 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.729 -0.318 19438 5508 1 7 . 1 1 105 105 GLU C C 105 175.400 175.400 176.153 -0.753 19438 5509 1 7 . 1 1 105 105 GLU CA C 105 55.890 55.890 55.206 0.684 19438 5510 1 7 . 1 1 105 105 GLU CB C 105 30.460 30.460 32.538 -2.078 19438 5511 1 7 . 1 1 105 105 GLU H H 105 8.070 8.070 7.760 0.310 19438 5512 1 7 . 1 1 106 106 PHE N N 106 124.060 124.060 123.740 0.320 19438 5513 1 7 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.014 0.047 19438 5514 1 7 . 1 1 106 106 PHE C C 106 175.880 175.880 177.016 -1.136 19438 5515 1 7 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.663 0.457 19438 5516 1 7 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.049 0.621 19438 5517 1 7 . 1 1 106 106 PHE H H 106 8.666 8.666 8.682 -0.016 19438 5518 1 7 . 1 1 107 107 GLU N N 107 117.290 117.290 118.168 -0.878 19438 5519 1 7 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.559 0.327 19438 5520 1 7 . 1 1 107 107 GLU C C 107 178.050 178.050 179.125 -1.075 19438 5521 1 7 . 1 1 107 107 GLU CA C 107 59.360 59.360 59.899 -0.539 19438 5522 1 7 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.133 0.197 19438 5523 1 7 . 1 1 107 107 GLU H H 107 8.932 8.932 8.701 0.231 19438 5524 1 7 . 1 1 108 108 ARG N N 108 117.240 117.240 119.161 -1.921 19438 5525 1 7 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.110 0.198 19438 5526 1 7 . 1 1 108 108 ARG C C 108 177.930 177.930 178.627 -0.697 19438 5527 1 7 . 1 1 108 108 ARG CA C 108 57.120 57.120 58.506 -1.386 19438 5528 1 7 . 1 1 108 108 ARG CB C 108 31.110 31.110 29.994 1.116 19438 5529 1 7 . 1 1 108 108 ARG H H 108 7.533 7.533 7.713 -0.180 19438 5530 1 7 . 1 1 109 109 ASP N N 109 120.040 120.040 121.624 -1.584 19438 5531 1 7 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.503 0.097 19438 5532 1 7 . 1 1 109 109 ASP C C 109 177.980 177.980 178.688 -0.708 19438 5533 1 7 . 1 1 109 109 ASP CA C 109 56.810 56.810 58.126 -1.316 19438 5534 1 7 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.642 0.859 19438 5535 1 7 . 1 1 109 109 ASP H H 109 8.295 8.295 8.366 -0.071 19438 5536 1 7 . 1 1 110 110 ILE N N 110 118.710 118.710 120.108 -1.398 19438 5537 1 7 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.646 0.148 19438 5538 1 7 . 1 1 110 110 ILE C C 110 176.740 176.740 176.783 -0.043 19438 5539 1 7 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.438 -1.588 19438 5540 1 7 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.796 -0.766 19438 5541 1 7 . 1 1 110 110 ILE H H 110 8.081 8.081 8.173 -0.092 19438 5542 1 7 . 1 1 111 111 GLU N N 111 121.140 121.140 120.419 0.721 19438 5543 1 7 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.840 0.122 19438 5544 1 7 . 1 1 111 111 GLU C C 111 177.400 177.400 178.537 -1.137 19438 5545 1 7 . 1 1 111 111 GLU CA C 111 59.600 59.600 60.072 -0.472 19438 5546 1 7 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.525 -0.225 19438 5547 1 7 . 1 1 111 111 GLU H H 111 7.558 7.558 7.918 -0.360 19438 5548 1 7 . 1 1 112 112 CYS N N 112 117.380 117.380 118.770 -1.390 19438 5549 1 7 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.256 -0.153 19438 5550 1 7 . 1 1 112 112 CYS C C 112 176.570 176.570 177.386 -0.816 19438 5551 1 7 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.681 -3.392 19438 5552 1 7 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.085 15.825 19438 5553 1 7 . 1 1 112 112 CYS H H 112 7.739 7.739 7.756 -0.017 19438 5554 1 7 . 1 1 113 113 ILE N N 113 118.520 118.520 121.081 -2.561 19438 5555 1 7 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.864 -0.031 19438 5556 1 7 . 1 1 113 113 ILE C C 113 177.220 177.220 178.585 -1.365 19438 5557 1 7 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.567 -0.157 19438 5558 1 7 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.554 0.876 19438 5559 1 7 . 1 1 113 113 ILE H H 113 7.682 7.682 8.183 -0.501 19438 5560 1 7 . 1 1 114 114 VAL N N 114 120.390 120.390 120.395 -0.005 19438 5561 1 7 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.583 -0.115 19438 5562 1 7 . 1 1 114 114 VAL C C 114 177.970 177.970 178.345 -0.375 19438 5563 1 7 . 1 1 114 114 VAL CA C 114 67.960 67.960 66.849 1.111 19438 5564 1 7 . 1 1 114 114 VAL CB C 114 31.730 31.730 30.687 1.043 19438 5565 1 7 . 1 1 114 114 VAL H H 114 7.765 7.765 8.440 -0.675 19438 5566 1 7 . 1 1 115 115 LYS N N 115 118.840 118.840 120.072 -1.232 19438 5567 1 7 . 1 1 115 115 LYS HA H 115 4.129 4.129 3.983 0.146 19438 5568 1 7 . 1 1 115 115 LYS C C 115 178.870 178.870 178.883 -0.013 19438 5569 1 7 . 1 1 115 115 LYS CA C 115 59.300 59.300 60.060 -0.760 19438 5570 1 7 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.121 -0.211 19438 5571 1 7 . 1 1 115 115 LYS H H 115 8.314 8.314 8.308 0.006 19438 5572 1 7 . 1 1 116 116 ALA N N 116 121.000 121.000 122.124 -1.124 19438 5573 1 7 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.041 0.185 19438 5574 1 7 . 1 1 116 116 ALA C C 116 181.600 181.600 179.548 2.052 19438 5575 1 7 . 1 1 116 116 ALA CA C 116 55.320 55.320 55.069 0.251 19438 5576 1 7 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.312 0.338 19438 5577 1 7 . 1 1 116 116 ALA H H 116 7.427 7.427 7.970 -0.543 19438 5578 1 7 . 1 1 117 117 ILE N N 117 120.090 120.090 119.200 0.890 19438 5579 1 7 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.502 -0.189 19438 5580 1 7 . 1 1 117 117 ILE C C 117 177.630 177.630 177.981 -0.351 19438 5581 1 7 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.917 0.593 19438 5582 1 7 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.755 0.105 19438 5583 1 7 . 1 1 117 117 ILE H H 117 8.121 8.121 8.331 -0.210 19438 5584 1 7 . 1 1 118 118 GLU N N 118 119.300 119.300 118.959 0.341 19438 5585 1 7 . 1 1 118 118 GLU HA H 118 3.886 3.886 4.109 -0.223 19438 5586 1 7 . 1 1 118 118 GLU C C 118 179.850 179.850 179.041 0.809 19438 5587 1 7 . 1 1 118 118 GLU CA C 118 60.760 60.760 59.567 1.193 19438 5588 1 7 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.432 0.218 19438 5589 1 7 . 1 1 118 118 GLU H H 118 8.657 8.657 8.506 0.151 19438 5590 1 7 . 1 1 119 119 GLU N N 119 119.080 119.080 120.522 -1.442 19438 5591 1 7 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.105 -0.037 19438 5592 1 7 . 1 1 119 119 GLU C C 119 178.670 178.670 178.548 0.122 19438 5593 1 7 . 1 1 119 119 GLU CA C 119 59.390 59.390 59.339 0.051 19438 5594 1 7 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.929 -0.209 19438 5595 1 7 . 1 1 119 119 GLU H H 119 8.596 8.596 8.235 0.361 19438 5596 1 7 . 1 1 120 120 CYS N N 120 117.950 117.950 118.648 -0.698 19438 5597 1 7 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.428 0.014 19438 5598 1 7 . 1 1 120 120 CYS C C 120 177.280 177.280 176.870 0.410 19438 5599 1 7 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.298 -3.818 19438 5600 1 7 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.192 13.229 19438 5601 1 7 . 1 1 120 120 CYS H H 120 7.686 7.686 8.239 -0.553 19438 5602 1 7 . 1 1 121 121 LEU N N 121 118.000 118.000 118.342 -0.342 19438 5603 1 7 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.260 -0.239 19438 5604 1 7 . 1 1 121 121 LEU C C 121 179.010 179.010 179.058 -0.048 19438 5605 1 7 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.352 0.318 19438 5606 1 7 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.911 -0.531 19438 5607 1 7 . 1 1 121 121 LEU H H 121 8.194 8.194 7.903 0.291 19438 5608 1 7 . 1 1 122 122 ALA N N 122 119.940 119.940 121.567 -1.627 19438 5609 1 7 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.255 -0.029 19438 5610 1 7 . 1 1 122 122 ALA C C 122 179.040 179.040 178.744 0.296 19438 5611 1 7 . 1 1 122 122 ALA CA C 122 54.160 54.160 54.265 -0.105 19438 5612 1 7 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.818 0.062 19438 5613 1 7 . 1 1 122 122 ALA H H 122 7.974 7.974 7.671 0.303 19438 5614 1 7 . 1 1 123 123 LYS N N 123 117.940 117.940 117.034 0.906 19438 5615 1 7 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.291 -0.100 19438 5616 1 7 . 1 1 123 123 LYS C C 123 177.770 177.770 175.877 1.893 19438 5617 1 7 . 1 1 123 123 LYS CA C 123 57.710 57.710 54.313 3.397 19438 5618 1 7 . 1 1 123 123 LYS CB C 123 32.570 32.570 31.905 0.665 19438 5619 1 7 . 1 1 123 123 LYS H H 123 7.774 7.774 8.076 -0.302 19438 5620 1 7 . 1 1 124 124 GLY N N 124 107.510 107.510 106.829 0.681 19438 5621 1 7 . 1 1 124 124 GLY C C 124 174.290 174.290 174.474 -0.184 19438 5622 1 7 . 1 1 124 124 GLY CA C 124 46.060 46.060 45.894 0.166 19438 5623 1 7 . 1 1 124 124 GLY H H 124 8.084 8.084 7.177 0.907 19438 5624 1 7 . 1 1 125 125 GLU N N 125 120.170 120.170 119.932 0.238 19438 5625 1 7 . 1 1 125 125 GLU HA H 125 4.318 4.318 4.060 0.258 19438 5626 1 7 . 1 1 125 125 GLU C C 125 176.940 176.940 175.291 1.649 19438 5627 1 7 . 1 1 125 125 GLU CA C 125 56.780 56.780 57.738 -0.958 19438 5628 1 7 . 1 1 125 125 GLU CB C 125 30.760 30.760 27.964 2.796 19438 5629 1 7 . 1 1 125 125 GLU H H 125 7.997 7.997 8.987 -0.990 19438 5630 1 7 . 1 1 126 126 LEU N N 126 122.210 122.210 119.747 2.463 19438 5631 1 7 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.654 -0.344 19438 5632 1 7 . 1 1 126 126 LEU C C 126 177.320 177.320 175.278 2.042 19438 5633 1 7 . 1 1 126 126 LEU CA C 126 55.940 55.940 54.169 1.771 19438 5634 1 7 . 1 1 126 126 LEU CB C 126 42.540 42.540 42.820 -0.280 19438 5635 1 7 . 1 1 126 126 LEU H H 126 8.218 8.218 7.560 0.658 19438 5636 1 7 . 1 1 127 127 ASN N N 127 119.250 119.250 121.173 -1.923 19438 5637 1 7 . 1 1 127 127 ASN HA H 127 4.694 4.694 5.051 -0.357 19438 5638 1 7 . 1 1 127 127 ASN C C 127 175.720 175.720 173.552 2.168 19438 5639 1 7 . 1 1 127 127 ASN CA C 127 53.930 53.930 53.207 0.723 19438 5640 1 7 . 1 1 127 127 ASN CB C 127 38.970 38.970 42.100 -3.130 19438 5641 1 7 . 1 1 127 127 ASN H H 127 8.445 8.445 8.296 0.149 19438 5642 1 7 . 1 1 128 128 SER N N 128 116.060 116.060 117.954 -1.894 19438 5643 1 7 . 1 1 128 128 SER HA H 128 4.373 4.373 4.517 -0.144 19438 5644 1 7 . 1 1 128 128 SER C C 128 174.830 174.830 173.482 1.348 19438 5645 1 7 . 1 1 128 128 SER CA C 128 59.120 59.120 57.680 1.440 19438 5646 1 7 . 1 1 128 128 SER CB C 128 63.830 63.830 63.242 0.588 19438 5647 1 7 . 1 1 128 128 SER H H 128 8.182 8.182 8.479 -0.297 19438 5648 1 7 . 1 1 129 129 LYS N N 129 122.520 122.520 125.261 -2.741 19438 5649 1 7 . 1 1 129 129 LYS HA H 129 4.358 4.358 3.696 0.662 19438 5650 1 7 . 1 1 129 129 LYS C C 129 176.750 176.750 174.240 2.510 19438 5651 1 7 . 1 1 129 129 LYS CA C 129 56.710 56.710 56.672 0.038 19438 5652 1 7 . 1 1 129 129 LYS CB C 129 32.760 32.760 31.710 1.050 19438 5653 1 7 . 1 1 129 129 LYS H H 129 8.154 8.154 8.485 -0.331 19438 5654 1 7 . 1 1 130 130 LEU N N 130 122.340 122.340 125.310 -2.970 19438 5655 1 7 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.280 0.048 19438 5656 1 7 . 1 1 130 130 LEU C C 130 177.430 177.430 175.877 1.553 19438 5657 1 7 . 1 1 130 130 LEU CA C 130 57.430 57.430 56.170 1.260 19438 5658 1 7 . 1 1 130 130 LEU CB C 130 42.380 42.380 43.001 -0.621 19438 5659 1 7 . 1 1 130 130 LEU H H 130 8.070 8.070 8.021 0.049 19438 5660 1 7 . 1 1 131 131 GLU N N 131 121.450 121.450 124.547 -3.097 19438 5661 1 7 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.429 -0.134 19438 5662 1 7 . 1 1 131 131 GLU C C 131 176.920 176.920 175.540 1.380 19438 5663 1 7 . 1 1 131 131 GLU CA C 131 56.690 56.690 55.613 1.077 19438 5664 1 7 . 1 1 131 131 GLU CB C 131 30.380 30.380 30.910 -0.530 19438 5665 1 7 . 1 1 131 131 GLU H H 131 8.250 8.250 8.363 -0.113 19438 5666 1 7 . 1 1 132 132 GLY N N 132 109.900 109.900 113.471 -3.571 19438 5667 1 7 . 1 1 132 132 GLY C C 132 173.770 173.770 173.084 0.686 19438 5668 1 7 . 1 1 132 132 GLY CA C 132 45.290 45.290 44.687 0.603 19438 5669 1 7 . 1 1 132 132 GLY H H 132 8.334 8.334 8.130 0.204 19438 5670 1 7 . 1 1 133 133 LYS N N 133 121.920 121.920 120.393 1.527 19438 5671 1 7 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.703 -0.039 19438 5672 1 7 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.836 0.314 19438 5673 1 7 . 1 1 133 133 LYS CB C 133 32.710 32.710 33.579 -0.869 19438 5674 1 7 . 1 1 133 133 LYS H H 133 8.037 8.037 8.146 -0.109 19438 5675 1 7 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.461 -0.010 19438 5676 1 7 . 1 1 134 134 PRO C C 134 176.670 176.670 175.649 1.021 19438 5677 1 7 . 1 1 134 134 PRO CA C 134 62.940 62.940 63.352 -0.413 19438 5678 1 7 . 1 1 134 134 PRO CB C 134 31.890 31.890 31.983 -0.093 19438 5679 1 7 . 1 1 135 135 ILE N N 135 122.710 122.710 124.757 -2.047 19438 5680 1 7 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.370 0.058 19438 5681 1 7 . 1 1 135 135 ILE CA C 135 58.770 58.770 57.353 1.417 19438 5682 1 7 . 1 1 135 135 ILE CB C 135 38.640 38.640 37.559 1.081 19438 5683 1 7 . 1 1 135 135 ILE H H 135 8.227 8.227 8.452 -0.225 19438 5684 1 7 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.486 -0.114 19438 5685 1 7 . 1 1 136 136 PRO C C 136 176.330 176.330 175.676 0.654 19438 5686 1 7 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.746 0.504 19438 5687 1 7 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.239 -0.229 19438 5688 1 7 . 1 1 137 137 ASN HA H 137 4.941 4.941 5.097 -0.156 19438 5689 1 7 . 1 1 137 137 ASN CA C 137 51.270 51.270 51.219 0.050 19438 5690 1 7 . 1 1 137 137 ASN CB C 137 38.670 38.670 38.846 -0.177 19438 5691 1 7 . 1 1 137 137 ASN H H 137 8.383 8.383 8.314 0.069 19438 5692 1 7 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.416 -0.012 19438 5693 1 7 . 1 1 138 138 PRO C C 138 177.210 177.210 175.862 1.348 19438 5694 1 7 . 1 1 138 138 PRO CA C 138 63.310 63.310 63.178 0.132 19438 5695 1 7 . 1 1 138 138 PRO CB C 138 32.100 32.100 32.220 -0.120 19438 5696 1 7 . 1 1 139 139 LEU N N 139 119.860 119.860 118.202 1.658 19438 5697 1 7 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.008 0.293 19438 5698 1 7 . 1 1 139 139 LEU C C 139 177.640 177.640 174.924 2.716 19438 5699 1 7 . 1 1 139 139 LEU CA C 139 55.610 55.610 55.219 0.391 19438 5700 1 7 . 1 1 139 139 LEU CB C 139 41.540 41.540 41.334 0.206 19438 5701 1 7 . 1 1 139 139 LEU H H 139 8.096 8.096 7.730 0.366 19438 5702 1 7 . 1 1 140 140 LEU N N 140 121.040 121.040 127.351 -6.311 19438 5703 1 7 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.750 -0.435 19438 5704 1 7 . 1 1 140 140 LEU C C 140 177.840 177.840 175.307 2.533 19438 5705 1 7 . 1 1 140 140 LEU CA C 140 55.370 55.370 53.992 1.378 19438 5706 1 7 . 1 1 140 140 LEU CB C 140 42.390 42.390 44.290 -1.900 19438 5707 1 7 . 1 1 140 140 LEU H H 140 7.749 7.749 8.486 -0.737 19438 5708 1 7 . 1 1 141 141 GLY N N 141 108.960 108.960 114.890 -5.930 19438 5709 1 7 . 1 1 141 141 GLY C C 141 174.380 174.380 173.894 0.486 19438 5710 1 7 . 1 1 141 141 GLY CA C 141 45.650 45.650 44.654 0.996 19438 5711 1 7 . 1 1 141 141 GLY H H 141 8.231 8.231 8.483 -0.252 19438 5712 1 7 . 1 1 142 142 LEU N N 142 121.470 121.470 122.338 -0.868 19438 5713 1 7 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.832 -0.496 19438 5714 1 7 . 1 1 142 142 LEU C C 142 177.390 177.390 176.488 0.902 19438 5715 1 7 . 1 1 142 142 LEU CA C 142 55.630 55.630 53.400 2.230 19438 5716 1 7 . 1 1 142 142 LEU CB C 142 42.600 42.600 43.250 -0.650 19438 5717 1 7 . 1 1 142 142 LEU H H 142 8.004 8.004 7.890 0.114 19438 5718 1 7 . 1 1 143 143 ASP N N 143 120.770 120.770 121.274 -0.504 19438 5719 1 7 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.772 -0.099 19438 5720 1 7 . 1 1 143 143 ASP C C 143 176.870 176.870 175.454 1.416 19438 5721 1 7 . 1 1 143 143 ASP CA C 143 54.400 54.400 54.410 -0.010 19438 5722 1 7 . 1 1 143 143 ASP CB C 143 41.170 41.170 40.802 0.368 19438 5723 1 7 . 1 1 143 143 ASP H H 143 8.380 8.380 8.612 -0.232 19438 5724 1 7 . 1 1 144 144 SER N N 144 116.820 116.820 119.003 -2.183 19438 5725 1 7 . 1 1 144 144 SER HA H 144 4.413 4.413 4.655 -0.242 19438 5726 1 7 . 1 1 144 144 SER C C 144 175.300 175.300 173.267 2.033 19438 5727 1 7 . 1 1 144 144 SER CA C 144 59.190 59.190 57.990 1.200 19438 5728 1 7 . 1 1 144 144 SER CB C 144 63.770 63.770 64.161 -0.391 19438 5729 1 7 . 1 1 144 144 SER H H 144 8.298 8.298 8.395 -0.097 19438 5730 1 7 . 1 1 145 145 THR N N 145 114.870 114.870 118.131 -3.261 19438 5731 1 7 . 1 1 145 145 THR HA H 145 4.419 4.419 4.603 -0.184 19438 5732 1 7 . 1 1 145 145 THR C C 145 175.070 175.070 174.183 0.887 19438 5733 1 7 . 1 1 145 145 THR CA C 145 62.880 62.880 62.301 0.579 19438 5734 1 7 . 1 1 145 145 THR CB C 145 69.710 69.710 67.898 1.812 19438 5735 1 7 . 1 1 145 145 THR H H 145 8.208 8.208 7.948 0.260 19438 5736 1 7 . 1 1 146 146 ARG N N 146 122.450 122.450 127.640 -5.190 19438 5737 1 7 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.717 -0.335 19438 5738 1 7 . 1 1 146 146 ARG C C 146 176.570 176.570 174.643 1.927 19438 5739 1 7 . 1 1 146 146 ARG CA C 146 56.350 56.350 55.071 1.280 19438 5740 1 7 . 1 1 146 146 ARG CB C 146 30.620 30.620 32.657 -2.037 19438 5741 1 7 . 1 1 146 146 ARG H H 146 8.122 8.122 8.032 0.090 19438 5742 1 7 . 1 1 147 147 THR N N 147 113.830 113.830 117.684 -3.854 19438 5743 1 7 . 1 1 147 147 THR HA H 147 4.400 4.400 4.681 -0.281 19438 5744 1 7 . 1 1 147 147 THR C C 147 175.200 175.200 173.953 1.247 19438 5745 1 7 . 1 1 147 147 THR CA C 147 62.110 62.110 61.674 0.436 19438 5746 1 7 . 1 1 147 147 THR CB C 147 69.950 69.950 70.757 -0.807 19438 5747 1 7 . 1 1 147 147 THR H H 147 8.039 8.039 8.459 -0.420 19438 5748 1 8 . 1 1 2 2 LYS N N 2 124.740 124.740 123.036 1.704 19438 5749 1 8 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.778 0.032 19438 5750 1 8 . 1 1 2 2 LYS C C 2 173.640 173.640 175.386 -1.746 19438 5751 1 8 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.020 -1.060 19438 5752 1 8 . 1 1 2 2 LYS CB C 2 34.850 34.850 34.277 0.573 19438 5753 1 8 . 1 1 2 2 LYS H H 2 8.620 8.620 8.372 0.248 19438 5754 1 8 . 1 1 3 3 TYR N N 3 114.840 114.840 119.961 -5.121 19438 5755 1 8 . 1 1 3 3 TYR HA H 3 5.252 5.252 4.965 0.287 19438 5756 1 8 . 1 1 3 3 TYR C C 3 174.920 174.920 174.814 0.106 19438 5757 1 8 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.493 -0.133 19438 5758 1 8 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.126 2.044 19438 5759 1 8 . 1 1 3 3 TYR H H 3 8.927 8.927 9.379 -0.452 19438 5760 1 8 . 1 1 4 4 ASP N N 4 119.790 119.790 122.228 -2.438 19438 5761 1 8 . 1 1 4 4 ASP HA H 4 5.479 5.479 4.956 0.523 19438 5762 1 8 . 1 1 4 4 ASP C C 4 175.780 175.780 175.209 0.571 19438 5763 1 8 . 1 1 4 4 ASP CA C 4 52.900 52.900 52.853 0.047 19438 5764 1 8 . 1 1 4 4 ASP CB C 4 43.970 43.970 43.463 0.507 19438 5765 1 8 . 1 1 4 4 ASP H H 4 9.170 9.170 9.273 -0.103 19438 5766 1 8 . 1 1 5 5 VAL N N 5 122.030 122.030 127.935 -5.905 19438 5767 1 8 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.383 0.339 19438 5768 1 8 . 1 1 5 5 VAL C C 5 174.520 174.520 174.757 -0.237 19438 5769 1 8 . 1 1 5 5 VAL CA C 5 62.100 62.100 62.443 -0.343 19438 5770 1 8 . 1 1 5 5 VAL CB C 5 31.720 31.720 32.187 -0.467 19438 5771 1 8 . 1 1 5 5 VAL H H 5 8.733 8.733 9.169 -0.436 19438 5772 1 8 . 1 1 6 6 VAL N N 6 128.380 128.380 128.971 -0.591 19438 5773 1 8 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.794 -0.148 19438 5774 1 8 . 1 1 6 6 VAL C C 6 174.330 174.330 174.403 -0.073 19438 5775 1 8 . 1 1 6 6 VAL CA C 6 61.750 61.750 60.708 1.042 19438 5776 1 8 . 1 1 6 6 VAL CB C 6 34.060 34.060 32.639 1.421 19438 5777 1 8 . 1 1 6 6 VAL H H 6 9.338 9.338 9.129 0.209 19438 5778 1 8 . 1 1 7 7 ILE N N 7 127.540 127.540 129.476 -1.936 19438 5779 1 8 . 1 1 7 7 ILE HA H 7 5.160 5.160 4.859 0.301 19438 5780 1 8 . 1 1 7 7 ILE C C 7 175.260 175.260 173.948 1.312 19438 5781 1 8 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.872 1.338 19438 5782 1 8 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.486 -0.386 19438 5783 1 8 . 1 1 7 7 ILE H H 7 9.295 9.295 9.077 0.218 19438 5784 1 8 . 1 1 8 8 ILE N N 8 126.500 126.500 129.834 -3.334 19438 5785 1 8 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.671 0.091 19438 5786 1 8 . 1 1 8 8 ILE CA C 8 58.790 58.790 56.555 2.235 19438 5787 1 8 . 1 1 8 8 ILE CB C 8 41.100 41.100 37.229 3.871 19438 5788 1 8 . 1 1 8 8 ILE H H 8 9.573 9.573 9.190 0.383 19438 5789 1 8 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.079 0.246 19438 5790 1 8 . 1 1 9 9 PRO C C 9 174.390 174.390 175.844 -1.454 19438 5791 1 8 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.572 -0.502 19438 5792 1 8 . 1 1 9 9 PRO CB C 9 31.600 31.600 32.734 -1.134 19438 5793 1 8 . 1 1 10 10 GLU N N 10 120.480 120.480 120.924 -0.444 19438 5794 1 8 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.803 -0.030 19438 5795 1 8 . 1 1 10 10 GLU C C 10 174.950 174.950 175.441 -0.491 19438 5796 1 8 . 1 1 10 10 GLU CA C 10 55.600 55.600 54.573 1.027 19438 5797 1 8 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.814 0.166 19438 5798 1 8 . 1 1 10 10 GLU H H 10 9.218 9.218 9.017 0.201 19438 5799 1 8 . 1 1 11 11 SER N N 11 117.470 117.470 115.647 1.823 19438 5800 1 8 . 1 1 11 11 SER HA H 11 4.686 4.686 4.678 0.008 19438 5801 1 8 . 1 1 11 11 SER C C 11 174.460 174.460 174.666 -0.206 19438 5802 1 8 . 1 1 11 11 SER CA C 11 57.490 57.490 57.514 -0.024 19438 5803 1 8 . 1 1 11 11 SER CB C 11 64.820 64.820 64.626 0.194 19438 5804 1 8 . 1 1 11 11 SER H H 11 8.595 8.595 8.710 -0.115 19438 5805 1 8 . 1 1 12 12 PHE N N 12 122.760 122.760 124.832 -2.072 19438 5806 1 8 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.333 0.338 19438 5807 1 8 . 1 1 12 12 PHE C C 12 175.440 175.440 173.204 2.236 19438 5808 1 8 . 1 1 12 12 PHE CA C 12 58.580 58.580 57.998 0.582 19438 5809 1 8 . 1 1 12 12 PHE CB C 12 39.940 39.940 38.111 1.829 19438 5810 1 8 . 1 1 12 12 PHE H H 12 8.298 8.298 8.003 0.295 19438 5811 1 8 . 1 1 13 13 HIS N N 13 120.600 120.600 122.366 -1.766 19438 5812 1 8 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.719 -0.104 19438 5813 1 8 . 1 1 13 13 HIS C C 13 174.530 174.530 173.789 0.741 19438 5814 1 8 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.334 0.276 19438 5815 1 8 . 1 1 13 13 HIS CB C 13 31.000 31.000 31.603 -0.603 19438 5816 1 8 . 1 1 13 13 HIS H H 13 8.243 8.243 7.789 0.454 19438 5817 1 8 . 1 1 14 14 ARG N N 14 122.290 122.290 124.444 -2.154 19438 5818 1 8 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.261 -0.042 19438 5819 1 8 . 1 1 14 14 ARG C C 14 176.070 176.070 175.835 0.235 19438 5820 1 8 . 1 1 14 14 ARG CA C 14 56.580 56.580 55.382 1.198 19438 5821 1 8 . 1 1 14 14 ARG CB C 14 30.790 30.790 31.517 -0.727 19438 5822 1 8 . 1 1 14 14 ARG H H 14 8.320 8.320 8.405 -0.085 19438 5823 1 8 . 1 1 15 15 PHE N N 15 120.220 120.220 120.501 -0.281 19438 5824 1 8 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.590 0.106 19438 5825 1 8 . 1 1 15 15 PHE C C 15 175.550 175.550 176.539 -0.989 19438 5826 1 8 . 1 1 15 15 PHE CA C 15 57.630 57.630 58.856 -1.226 19438 5827 1 8 . 1 1 15 15 PHE CB C 15 39.920 39.920 37.923 1.997 19438 5828 1 8 . 1 1 15 15 PHE H H 15 8.409 8.409 8.550 -0.141 19438 5829 1 8 . 1 1 16 16 ASP N N 16 121.370 121.370 126.470 -5.100 19438 5830 1 8 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.734 -0.183 19438 5831 1 8 . 1 1 16 16 ASP C C 16 176.590 176.590 177.584 -0.994 19438 5832 1 8 . 1 1 16 16 ASP CA C 16 54.180 54.180 53.973 0.207 19438 5833 1 8 . 1 1 16 16 ASP CB C 16 41.410 41.410 42.500 -1.090 19438 5834 1 8 . 1 1 16 16 ASP H H 16 8.397 8.397 8.093 0.304 19438 5835 1 8 . 1 1 17 17 LYS N N 17 119.880 119.880 118.862 1.018 19438 5836 1 8 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.209 -0.042 19438 5837 1 8 . 1 1 17 17 LYS C C 17 176.550 176.550 177.290 -0.740 19438 5838 1 8 . 1 1 17 17 LYS CA C 17 57.110 57.110 58.635 -1.525 19438 5839 1 8 . 1 1 17 17 LYS CB C 17 32.420 32.420 32.713 -0.293 19438 5840 1 8 . 1 1 17 17 LYS H H 17 8.188 8.188 8.451 -0.263 19438 5841 1 8 . 1 1 18 18 HIS N N 18 118.390 118.390 113.286 5.104 19438 5842 1 8 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.718 -0.068 19438 5843 1 8 . 1 1 18 18 HIS C C 18 175.020 175.020 174.944 0.076 19438 5844 1 8 . 1 1 18 18 HIS CA C 18 56.260 56.260 56.484 -0.224 19438 5845 1 8 . 1 1 18 18 HIS CB C 18 30.010 30.010 31.814 -1.804 19438 5846 1 8 . 1 1 18 18 HIS H H 18 8.339 8.339 8.323 0.016 19438 5847 1 8 . 1 1 19 19 ASN N N 19 118.700 118.700 119.653 -0.953 19438 5848 1 8 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.786 -0.114 19438 5849 1 8 . 1 1 19 19 ASN C C 19 175.170 175.170 174.066 1.104 19438 5850 1 8 . 1 1 19 19 ASN CA C 19 53.800 53.800 53.446 0.354 19438 5851 1 8 . 1 1 19 19 ASN CB C 19 38.730 38.730 37.071 1.659 19438 5852 1 8 . 1 1 19 19 ASN H H 19 8.287 8.287 8.622 -0.335 19438 5853 1 8 . 1 1 20 20 MET N N 20 120.140 120.140 118.639 1.501 19438 5854 1 8 . 1 1 20 20 MET HA H 20 4.475 4.475 4.558 -0.083 19438 5855 1 8 . 1 1 20 20 MET C C 20 176.470 176.470 173.208 3.262 19438 5856 1 8 . 1 1 20 20 MET CA C 20 55.640 55.640 55.745 -0.105 19438 5857 1 8 . 1 1 20 20 MET CB C 20 33.500 33.500 34.200 -0.700 19438 5858 1 8 . 1 1 20 20 MET H H 20 8.495 8.495 7.764 0.731 19438 5859 1 8 . 1 1 21 21 GLU N N 21 120.920 120.920 120.237 0.683 19438 5860 1 8 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.285 -0.084 19438 5861 1 8 . 1 1 21 21 GLU C C 21 176.380 176.380 173.820 2.560 19438 5862 1 8 . 1 1 21 21 GLU CA C 21 57.330 57.330 55.834 1.496 19438 5863 1 8 . 1 1 21 21 GLU CB C 21 30.080 30.080 32.044 -1.964 19438 5864 1 8 . 1 1 21 21 GLU H H 21 8.450 8.450 8.141 0.309 19438 5865 1 8 . 1 1 22 22 HIS N N 22 119.650 119.650 124.113 -4.463 19438 5866 1 8 . 1 1 22 22 HIS HA H 22 4.687 4.687 5.005 -0.318 19438 5867 1 8 . 1 1 22 22 HIS C C 22 174.470 174.470 173.027 1.443 19438 5868 1 8 . 1 1 22 22 HIS CA C 22 55.980 55.980 56.267 -0.287 19438 5869 1 8 . 1 1 22 22 HIS CB C 22 30.530 30.530 31.752 -1.222 19438 5870 1 8 . 1 1 22 22 HIS H H 22 8.334 8.334 8.714 -0.380 19438 5871 1 8 . 1 1 23 23 ILE N N 23 121.910 121.910 126.585 -4.675 19438 5872 1 8 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.207 -0.056 19438 5873 1 8 . 1 1 23 23 ILE C C 23 175.870 175.870 174.027 1.843 19438 5874 1 8 . 1 1 23 23 ILE CA C 23 61.170 61.170 58.850 2.320 19438 5875 1 8 . 1 1 23 23 ILE CB C 23 38.850 38.850 40.322 -1.472 19438 5876 1 8 . 1 1 23 23 ILE H H 23 7.782 7.782 7.917 -0.135 19438 5877 1 8 . 1 1 24 24 CYS N N 24 124.920 124.920 125.979 -1.059 19438 5878 1 8 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.728 0.066 19438 5879 1 8 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.520 -3.390 19438 5880 1 8 . 1 1 24 24 CYS CB C 24 42.470 42.470 28.107 14.363 19438 5881 1 8 . 1 1 24 24 CYS H H 24 8.697 8.697 8.176 0.521 19438 5882 1 8 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.791 -0.061 19438 5883 1 8 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.542 0.212 19438 5884 1 8 . 1 1 26 26 PRO C C 26 175.820 175.820 176.316 -0.496 19438 5885 1 8 . 1 1 26 26 PRO CA C 26 62.580 62.580 63.087 -0.507 19438 5886 1 8 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.608 -0.018 19438 5887 1 8 . 1 1 27 27 MET N N 27 120.580 120.580 122.948 -2.368 19438 5888 1 8 . 1 1 27 27 MET HA H 27 5.180 5.180 4.812 0.368 19438 5889 1 8 . 1 1 27 27 MET C C 27 174.810 174.810 175.127 -0.317 19438 5890 1 8 . 1 1 27 27 MET CA C 27 53.270 53.270 55.478 -2.208 19438 5891 1 8 . 1 1 27 27 MET CB C 27 34.580 34.580 34.521 0.059 19438 5892 1 8 . 1 1 27 27 MET H H 27 9.055 9.055 9.106 -0.051 19438 5893 1 8 . 1 1 28 28 VAL N N 28 122.030 122.030 123.705 -1.675 19438 5894 1 8 . 1 1 28 28 VAL HA H 28 5.093 5.093 4.772 0.321 19438 5895 1 8 . 1 1 28 28 VAL C C 28 175.710 175.710 174.622 1.088 19438 5896 1 8 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.158 -0.508 19438 5897 1 8 . 1 1 28 28 VAL CB C 28 35.470 35.470 32.815 2.655 19438 5898 1 8 . 1 1 28 28 VAL H H 28 8.575 8.575 8.066 0.509 19438 5899 1 8 . 1 1 29 29 ILE N N 29 129.440 129.440 127.064 2.376 19438 5900 1 8 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.405 -0.039 19438 5901 1 8 . 1 1 29 29 ILE C C 29 176.490 176.490 174.474 2.016 19438 5902 1 8 . 1 1 29 29 ILE CA C 29 61.260 61.260 60.198 1.062 19438 5903 1 8 . 1 1 29 29 ILE CB C 29 37.960 37.960 39.045 -1.085 19438 5904 1 8 . 1 1 29 29 ILE H H 29 9.200 9.200 9.102 0.098 19438 5905 1 8 . 1 1 30 30 GLY N N 30 112.580 112.580 112.112 0.468 19438 5906 1 8 . 1 1 30 30 GLY C C 30 175.350 175.350 173.177 2.173 19438 5907 1 8 . 1 1 30 30 GLY CA C 30 46.110 46.110 43.106 3.004 19438 5908 1 8 . 1 1 30 30 GLY H H 30 8.525 8.525 8.286 0.239 19438 5909 1 8 . 1 1 31 31 ASP N N 31 121.320 121.320 118.292 3.028 19438 5910 1 8 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.299 -0.196 19438 5911 1 8 . 1 1 31 31 ASP C C 31 175.530 175.530 175.628 -0.098 19438 5912 1 8 . 1 1 31 31 ASP CA C 31 55.530 55.530 55.470 0.060 19438 5913 1 8 . 1 1 31 31 ASP CB C 31 39.620 39.620 40.546 -0.926 19438 5914 1 8 . 1 1 31 31 ASP H H 31 9.133 9.133 8.579 0.553 19438 5915 1 8 . 1 1 32 32 ARG N N 32 117.600 117.600 119.156 -1.556 19438 5916 1 8 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.798 0.233 19438 5917 1 8 . 1 1 32 32 ARG C C 32 177.060 177.060 175.854 1.206 19438 5918 1 8 . 1 1 32 32 ARG CA C 32 52.790 52.790 53.283 -0.493 19438 5919 1 8 . 1 1 32 32 ARG CB C 32 34.650 34.650 32.703 1.947 19438 5920 1 8 . 1 1 32 32 ARG H H 32 9.529 9.529 7.800 1.729 19438 5921 1 8 . 1 1 33 33 SER N N 33 116.150 116.150 119.259 -3.109 19438 5922 1 8 . 1 1 33 33 SER HA H 33 4.819 4.819 4.866 -0.047 19438 5923 1 8 . 1 1 33 33 SER C C 33 174.290 174.290 175.403 -1.113 19438 5924 1 8 . 1 1 33 33 SER CA C 33 58.130 58.130 57.580 0.550 19438 5925 1 8 . 1 1 33 33 SER CB C 33 64.530 64.530 64.980 -0.450 19438 5926 1 8 . 1 1 33 33 SER H H 33 8.400 8.400 8.788 -0.388 19438 5927 1 8 . 1 1 34 34 TYR N N 34 122.110 122.110 121.865 0.245 19438 5928 1 8 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.573 -0.188 19438 5929 1 8 . 1 1 34 34 TYR C C 34 176.280 176.280 177.396 -1.116 19438 5930 1 8 . 1 1 34 34 TYR CA C 34 63.060 63.060 62.753 0.307 19438 5931 1 8 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.071 0.279 19438 5932 1 8 . 1 1 34 34 TYR H H 34 9.456 9.456 9.260 0.196 19438 5933 1 8 . 1 1 35 35 ASP N N 35 114.640 114.640 117.226 -2.586 19438 5934 1 8 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.336 -0.270 19438 5935 1 8 . 1 1 35 35 ASP C C 35 179.460 179.460 178.227 1.233 19438 5936 1 8 . 1 1 35 35 ASP CA C 35 57.380 57.380 57.626 -0.246 19438 5937 1 8 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.623 -0.784 19438 5938 1 8 . 1 1 35 35 ASP H H 35 8.611 8.611 8.805 -0.194 19438 5939 1 8 . 1 1 36 36 ILE N N 36 120.860 120.860 120.308 0.552 19438 5940 1 8 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.802 0.046 19438 5941 1 8 . 1 1 36 36 ILE C C 36 178.000 178.000 177.649 0.351 19438 5942 1 8 . 1 1 36 36 ILE CA C 36 62.660 62.660 64.049 -1.389 19438 5943 1 8 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.928 -1.228 19438 5944 1 8 . 1 1 36 36 ILE H H 36 7.298 7.298 7.491 -0.193 19438 5945 1 8 . 1 1 37 37 ALA N N 37 123.260 123.260 123.314 -0.054 19438 5946 1 8 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.936 -0.204 19438 5947 1 8 . 1 1 37 37 ALA C C 37 179.720 179.720 179.104 0.616 19438 5948 1 8 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.402 0.318 19438 5949 1 8 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.255 -0.275 19438 5950 1 8 . 1 1 37 37 ALA H H 37 8.906 8.906 8.668 0.238 19438 5951 1 8 . 1 1 38 38 MET N N 38 114.900 114.900 117.694 -2.794 19438 5952 1 8 . 1 1 38 38 MET HA H 38 4.282 4.282 4.014 0.268 19438 5953 1 8 . 1 1 38 38 MET C C 38 178.940 178.940 178.111 0.829 19438 5954 1 8 . 1 1 38 38 MET CA C 38 55.940 55.940 58.776 -2.836 19438 5955 1 8 . 1 1 38 38 MET CB C 38 29.570 29.570 32.570 -3.000 19438 5956 1 8 . 1 1 38 38 MET H H 38 8.237 8.237 8.119 0.118 19438 5957 1 8 . 1 1 39 39 GLU N N 39 120.020 120.020 119.735 0.285 19438 5958 1 8 . 1 1 39 39 GLU HA H 39 4.101 4.101 4.039 0.062 19438 5959 1 8 . 1 1 39 39 GLU C C 39 180.880 180.880 179.215 1.665 19438 5960 1 8 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.064 0.566 19438 5961 1 8 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.303 -0.254 19438 5962 1 8 . 1 1 39 39 GLU H H 39 7.517 7.517 7.906 -0.389 19438 5963 1 8 . 1 1 40 40 ILE N N 40 122.000 122.000 121.302 0.698 19438 5964 1 8 . 1 1 40 40 ILE HA H 40 3.710 3.710 3.932 -0.222 19438 5965 1 8 . 1 1 40 40 ILE C C 40 177.890 177.890 177.617 0.273 19438 5966 1 8 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.906 0.334 19438 5967 1 8 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.271 -1.371 19438 5968 1 8 . 1 1 40 40 ILE H H 40 8.220 8.220 8.412 -0.192 19438 5969 1 8 . 1 1 41 41 VAL N N 41 120.760 120.760 120.208 0.552 19438 5970 1 8 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.484 -0.098 19438 5971 1 8 . 1 1 41 41 VAL C C 41 179.090 179.090 177.498 1.592 19438 5972 1 8 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.208 0.652 19438 5973 1 8 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.506 -0.176 19438 5974 1 8 . 1 1 41 41 VAL H H 41 8.737 8.737 8.143 0.594 19438 5975 1 8 . 1 1 42 42 ASN N N 42 119.950 119.950 118.278 1.672 19438 5976 1 8 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.421 0.186 19438 5977 1 8 . 1 1 42 42 ASN C C 42 178.080 178.080 177.646 0.434 19438 5978 1 8 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.758 -0.878 19438 5979 1 8 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.123 -0.633 19438 5980 1 8 . 1 1 42 42 ASN H H 42 8.542 8.542 8.607 -0.065 19438 5981 1 8 . 1 1 43 43 GLY N N 43 112.070 112.070 108.165 3.905 19438 5982 1 8 . 1 1 43 43 GLY C C 43 176.070 176.070 176.409 -0.339 19438 5983 1 8 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.342 0.248 19438 5984 1 8 . 1 1 43 43 GLY H H 43 8.387 8.387 8.384 0.003 19438 5985 1 8 . 1 1 44 44 VAL N N 44 122.900 122.900 121.877 1.023 19438 5986 1 8 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.700 -0.173 19438 5987 1 8 . 1 1 44 44 VAL C C 44 176.700 176.700 177.378 -0.678 19438 5988 1 8 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.430 0.410 19438 5989 1 8 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.450 -0.200 19438 5990 1 8 . 1 1 44 44 VAL H H 44 9.078 9.078 7.896 1.182 19438 5991 1 8 . 1 1 45 45 ASP N N 45 119.070 119.070 120.244 -1.174 19438 5992 1 8 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.407 -0.215 19438 5993 1 8 . 1 1 45 45 ASP C C 45 176.540 176.540 178.481 -1.941 19438 5994 1 8 . 1 1 45 45 ASP CA C 45 58.490 58.490 58.319 0.171 19438 5995 1 8 . 1 1 45 45 ASP CB C 45 42.940 42.940 41.068 1.872 19438 5996 1 8 . 1 1 45 45 ASP H H 45 7.745 7.745 8.711 -0.966 19438 5997 1 8 . 1 1 46 46 ARG N N 46 115.750 115.750 119.957 -4.207 19438 5998 1 8 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.093 -0.099 19438 5999 1 8 . 1 1 46 46 ARG C C 46 179.760 179.760 178.938 0.822 19438 6000 1 8 . 1 1 46 46 ARG CA C 46 59.630 59.630 59.316 0.314 19438 6001 1 8 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.244 -0.054 19438 6002 1 8 . 1 1 46 46 ARG H H 46 7.557 7.557 8.128 -0.571 19438 6003 1 8 . 1 1 47 47 VAL N N 47 118.740 118.740 119.833 -1.093 19438 6004 1 8 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.759 0.153 19438 6005 1 8 . 1 1 47 47 VAL C C 47 179.150 179.150 178.218 0.932 19438 6006 1 8 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.420 -0.380 19438 6007 1 8 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.904 -0.134 19438 6008 1 8 . 1 1 47 47 VAL H H 47 8.187 8.187 7.620 0.567 19438 6009 1 8 . 1 1 48 48 ILE N N 48 122.340 122.340 120.267 2.073 19438 6010 1 8 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.648 0.049 19438 6011 1 8 . 1 1 48 48 ILE C C 48 178.130 178.130 178.058 0.072 19438 6012 1 8 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.619 1.021 19438 6013 1 8 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.413 -0.782 19438 6014 1 8 . 1 1 48 48 ILE H H 48 8.786 8.786 8.486 0.300 19438 6015 1 8 . 1 1 49 49 LYS N N 49 116.860 116.860 120.430 -3.570 19438 6016 1 8 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.175 -0.116 19438 6017 1 8 . 1 1 49 49 LYS C C 49 178.120 178.120 178.428 -0.308 19438 6018 1 8 . 1 1 49 49 LYS CA C 49 60.270 60.270 59.245 1.026 19438 6019 1 8 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.723 0.377 19438 6020 1 8 . 1 1 49 49 LYS H H 49 7.785 7.785 8.309 -0.524 19438 6021 1 8 . 1 1 50 50 ALA N N 50 117.520 117.520 121.444 -3.924 19438 6022 1 8 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.437 -0.081 19438 6023 1 8 . 1 1 50 50 ALA C C 50 179.940 179.940 179.261 0.679 19438 6024 1 8 . 1 1 50 50 ALA CA C 50 53.960 53.960 54.422 -0.462 19438 6025 1 8 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.152 0.207 19438 6026 1 8 . 1 1 50 50 ALA H H 50 7.740 7.740 8.103 -0.363 19438 6027 1 8 . 1 1 51 51 SER N N 51 111.860 111.860 113.479 -1.619 19438 6028 1 8 . 1 1 51 51 SER HA H 51 4.287 4.287 4.402 -0.115 19438 6029 1 8 . 1 1 51 51 SER C C 51 172.840 172.840 174.053 -1.213 19438 6030 1 8 . 1 1 51 51 SER CA C 51 60.610 60.610 60.834 -0.224 19438 6031 1 8 . 1 1 51 51 SER CB C 51 64.500 64.500 64.186 0.313 19438 6032 1 8 . 1 1 51 51 SER H H 51 7.957 7.957 8.437 -0.480 19438 6033 1 8 . 1 1 52 52 PHE N N 52 116.210 116.210 118.124 -1.914 19438 6034 1 8 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.597 0.180 19438 6035 1 8 . 1 1 52 52 PHE C C 52 174.210 174.210 174.468 -0.258 19438 6036 1 8 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.511 -0.221 19438 6037 1 8 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.820 0.760 19438 6038 1 8 . 1 1 52 52 PHE H H 52 7.901 7.901 7.901 0.000 19438 6039 1 8 . 1 1 53 53 ASN N N 53 117.890 117.890 120.812 -2.922 19438 6040 1 8 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.684 0.218 19438 6041 1 8 . 1 1 53 53 ASN C C 53 175.120 175.120 173.922 1.198 19438 6042 1 8 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.771 1.179 19438 6043 1 8 . 1 1 53 53 ASN CB C 53 37.550 37.550 37.907 -0.357 19438 6044 1 8 . 1 1 53 53 ASN H H 53 8.205 8.205 8.888 -0.683 19438 6045 1 8 . 1 1 54 54 ALA N N 54 125.300 125.300 127.731 -2.431 19438 6046 1 8 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.632 -0.191 19438 6047 1 8 . 1 1 54 54 ALA C C 54 176.800 176.800 176.500 0.300 19438 6048 1 8 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.172 1.388 19438 6049 1 8 . 1 1 54 54 ALA CB C 54 24.080 24.080 22.258 1.822 19438 6050 1 8 . 1 1 54 54 ALA H H 54 8.246 8.246 7.590 0.655 19438 6051 1 8 . 1 1 55 55 SER N N 55 115.850 115.850 118.808 -2.958 19438 6052 1 8 . 1 1 55 55 SER HA H 55 4.789 4.789 4.641 0.148 19438 6053 1 8 . 1 1 55 55 SER C C 55 172.830 172.830 173.956 -1.126 19438 6054 1 8 . 1 1 55 55 SER CA C 55 57.200 57.200 57.326 -0.126 19438 6055 1 8 . 1 1 55 55 SER CB C 55 65.460 65.460 64.305 1.155 19438 6056 1 8 . 1 1 55 55 SER H H 55 8.606 8.606 8.637 -0.031 19438 6057 1 8 . 1 1 56 56 VAL N N 56 121.700 121.700 126.458 -4.758 19438 6058 1 8 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.267 0.527 19438 6059 1 8 . 1 1 56 56 VAL C C 56 173.160 173.160 175.173 -2.013 19438 6060 1 8 . 1 1 56 56 VAL CA C 56 60.010 60.010 61.399 -1.389 19438 6061 1 8 . 1 1 56 56 VAL CB C 56 35.570 35.570 33.225 2.345 19438 6062 1 8 . 1 1 56 56 VAL H H 56 8.648 8.648 8.727 -0.079 19438 6063 1 8 . 1 1 57 57 GLU N N 57 126.130 126.130 130.066 -3.936 19438 6064 1 8 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.635 -0.123 19438 6065 1 8 . 1 1 57 57 GLU C C 57 174.090 174.090 174.993 -0.903 19438 6066 1 8 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.801 -0.251 19438 6067 1 8 . 1 1 57 57 GLU CB C 57 33.910 33.910 31.761 2.149 19438 6068 1 8 . 1 1 57 57 GLU H H 57 8.122 8.122 8.787 -0.665 19438 6069 1 8 . 1 1 58 58 GLU N N 58 124.740 124.740 124.561 0.179 19438 6070 1 8 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.364 0.324 19438 6071 1 8 . 1 1 58 58 GLU C C 58 175.410 175.410 175.449 -0.039 19438 6072 1 8 . 1 1 58 58 GLU CA C 58 55.990 55.990 55.780 0.210 19438 6073 1 8 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.114 0.216 19438 6074 1 8 . 1 1 58 58 GLU H H 58 8.610 8.610 8.684 -0.074 19438 6075 1 8 . 1 1 59 59 LEU N N 59 126.780 126.780 125.481 1.299 19438 6076 1 8 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.766 -0.055 19438 6077 1 8 . 1 1 59 59 LEU C C 59 175.970 175.970 176.081 -0.111 19438 6078 1 8 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.273 0.507 19438 6079 1 8 . 1 1 59 59 LEU CB C 59 45.320 45.320 45.334 -0.014 19438 6080 1 8 . 1 1 59 59 LEU H H 59 8.259 8.259 8.969 -0.710 19438 6081 1 8 . 1 1 60 60 GLU N N 60 119.810 119.810 118.951 0.859 19438 6082 1 8 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.461 -0.113 19438 6083 1 8 . 1 1 60 60 GLU C C 60 177.560 177.560 176.244 1.316 19438 6084 1 8 . 1 1 60 60 GLU CA C 60 57.340 57.340 55.121 2.219 19438 6085 1 8 . 1 1 60 60 GLU CB C 60 30.260 30.260 31.135 -0.875 19438 6086 1 8 . 1 1 60 60 GLU H H 60 8.258 8.258 8.438 -0.180 19438 6087 1 8 . 1 1 61 61 GLY N N 61 117.720 117.720 112.176 5.544 19438 6088 1 8 . 1 1 61 61 GLY C C 61 174.320 174.320 173.321 0.999 19438 6089 1 8 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.388 0.182 19438 6090 1 8 . 1 1 61 61 GLY H H 61 8.726 8.726 8.590 0.136 19438 6091 1 8 . 1 1 62 62 GLU N N 62 121.700 121.700 119.121 2.579 19438 6092 1 8 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.322 0.209 19438 6093 1 8 . 1 1 62 62 GLU C C 62 177.690 177.690 178.121 -0.431 19438 6094 1 8 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.061 -0.511 19438 6095 1 8 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.944 0.356 19438 6096 1 8 . 1 1 62 62 GLU H H 62 9.337 9.337 8.828 0.509 19438 6097 1 8 . 1 1 63 63 ASP N N 63 120.760 120.760 120.500 0.260 19438 6098 1 8 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.439 -0.109 19438 6099 1 8 . 1 1 63 63 ASP C C 63 178.080 178.080 176.706 1.374 19438 6100 1 8 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.201 0.729 19438 6101 1 8 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.819 -0.049 19438 6102 1 8 . 1 1 63 63 ASP H H 63 8.632 8.632 8.739 -0.107 19438 6103 1 8 . 1 1 64 64 CYS N N 64 113.520 113.520 116.339 -2.819 19438 6104 1 8 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.463 -0.031 19438 6105 1 8 . 1 1 64 64 CYS C C 64 173.700 173.700 174.020 -0.320 19438 6106 1 8 . 1 1 64 64 CYS CA C 64 57.170 57.170 58.226 -1.056 19438 6107 1 8 . 1 1 64 64 CYS CB C 64 41.210 41.210 26.517 14.693 19438 6108 1 8 . 1 1 64 64 CYS H H 64 7.962 7.962 8.143 -0.181 19438 6109 1 8 . 1 1 65 65 ASP N N 65 120.200 120.200 119.834 0.366 19438 6110 1 8 . 1 1 65 65 ASP HA H 65 5.190 5.190 5.224 -0.034 19438 6111 1 8 . 1 1 65 65 ASP C C 65 176.540 176.540 175.829 0.711 19438 6112 1 8 . 1 1 65 65 ASP CA C 65 54.310 54.310 53.808 0.502 19438 6113 1 8 . 1 1 65 65 ASP CB C 65 41.150 41.150 42.563 -1.413 19438 6114 1 8 . 1 1 65 65 ASP H H 65 7.936 7.936 7.714 0.222 19438 6115 1 8 . 1 1 66 66 VAL N N 66 122.070 122.070 118.551 3.519 19438 6116 1 8 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.353 -0.086 19438 6117 1 8 . 1 1 66 66 VAL C C 66 176.000 176.000 175.704 0.296 19438 6118 1 8 . 1 1 66 66 VAL CA C 66 63.190 63.190 62.633 0.557 19438 6119 1 8 . 1 1 66 66 VAL CB C 66 32.430 32.430 33.383 -0.953 19438 6120 1 8 . 1 1 66 66 VAL H H 66 9.431 9.431 9.059 0.372 19438 6121 1 8 . 1 1 67 67 LEU N N 67 119.700 119.700 119.494 0.206 19438 6122 1 8 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.695 -0.056 19438 6123 1 8 . 1 1 67 67 LEU C C 67 174.400 174.400 173.762 0.638 19438 6124 1 8 . 1 1 67 67 LEU CA C 67 55.100 55.100 55.196 -0.096 19438 6125 1 8 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.345 -0.325 19438 6126 1 8 . 1 1 67 67 LEU H H 67 7.625 7.625 7.430 0.195 19438 6127 1 8 . 1 1 68 68 TYR N N 68 126.330 126.330 126.408 -0.078 19438 6128 1 8 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.324 0.526 19438 6129 1 8 . 1 1 68 68 TYR C C 68 173.460 173.460 173.160 0.300 19438 6130 1 8 . 1 1 68 68 TYR CA C 68 54.660 54.660 56.122 -1.462 19438 6131 1 8 . 1 1 68 68 TYR CB C 68 38.140 38.140 40.972 -2.833 19438 6132 1 8 . 1 1 68 68 TYR H H 68 9.086 9.086 8.795 0.291 19438 6133 1 8 . 1 1 69 69 ARG N N 69 127.440 127.440 127.060 0.380 19438 6134 1 8 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.257 -0.397 19438 6135 1 8 . 1 1 69 69 ARG C C 69 173.030 173.030 174.345 -1.315 19438 6136 1 8 . 1 1 69 69 ARG CA C 69 54.430 54.430 53.999 0.431 19438 6137 1 8 . 1 1 69 69 ARG CB C 69 35.030 35.030 33.334 1.696 19438 6138 1 8 . 1 1 69 69 ARG H H 69 9.569 9.569 9.371 0.198 19438 6139 1 8 . 1 1 70 70 LYS N N 70 122.850 122.850 125.796 -2.946 19438 6140 1 8 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.502 -0.497 19438 6141 1 8 . 1 1 70 70 LYS C C 70 175.830 175.830 174.839 0.991 19438 6142 1 8 . 1 1 70 70 LYS CA C 70 54.690 54.690 54.557 0.133 19438 6143 1 8 . 1 1 70 70 LYS CB C 70 36.040 36.040 36.177 -0.137 19438 6144 1 8 . 1 1 70 70 LYS H H 70 8.612 8.612 9.005 -0.393 19438 6145 1 8 . 1 1 71 71 TYR N N 71 129.420 129.420 126.024 3.396 19438 6146 1 8 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.473 -0.171 19438 6147 1 8 . 1 1 71 71 TYR C C 71 175.710 175.710 175.876 -0.166 19438 6148 1 8 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.050 0.910 19438 6149 1 8 . 1 1 71 71 TYR CB C 71 40.330 40.330 40.928 -0.598 19438 6150 1 8 . 1 1 71 71 TYR H H 71 9.762 9.762 9.417 0.345 19438 6151 1 8 . 1 1 72 72 THR N N 72 119.820 119.820 121.169 -1.349 19438 6152 1 8 . 1 1 72 72 THR HA H 72 4.707 4.707 4.788 -0.081 19438 6153 1 8 . 1 1 72 72 THR C C 72 173.860 173.860 173.540 0.320 19438 6154 1 8 . 1 1 72 72 THR CA C 72 63.250 63.250 62.485 0.765 19438 6155 1 8 . 1 1 72 72 THR CB C 72 69.370 69.370 68.998 0.372 19438 6156 1 8 . 1 1 72 72 THR H H 72 8.845 8.845 9.107 -0.262 19438 6157 1 8 . 1 1 73 73 LEU N N 73 125.420 125.420 128.395 -2.975 19438 6158 1 8 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.113 0.016 19438 6159 1 8 . 1 1 73 73 LEU C C 73 175.760 175.760 175.333 0.427 19438 6160 1 8 . 1 1 73 73 LEU CA C 73 54.080 54.080 54.254 -0.174 19438 6161 1 8 . 1 1 73 73 LEU CB C 73 45.350 45.350 44.472 0.878 19438 6162 1 8 . 1 1 73 73 LEU H H 73 8.929 8.929 9.306 -0.377 19438 6163 1 8 . 1 1 74 74 GLU N N 74 120.090 120.090 123.136 -3.046 19438 6164 1 8 . 1 1 74 74 GLU HA H 74 5.214 5.214 4.883 0.331 19438 6165 1 8 . 1 1 74 74 GLU C C 74 175.400 175.400 174.884 0.516 19438 6166 1 8 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.490 0.250 19438 6167 1 8 . 1 1 74 74 GLU CB C 74 33.040 33.040 31.835 1.205 19438 6168 1 8 . 1 1 74 74 GLU H H 74 8.311 8.311 9.011 -0.700 19438 6169 1 8 . 1 1 75 75 LYS N N 75 124.230 124.230 126.428 -2.198 19438 6170 1 8 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.391 0.082 19438 6171 1 8 . 1 1 75 75 LYS C C 75 175.380 175.380 176.453 -1.073 19438 6172 1 8 . 1 1 75 75 LYS CA C 75 57.060 57.060 55.574 1.486 19438 6173 1 8 . 1 1 75 75 LYS CB C 75 35.740 35.740 32.682 3.058 19438 6174 1 8 . 1 1 75 75 LYS H H 75 8.691 8.691 8.788 -0.097 19438 6175 1 8 . 1 1 76 76 GLU N N 76 127.760 127.760 124.192 3.568 19438 6176 1 8 . 1 1 76 76 GLU HA H 76 3.903 3.903 4.013 -0.110 19438 6177 1 8 . 1 1 76 76 GLU C C 76 176.190 176.190 176.087 0.103 19438 6178 1 8 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.258 0.192 19438 6179 1 8 . 1 1 76 76 GLU CB C 76 27.830 27.830 28.019 -0.189 19438 6180 1 8 . 1 1 76 76 GLU H H 76 9.556 9.556 9.246 0.310 19438 6181 1 8 . 1 1 77 77 GLY N N 77 106.560 106.560 102.819 3.741 19438 6182 1 8 . 1 1 77 77 GLY C C 77 174.320 174.320 174.038 0.282 19438 6183 1 8 . 1 1 77 77 GLY CA C 77 45.640 45.640 44.824 0.816 19438 6184 1 8 . 1 1 77 77 GLY H H 77 8.928 8.928 8.093 0.835 19438 6185 1 8 . 1 1 78 78 LYS N N 78 121.600 121.600 123.749 -2.149 19438 6186 1 8 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.449 0.136 19438 6187 1 8 . 1 1 78 78 LYS C C 78 175.240 175.240 175.426 -0.186 19438 6188 1 8 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.504 -0.124 19438 6189 1 8 . 1 1 78 78 LYS CB C 78 33.490 33.490 32.723 0.767 19438 6190 1 8 . 1 1 78 78 LYS H H 78 8.015 8.015 8.036 -0.021 19438 6191 1 8 . 1 1 79 79 LYS N N 79 120.990 120.990 123.994 -3.004 19438 6192 1 8 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.140 0.059 19438 6193 1 8 . 1 1 79 79 LYS C C 79 176.150 176.150 176.266 -0.116 19438 6194 1 8 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.036 1.034 19438 6195 1 8 . 1 1 79 79 LYS CB C 79 35.080 35.080 34.204 0.876 19438 6196 1 8 . 1 1 79 79 LYS H H 79 8.438 8.438 8.169 0.269 19438 6197 1 8 . 1 1 80 80 GLY N N 80 107.840 107.840 109.872 -2.032 19438 6198 1 8 . 1 1 80 80 GLY C C 80 170.430 170.430 171.818 -1.388 19438 6199 1 8 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.551 -0.291 19438 6200 1 8 . 1 1 80 80 GLY H H 80 8.391 8.391 8.984 -0.593 19438 6201 1 8 . 1 1 81 81 ILE N N 81 120.670 120.670 120.107 0.563 19438 6202 1 8 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.043 0.239 19438 6203 1 8 . 1 1 81 81 ILE C C 81 175.210 175.210 174.065 1.145 19438 6204 1 8 . 1 1 81 81 ILE CA C 81 58.640 58.640 58.838 -0.198 19438 6205 1 8 . 1 1 81 81 ILE CB C 81 42.420 42.420 41.067 1.353 19438 6206 1 8 . 1 1 81 81 ILE H H 81 8.623 8.623 8.716 -0.093 19438 6207 1 8 . 1 1 82 82 VAL N N 82 121.970 121.970 125.645 -3.675 19438 6208 1 8 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.744 -0.030 19438 6209 1 8 . 1 1 82 82 VAL C C 82 174.230 174.230 174.679 -0.449 19438 6210 1 8 . 1 1 82 82 VAL CA C 82 61.010 61.010 60.524 0.486 19438 6211 1 8 . 1 1 82 82 VAL CB C 82 35.260 35.260 33.974 1.286 19438 6212 1 8 . 1 1 82 82 VAL H H 82 8.967 8.967 9.178 -0.211 19438 6213 1 8 . 1 1 83 83 HIS N N 83 129.690 129.690 127.368 2.322 19438 6214 1 8 . 1 1 83 83 HIS HA H 83 5.219 5.219 5.078 0.141 19438 6215 1 8 . 1 1 83 83 HIS C C 83 174.960 174.960 174.118 0.842 19438 6216 1 8 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.802 0.638 19438 6217 1 8 . 1 1 83 83 HIS CB C 83 32.240 32.240 30.586 1.654 19438 6218 1 8 . 1 1 83 83 HIS H H 83 8.960 8.960 9.424 -0.464 19438 6219 1 8 . 1 1 84 84 VAL N N 84 125.620 125.620 127.024 -1.404 19438 6220 1 8 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.374 0.752 19438 6221 1 8 . 1 1 84 84 VAL C C 84 174.590 174.590 174.284 0.306 19438 6222 1 8 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.776 0.454 19438 6223 1 8 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.218 1.802 19438 6224 1 8 . 1 1 84 84 VAL H H 84 9.834 9.834 9.238 0.596 19438 6225 1 8 . 1 1 85 85 LYS N N 85 125.370 125.370 126.795 -1.425 19438 6226 1 8 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.324 0.140 19438 6227 1 8 . 1 1 85 85 LYS C C 85 174.890 174.890 175.234 -0.344 19438 6228 1 8 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.499 0.711 19438 6229 1 8 . 1 1 85 85 LYS CB C 85 36.430 36.430 35.601 0.829 19438 6230 1 8 . 1 1 85 85 LYS H H 85 9.517 9.517 8.906 0.611 19438 6231 1 8 . 1 1 86 86 LEU N N 86 123.830 123.830 124.097 -0.267 19438 6232 1 8 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.680 0.467 19438 6233 1 8 . 1 1 86 86 LEU C C 86 174.760 174.760 176.193 -1.433 19438 6234 1 8 . 1 1 86 86 LEU CA C 86 54.210 54.210 54.057 0.153 19438 6235 1 8 . 1 1 86 86 LEU CB C 86 44.830 44.830 43.079 1.751 19438 6236 1 8 . 1 1 86 86 LEU H H 86 8.400 8.400 9.086 -0.686 19438 6237 1 8 . 1 1 87 87 ARG N N 87 128.610 128.610 123.665 4.945 19438 6238 1 8 . 1 1 87 87 ARG HA H 87 5.473 5.473 5.119 0.354 19438 6239 1 8 . 1 1 87 87 ARG C C 87 176.130 176.130 175.863 0.267 19438 6240 1 8 . 1 1 87 87 ARG CA C 87 54.970 54.970 53.106 1.864 19438 6241 1 8 . 1 1 87 87 ARG CB C 87 34.230 34.230 32.406 1.824 19438 6242 1 8 . 1 1 87 87 ARG H H 87 9.647 9.647 9.425 0.222 19438 6243 1 8 . 1 1 88 88 LYS N N 88 122.810 122.810 123.397 -0.587 19438 6244 1 8 . 1 1 88 88 LYS HA H 88 4.138 4.138 4.428 -0.290 19438 6245 1 8 . 1 1 88 88 LYS C C 88 174.890 174.890 175.626 -0.736 19438 6246 1 8 . 1 1 88 88 LYS CA C 88 56.330 56.330 55.064 1.266 19438 6247 1 8 . 1 1 88 88 LYS CB C 88 34.310 34.310 32.032 2.278 19438 6248 1 8 . 1 1 88 88 LYS H H 88 8.510 8.510 8.515 -0.005 19438 6249 1 8 . 1 1 89 89 ILE N N 89 120.880 120.880 129.763 -8.883 19438 6250 1 8 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.436 0.195 19438 6251 1 8 . 1 1 89 89 ILE C C 89 176.400 176.400 174.728 1.672 19438 6252 1 8 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.174 -0.504 19438 6253 1 8 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.869 -1.149 19438 6254 1 8 . 1 1 89 89 ILE H H 89 7.470 7.470 8.282 -0.812 19438 6255 1 8 . 1 1 90 90 THR N N 90 116.610 116.610 122.536 -5.926 19438 6256 1 8 . 1 1 90 90 THR HA H 90 4.700 4.700 4.581 0.119 19438 6257 1 8 . 1 1 90 90 THR CA C 90 59.100 59.100 60.168 -1.068 19438 6258 1 8 . 1 1 90 90 THR CB C 90 72.600 72.600 70.874 1.726 19438 6259 1 8 . 1 1 90 90 THR H H 90 7.701 7.701 8.373 -0.672 19438 6260 1 8 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.232 -0.202 19438 6261 1 8 . 1 1 91 91 GLU C C 91 177.100 177.100 176.533 0.567 19438 6262 1 8 . 1 1 91 91 GLU CA C 91 59.640 59.640 58.586 1.054 19438 6263 1 8 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.184 -0.134 19438 6264 1 8 . 1 1 92 92 ASN N N 92 113.650 113.650 115.755 -2.105 19438 6265 1 8 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.704 -0.004 19438 6266 1 8 . 1 1 92 92 ASN C C 92 174.100 174.100 174.279 -0.179 19438 6267 1 8 . 1 1 92 92 ASN CA C 92 53.490 53.490 52.244 1.246 19438 6268 1 8 . 1 1 92 92 ASN CB C 92 39.270 39.270 38.653 0.617 19438 6269 1 8 . 1 1 92 92 ASN H H 92 7.915 7.915 8.153 -0.238 19438 6270 1 8 . 1 1 93 93 CYS N N 93 120.190 120.190 121.487 -1.297 19438 6271 1 8 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.930 0.146 19438 6272 1 8 . 1 1 93 93 CYS CA C 93 52.610 52.610 56.472 -3.862 19438 6273 1 8 . 1 1 93 93 CYS CB C 93 42.090 42.090 28.148 13.943 19438 6274 1 8 . 1 1 93 93 CYS H H 93 7.514 7.514 7.550 -0.036 19438 6275 1 8 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.879 -0.089 19438 6276 1 8 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.517 -0.017 19438 6277 1 8 . 1 1 95 95 PRO C C 95 177.770 177.770 176.270 1.500 19438 6278 1 8 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.251 0.489 19438 6279 1 8 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.976 -0.876 19438 6280 1 8 . 1 1 96 96 VAL N N 96 123.600 123.600 119.433 4.167 19438 6281 1 8 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.212 -0.265 19438 6282 1 8 . 1 1 96 96 VAL C C 96 175.780 175.780 175.350 0.430 19438 6283 1 8 . 1 1 96 96 VAL CA C 96 62.100 62.100 61.548 0.552 19438 6284 1 8 . 1 1 96 96 VAL CB C 96 32.580 32.580 32.668 -0.088 19438 6285 1 8 . 1 1 96 96 VAL H H 96 9.071 9.071 8.159 0.912 19438 6286 1 8 . 1 1 97 97 ASP N N 97 125.400 125.400 121.050 4.350 19438 6287 1 8 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.821 -0.151 19438 6288 1 8 . 1 1 97 97 ASP C C 97 175.410 175.410 174.919 0.491 19438 6289 1 8 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.022 0.988 19438 6290 1 8 . 1 1 97 97 ASP CB C 97 41.580 41.580 42.707 -1.127 19438 6291 1 8 . 1 1 97 97 ASP H H 97 8.313 8.313 8.360 -0.047 19438 6292 1 8 . 1 1 98 98 GLY N N 98 108.310 108.310 109.155 -0.845 19438 6293 1 8 . 1 1 98 98 GLY C C 98 173.140 173.140 173.522 -0.382 19438 6294 1 8 . 1 1 98 98 GLY CA C 98 45.270 45.270 44.664 0.606 19438 6295 1 8 . 1 1 98 98 GLY H H 98 7.838 7.838 8.155 -0.317 19438 6296 1 8 . 1 1 99 99 ASN N N 99 120.050 120.050 120.742 -0.692 19438 6297 1 8 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.578 0.604 19438 6298 1 8 . 1 1 99 99 ASN C C 99 174.700 174.700 175.232 -0.532 19438 6299 1 8 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.482 -0.362 19438 6300 1 8 . 1 1 99 99 ASN CB C 99 39.360 39.360 39.023 0.338 19438 6301 1 8 . 1 1 99 99 ASN H H 99 8.685 8.685 8.676 0.009 19438 6302 1 8 . 1 1 100 100 ARG N N 100 121.100 121.100 124.113 -3.013 19438 6303 1 8 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.276 0.633 19438 6304 1 8 . 1 1 100 100 ARG C C 100 176.930 176.930 175.627 1.303 19438 6305 1 8 . 1 1 100 100 ARG CA C 100 55.810 55.810 56.305 -0.495 19438 6306 1 8 . 1 1 100 100 ARG CB C 100 31.710 31.710 29.679 2.031 19438 6307 1 8 . 1 1 100 100 ARG H H 100 8.502 8.502 8.453 0.049 19438 6308 1 8 . 1 1 101 101 CYS N N 101 121.180 121.180 126.420 -5.240 19438 6309 1 8 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.465 0.241 19438 6310 1 8 . 1 1 101 101 CYS CA C 101 55.270 55.270 57.761 -2.491 19438 6311 1 8 . 1 1 101 101 CYS H H 101 8.607 8.607 8.322 0.285 19438 6312 1 8 . 1 1 102 102 SER HA H 102 4.565 4.565 4.476 0.089 19438 6313 1 8 . 1 1 102 102 SER C C 102 174.220 174.220 173.027 1.193 19438 6314 1 8 . 1 1 102 102 SER CA C 102 57.900 57.900 58.931 -1.031 19438 6315 1 8 . 1 1 102 102 SER CB C 102 63.700 63.700 62.118 1.581 19438 6316 1 8 . 1 1 103 103 VAL N N 103 122.910 122.910 124.075 -1.165 19438 6317 1 8 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.624 -0.402 19438 6318 1 8 . 1 1 103 103 VAL C C 103 175.070 175.070 175.239 -0.169 19438 6319 1 8 . 1 1 103 103 VAL CA C 103 62.440 62.440 60.866 1.574 19438 6320 1 8 . 1 1 103 103 VAL H H 103 8.332 8.332 8.174 0.158 19438 6321 1 8 . 1 1 104 104 LEU N N 104 125.940 125.940 122.942 2.998 19438 6322 1 8 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.561 -0.148 19438 6323 1 8 . 1 1 104 104 LEU C C 104 177.220 177.220 175.327 1.893 19438 6324 1 8 . 1 1 104 104 LEU CA C 104 55.930 55.930 55.960 -0.030 19438 6325 1 8 . 1 1 104 104 LEU CB C 104 42.890 42.890 43.545 -0.655 19438 6326 1 8 . 1 1 104 104 LEU H H 104 8.831 8.831 9.867 -1.036 19438 6327 1 8 . 1 1 105 105 GLU N N 105 120.540 120.540 117.787 2.753 19438 6328 1 8 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.654 -0.243 19438 6329 1 8 . 1 1 105 105 GLU C C 105 175.400 175.400 176.096 -0.696 19438 6330 1 8 . 1 1 105 105 GLU CA C 105 55.890 55.890 55.090 0.800 19438 6331 1 8 . 1 1 105 105 GLU CB C 105 30.460 30.460 32.738 -2.278 19438 6332 1 8 . 1 1 105 105 GLU H H 105 8.070 8.070 7.991 0.079 19438 6333 1 8 . 1 1 106 106 PHE N N 106 124.060 124.060 127.389 -3.329 19438 6334 1 8 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.011 0.050 19438 6335 1 8 . 1 1 106 106 PHE C C 106 175.880 175.880 176.361 -0.481 19438 6336 1 8 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.742 0.378 19438 6337 1 8 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.506 0.164 19438 6338 1 8 . 1 1 106 106 PHE H H 106 8.666 8.666 9.015 -0.349 19438 6339 1 8 . 1 1 107 107 GLU N N 107 117.290 117.290 118.496 -1.206 19438 6340 1 8 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.729 0.157 19438 6341 1 8 . 1 1 107 107 GLU C C 107 178.050 178.050 178.883 -0.833 19438 6342 1 8 . 1 1 107 107 GLU CA C 107 59.360 59.360 59.383 -0.023 19438 6343 1 8 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.300 0.030 19438 6344 1 8 . 1 1 107 107 GLU H H 107 8.932 8.932 7.999 0.933 19438 6345 1 8 . 1 1 108 108 ARG N N 108 117.240 117.240 118.536 -1.296 19438 6346 1 8 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.409 -0.101 19438 6347 1 8 . 1 1 108 108 ARG C C 108 177.930 177.930 178.051 -0.121 19438 6348 1 8 . 1 1 108 108 ARG CA C 108 57.120 57.120 57.333 -0.213 19438 6349 1 8 . 1 1 108 108 ARG CB C 108 31.110 31.110 29.913 1.197 19438 6350 1 8 . 1 1 108 108 ARG H H 108 7.533 7.533 7.704 -0.171 19438 6351 1 8 . 1 1 109 109 ASP N N 109 120.040 120.040 122.022 -1.982 19438 6352 1 8 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.493 0.107 19438 6353 1 8 . 1 1 109 109 ASP C C 109 177.980 177.980 178.615 -0.635 19438 6354 1 8 . 1 1 109 109 ASP CA C 109 56.810 56.810 57.674 -0.864 19438 6355 1 8 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.473 1.027 19438 6356 1 8 . 1 1 109 109 ASP H H 109 8.295 8.295 7.615 0.680 19438 6357 1 8 . 1 1 110 110 ILE N N 110 118.710 118.710 120.374 -1.664 19438 6358 1 8 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.419 0.375 19438 6359 1 8 . 1 1 110 110 ILE C C 110 176.740 176.740 176.973 -0.233 19438 6360 1 8 . 1 1 110 110 ILE CA C 110 61.850 61.850 64.670 -2.820 19438 6361 1 8 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.505 -0.475 19438 6362 1 8 . 1 1 110 110 ILE H H 110 8.081 8.081 8.242 -0.161 19438 6363 1 8 . 1 1 111 111 GLU N N 111 121.140 121.140 120.012 1.128 19438 6364 1 8 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.804 0.158 19438 6365 1 8 . 1 1 111 111 GLU C C 111 177.400 177.400 178.621 -1.221 19438 6366 1 8 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.766 -0.166 19438 6367 1 8 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.256 0.043 19438 6368 1 8 . 1 1 111 111 GLU H H 111 7.558 7.558 7.555 0.003 19438 6369 1 8 . 1 1 112 112 CYS N N 112 117.380 117.380 119.250 -1.870 19438 6370 1 8 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.156 -0.053 19438 6371 1 8 . 1 1 112 112 CYS C C 112 176.570 176.570 177.059 -0.489 19438 6372 1 8 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.197 -2.908 19438 6373 1 8 . 1 1 112 112 CYS CB C 112 41.910 41.910 25.934 15.976 19438 6374 1 8 . 1 1 112 112 CYS H H 112 7.739 7.739 8.150 -0.411 19438 6375 1 8 . 1 1 113 113 ILE N N 113 118.520 118.520 121.084 -2.564 19438 6376 1 8 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.726 0.107 19438 6377 1 8 . 1 1 113 113 ILE C C 113 177.220 177.220 178.287 -1.067 19438 6378 1 8 . 1 1 113 113 ILE CA C 113 63.410 63.410 65.273 -1.863 19438 6379 1 8 . 1 1 113 113 ILE CB C 113 37.430 37.430 38.033 -0.604 19438 6380 1 8 . 1 1 113 113 ILE H H 113 7.682 7.682 7.980 -0.298 19438 6381 1 8 . 1 1 114 114 VAL N N 114 120.390 120.390 120.620 -0.230 19438 6382 1 8 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.523 -0.055 19438 6383 1 8 . 1 1 114 114 VAL C C 114 177.970 177.970 177.671 0.299 19438 6384 1 8 . 1 1 114 114 VAL CA C 114 67.960 67.960 67.288 0.672 19438 6385 1 8 . 1 1 114 114 VAL CB C 114 31.730 31.730 31.328 0.403 19438 6386 1 8 . 1 1 114 114 VAL H H 114 7.765 7.765 8.353 -0.588 19438 6387 1 8 . 1 1 115 115 LYS N N 115 118.840 118.840 119.075 -0.235 19438 6388 1 8 . 1 1 115 115 LYS HA H 115 4.129 4.129 4.040 0.089 19438 6389 1 8 . 1 1 115 115 LYS C C 115 178.870 178.870 178.494 0.376 19438 6390 1 8 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.351 -0.051 19438 6391 1 8 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.102 -0.192 19438 6392 1 8 . 1 1 115 115 LYS H H 115 8.314 8.314 8.538 -0.224 19438 6393 1 8 . 1 1 116 116 ALA N N 116 121.000 121.000 122.983 -1.983 19438 6394 1 8 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.243 -0.017 19438 6395 1 8 . 1 1 116 116 ALA C C 116 181.600 181.600 179.355 2.245 19438 6396 1 8 . 1 1 116 116 ALA CA C 116 55.320 55.320 54.725 0.595 19438 6397 1 8 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.389 0.261 19438 6398 1 8 . 1 1 116 116 ALA H H 116 7.427 7.427 7.652 -0.226 19438 6399 1 8 . 1 1 117 117 ILE N N 117 120.090 120.090 119.764 0.326 19438 6400 1 8 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.464 -0.151 19438 6401 1 8 . 1 1 117 117 ILE C C 117 177.630 177.630 177.697 -0.067 19438 6402 1 8 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.958 0.552 19438 6403 1 8 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.589 0.271 19438 6404 1 8 . 1 1 117 117 ILE H H 117 8.121 8.121 8.110 0.011 19438 6405 1 8 . 1 1 118 118 GLU N N 118 119.300 119.300 119.169 0.131 19438 6406 1 8 . 1 1 118 118 GLU HA H 118 3.886 3.886 4.041 -0.155 19438 6407 1 8 . 1 1 118 118 GLU C C 118 179.850 179.850 179.657 0.193 19438 6408 1 8 . 1 1 118 118 GLU CA C 118 60.760 60.760 60.040 0.720 19438 6409 1 8 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.101 0.549 19438 6410 1 8 . 1 1 118 118 GLU H H 118 8.657 8.657 8.502 0.155 19438 6411 1 8 . 1 1 119 119 GLU N N 119 119.080 119.080 119.883 -0.803 19438 6412 1 8 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.166 -0.098 19438 6413 1 8 . 1 1 119 119 GLU C C 119 178.670 178.670 178.828 -0.158 19438 6414 1 8 . 1 1 119 119 GLU CA C 119 59.390 59.390 58.996 0.394 19438 6415 1 8 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.343 0.377 19438 6416 1 8 . 1 1 119 119 GLU H H 119 8.596 8.596 7.823 0.773 19438 6417 1 8 . 1 1 120 120 CYS N N 120 117.950 117.950 120.564 -2.614 19438 6418 1 8 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.375 0.067 19438 6419 1 8 . 1 1 120 120 CYS C C 120 177.280 177.280 177.547 -0.267 19438 6420 1 8 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.260 -3.780 19438 6421 1 8 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.229 13.191 19438 6422 1 8 . 1 1 120 120 CYS H H 120 7.686 7.686 8.070 -0.384 19438 6423 1 8 . 1 1 121 121 LEU N N 121 118.000 118.000 118.778 -0.778 19438 6424 1 8 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.283 -0.262 19438 6425 1 8 . 1 1 121 121 LEU C C 121 179.010 179.010 178.694 0.316 19438 6426 1 8 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.212 0.458 19438 6427 1 8 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.924 -0.544 19438 6428 1 8 . 1 1 121 121 LEU H H 121 8.194 8.194 8.515 -0.321 19438 6429 1 8 . 1 1 122 122 ALA N N 122 119.940 119.940 120.608 -0.668 19438 6430 1 8 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.248 -0.022 19438 6431 1 8 . 1 1 122 122 ALA C C 122 179.040 179.040 179.598 -0.558 19438 6432 1 8 . 1 1 122 122 ALA CA C 122 54.160 54.160 54.379 -0.219 19438 6433 1 8 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.835 0.045 19438 6434 1 8 . 1 1 122 122 ALA H H 122 7.974 7.974 7.621 0.353 19438 6435 1 8 . 1 1 123 123 LYS N N 123 117.940 117.940 117.949 -0.009 19438 6436 1 8 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.088 0.103 19438 6437 1 8 . 1 1 123 123 LYS C C 123 177.770 177.770 177.950 -0.180 19438 6438 1 8 . 1 1 123 123 LYS CA C 123 57.710 57.710 56.445 1.265 19438 6439 1 8 . 1 1 123 123 LYS CB C 123 32.570 32.570 32.442 0.128 19438 6440 1 8 . 1 1 123 123 LYS H H 123 7.774 7.774 7.998 -0.224 19438 6441 1 8 . 1 1 124 124 GLY N N 124 107.510 107.510 108.637 -1.127 19438 6442 1 8 . 1 1 124 124 GLY C C 124 174.290 174.290 172.956 1.334 19438 6443 1 8 . 1 1 124 124 GLY CA C 124 46.060 46.060 44.960 1.100 19438 6444 1 8 . 1 1 124 124 GLY H H 124 8.084 8.084 7.643 0.441 19438 6445 1 8 . 1 1 125 125 GLU N N 125 120.170 120.170 120.064 0.106 19438 6446 1 8 . 1 1 125 125 GLU HA H 125 4.318 4.318 3.467 0.851 19438 6447 1 8 . 1 1 125 125 GLU C C 125 176.940 176.940 176.207 0.733 19438 6448 1 8 . 1 1 125 125 GLU CA C 125 56.780 56.780 56.082 0.698 19438 6449 1 8 . 1 1 125 125 GLU CB C 125 30.760 30.760 29.383 1.377 19438 6450 1 8 . 1 1 125 125 GLU H H 125 7.997 7.997 8.020 -0.023 19438 6451 1 8 . 1 1 126 126 LEU N N 126 122.210 122.210 123.987 -1.777 19438 6452 1 8 . 1 1 126 126 LEU HA H 126 4.310 4.310 3.818 0.492 19438 6453 1 8 . 1 1 126 126 LEU C C 126 177.320 177.320 174.870 2.450 19438 6454 1 8 . 1 1 126 126 LEU CA C 126 55.940 55.940 55.416 0.524 19438 6455 1 8 . 1 1 126 126 LEU CB C 126 42.540 42.540 41.276 1.264 19438 6456 1 8 . 1 1 126 126 LEU H H 126 8.218 8.218 8.545 -0.327 19438 6457 1 8 . 1 1 127 127 ASN N N 127 119.250 119.250 120.821 -1.571 19438 6458 1 8 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.800 -0.106 19438 6459 1 8 . 1 1 127 127 ASN C C 127 175.720 175.720 173.868 1.852 19438 6460 1 8 . 1 1 127 127 ASN CA C 127 53.930 53.930 52.006 1.924 19438 6461 1 8 . 1 1 127 127 ASN CB C 127 38.970 38.970 41.087 -2.118 19438 6462 1 8 . 1 1 127 127 ASN H H 127 8.445 8.445 8.153 0.292 19438 6463 1 8 . 1 1 128 128 SER N N 128 116.060 116.060 117.036 -0.976 19438 6464 1 8 . 1 1 128 128 SER HA H 128 4.373 4.373 4.243 0.130 19438 6465 1 8 . 1 1 128 128 SER C C 128 174.830 174.830 173.326 1.504 19438 6466 1 8 . 1 1 128 128 SER CA C 128 59.120 59.120 60.197 -1.077 19438 6467 1 8 . 1 1 128 128 SER CB C 128 63.830 63.830 63.081 0.749 19438 6468 1 8 . 1 1 128 128 SER H H 128 8.182 8.182 8.721 -0.539 19438 6469 1 8 . 1 1 129 129 LYS N N 129 122.520 122.520 122.516 0.004 19438 6470 1 8 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.704 -0.346 19438 6471 1 8 . 1 1 129 129 LYS C C 129 176.750 176.750 175.134 1.616 19438 6472 1 8 . 1 1 129 129 LYS CA C 129 56.710 56.710 55.913 0.797 19438 6473 1 8 . 1 1 129 129 LYS CB C 129 32.760 32.760 34.938 -2.178 19438 6474 1 8 . 1 1 129 129 LYS H H 129 8.154 8.154 8.402 -0.248 19438 6475 1 8 . 1 1 130 130 LEU N N 130 122.340 122.340 121.003 1.337 19438 6476 1 8 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.553 -0.225 19438 6477 1 8 . 1 1 130 130 LEU C C 130 177.430 177.430 175.083 2.347 19438 6478 1 8 . 1 1 130 130 LEU CA C 130 57.430 57.430 55.531 1.899 19438 6479 1 8 . 1 1 130 130 LEU CB C 130 42.380 42.380 42.528 -0.148 19438 6480 1 8 . 1 1 130 130 LEU H H 130 8.070 8.070 8.407 -0.337 19438 6481 1 8 . 1 1 131 131 GLU N N 131 121.450 121.450 117.140 4.310 19438 6482 1 8 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.999 -0.704 19438 6483 1 8 . 1 1 131 131 GLU C C 131 176.920 176.920 174.685 2.235 19438 6484 1 8 . 1 1 131 131 GLU CA C 131 56.690 56.690 55.433 1.257 19438 6485 1 8 . 1 1 131 131 GLU CB C 131 30.380 30.380 31.681 -1.301 19438 6486 1 8 . 1 1 131 131 GLU H H 131 8.250 8.250 8.205 0.045 19438 6487 1 8 . 1 1 132 132 GLY N N 132 109.900 109.900 108.590 1.310 19438 6488 1 8 . 1 1 132 132 GLY C C 132 173.770 173.770 172.822 0.948 19438 6489 1 8 . 1 1 132 132 GLY CA C 132 45.290 45.290 44.754 0.536 19438 6490 1 8 . 1 1 132 132 GLY H H 132 8.334 8.334 8.256 0.078 19438 6491 1 8 . 1 1 133 133 LYS N N 133 121.920 121.920 121.601 0.319 19438 6492 1 8 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.685 -0.021 19438 6493 1 8 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.378 0.772 19438 6494 1 8 . 1 1 133 133 LYS CB C 133 32.710 32.710 34.044 -1.334 19438 6495 1 8 . 1 1 133 133 LYS H H 133 8.037 8.037 8.558 -0.521 19438 6496 1 8 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.768 -0.317 19438 6497 1 8 . 1 1 134 134 PRO C C 134 176.670 176.670 176.023 0.647 19438 6498 1 8 . 1 1 134 134 PRO CA C 134 62.940 62.940 62.717 0.223 19438 6499 1 8 . 1 1 134 134 PRO CB C 134 31.890 31.890 31.618 0.272 19438 6500 1 8 . 1 1 135 135 ILE N N 135 122.710 122.710 126.648 -3.938 19438 6501 1 8 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.540 -0.112 19438 6502 1 8 . 1 1 135 135 ILE CA C 135 58.770 58.770 57.433 1.337 19438 6503 1 8 . 1 1 135 135 ILE CB C 135 38.640 38.640 39.446 -0.806 19438 6504 1 8 . 1 1 135 135 ILE H H 135 8.227 8.227 8.092 0.135 19438 6505 1 8 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.700 -0.328 19438 6506 1 8 . 1 1 136 136 PRO C C 136 176.330 176.330 175.509 0.821 19438 6507 1 8 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.231 1.019 19438 6508 1 8 . 1 1 136 136 PRO CB C 136 32.010 32.010 33.107 -1.097 19438 6509 1 8 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.907 0.034 19438 6510 1 8 . 1 1 137 137 ASN CA C 137 51.270 51.270 51.639 -0.368 19438 6511 1 8 . 1 1 137 137 ASN CB C 137 38.670 38.670 39.556 -0.886 19438 6512 1 8 . 1 1 137 137 ASN H H 137 8.383 8.383 8.182 0.201 19438 6513 1 8 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.475 -0.071 19438 6514 1 8 . 1 1 138 138 PRO C C 138 177.210 177.210 176.002 1.208 19438 6515 1 8 . 1 1 138 138 PRO CA C 138 63.310 63.310 63.114 0.196 19438 6516 1 8 . 1 1 138 138 PRO CB C 138 32.100 32.100 31.887 0.213 19438 6517 1 8 . 1 1 139 139 LEU N N 139 119.860 119.860 116.630 3.230 19438 6518 1 8 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.066 0.235 19438 6519 1 8 . 1 1 139 139 LEU C C 139 177.640 177.640 175.617 2.023 19438 6520 1 8 . 1 1 139 139 LEU CA C 139 55.610 55.610 54.783 0.827 19438 6521 1 8 . 1 1 139 139 LEU CB C 139 41.540 41.540 42.717 -1.177 19438 6522 1 8 . 1 1 139 139 LEU H H 139 8.096 8.096 7.624 0.472 19438 6523 1 8 . 1 1 140 140 LEU N N 140 121.040 121.040 123.512 -2.472 19438 6524 1 8 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.481 -0.166 19438 6525 1 8 . 1 1 140 140 LEU C C 140 177.840 177.840 176.563 1.277 19438 6526 1 8 . 1 1 140 140 LEU CA C 140 55.370 55.370 55.010 0.360 19438 6527 1 8 . 1 1 140 140 LEU CB C 140 42.390 42.390 42.336 0.054 19438 6528 1 8 . 1 1 140 140 LEU H H 140 7.749 7.749 8.276 -0.527 19438 6529 1 8 . 1 1 141 141 GLY N N 141 108.960 108.960 116.213 -7.253 19438 6530 1 8 . 1 1 141 141 GLY C C 141 174.380 174.380 173.712 0.668 19438 6531 1 8 . 1 1 141 141 GLY CA C 141 45.650 45.650 44.964 0.686 19438 6532 1 8 . 1 1 141 141 GLY H H 141 8.231 8.231 8.672 -0.441 19438 6533 1 8 . 1 1 142 142 LEU N N 142 121.470 121.470 126.139 -4.669 19438 6534 1 8 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.633 -0.297 19438 6535 1 8 . 1 1 142 142 LEU C C 142 177.390 177.390 175.808 1.582 19438 6536 1 8 . 1 1 142 142 LEU CA C 142 55.630 55.630 54.343 1.287 19438 6537 1 8 . 1 1 142 142 LEU CB C 142 42.600 42.600 42.720 -0.120 19438 6538 1 8 . 1 1 142 142 LEU H H 142 8.004 8.004 7.762 0.242 19438 6539 1 8 . 1 1 143 143 ASP N N 143 120.770 120.770 124.646 -3.876 19438 6540 1 8 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.766 -0.093 19438 6541 1 8 . 1 1 143 143 ASP C C 143 176.870 176.870 175.528 1.342 19438 6542 1 8 . 1 1 143 143 ASP CA C 143 54.400 54.400 53.396 1.004 19438 6543 1 8 . 1 1 143 143 ASP CB C 143 41.170 41.170 42.103 -0.933 19438 6544 1 8 . 1 1 143 143 ASP H H 143 8.380 8.380 8.414 -0.034 19438 6545 1 8 . 1 1 144 144 SER N N 144 116.820 116.820 116.216 0.604 19438 6546 1 8 . 1 1 144 144 SER HA H 144 4.413 4.413 4.627 -0.214 19438 6547 1 8 . 1 1 144 144 SER C C 144 175.300 175.300 174.102 1.198 19438 6548 1 8 . 1 1 144 144 SER CA C 144 59.190 59.190 57.781 1.409 19438 6549 1 8 . 1 1 144 144 SER CB C 144 63.770 63.770 63.792 -0.022 19438 6550 1 8 . 1 1 144 144 SER H H 144 8.298 8.298 8.479 -0.181 19438 6551 1 8 . 1 1 145 145 THR N N 145 114.870 114.870 121.462 -6.592 19438 6552 1 8 . 1 1 145 145 THR HA H 145 4.419 4.419 4.372 0.047 19438 6553 1 8 . 1 1 145 145 THR C C 145 175.070 175.070 173.617 1.453 19438 6554 1 8 . 1 1 145 145 THR CA C 145 62.880 62.880 62.134 0.746 19438 6555 1 8 . 1 1 145 145 THR CB C 145 69.710 69.710 69.117 0.593 19438 6556 1 8 . 1 1 145 145 THR H H 145 8.208 8.208 8.567 -0.359 19438 6557 1 8 . 1 1 146 146 ARG N N 146 122.450 122.450 127.244 -4.794 19438 6558 1 8 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.637 -0.255 19438 6559 1 8 . 1 1 146 146 ARG C C 146 176.570 176.570 176.147 0.423 19438 6560 1 8 . 1 1 146 146 ARG CA C 146 56.350 56.350 55.500 0.850 19438 6561 1 8 . 1 1 146 146 ARG CB C 146 30.620 30.620 31.694 -1.074 19438 6562 1 8 . 1 1 146 146 ARG H H 146 8.122 8.122 8.090 0.032 19438 6563 1 8 . 1 1 147 147 THR N N 147 113.830 113.830 121.755 -7.925 19438 6564 1 8 . 1 1 147 147 THR HA H 147 4.400 4.400 4.408 -0.008 19438 6565 1 8 . 1 1 147 147 THR C C 147 175.200 175.200 174.436 0.764 19438 6566 1 8 . 1 1 147 147 THR CA C 147 62.110 62.110 62.543 -0.433 19438 6567 1 8 . 1 1 147 147 THR CB C 147 69.950 69.950 68.087 1.863 19438 6568 1 8 . 1 1 147 147 THR H H 147 8.039 8.039 8.664 -0.625 19438 6569 1 9 . 1 1 2 2 LYS N N 2 124.740 124.740 120.546 4.194 19438 6570 1 9 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.928 -0.118 19438 6571 1 9 . 1 1 2 2 LYS C C 2 173.640 173.640 174.667 -1.027 19438 6572 1 9 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.880 -1.921 19438 6573 1 9 . 1 1 2 2 LYS CB C 2 34.850 34.850 34.994 -0.144 19438 6574 1 9 . 1 1 2 2 LYS H H 2 8.620 8.620 8.404 0.216 19438 6575 1 9 . 1 1 3 3 TYR N N 3 114.840 114.840 123.252 -8.412 19438 6576 1 9 . 1 1 3 3 TYR HA H 3 5.252 5.252 4.988 0.264 19438 6577 1 9 . 1 1 3 3 TYR C C 3 174.920 174.920 174.343 0.577 19438 6578 1 9 . 1 1 3 3 TYR CA C 3 57.360 57.360 56.899 0.461 19438 6579 1 9 . 1 1 3 3 TYR CB C 3 43.170 43.170 42.609 0.561 19438 6580 1 9 . 1 1 3 3 TYR H H 3 8.927 8.927 9.508 -0.581 19438 6581 1 9 . 1 1 4 4 ASP N N 4 119.790 119.790 121.000 -1.210 19438 6582 1 9 . 1 1 4 4 ASP HA H 4 5.479 5.479 4.977 0.502 19438 6583 1 9 . 1 1 4 4 ASP C C 4 175.780 175.780 174.512 1.268 19438 6584 1 9 . 1 1 4 4 ASP CA C 4 52.900 52.900 53.205 -0.305 19438 6585 1 9 . 1 1 4 4 ASP CB C 4 43.970 43.970 43.744 0.226 19438 6586 1 9 . 1 1 4 4 ASP H H 4 9.170 9.170 9.189 -0.019 19438 6587 1 9 . 1 1 5 5 VAL N N 5 122.030 122.030 127.620 -5.590 19438 6588 1 9 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.872 -0.150 19438 6589 1 9 . 1 1 5 5 VAL C C 5 174.520 174.520 173.250 1.270 19438 6590 1 9 . 1 1 5 5 VAL CA C 5 62.100 62.100 60.590 1.510 19438 6591 1 9 . 1 1 5 5 VAL CB C 5 31.720 31.720 34.037 -2.317 19438 6592 1 9 . 1 1 5 5 VAL H H 5 8.733 8.733 8.660 0.073 19438 6593 1 9 . 1 1 6 6 VAL N N 6 128.380 128.380 130.393 -2.013 19438 6594 1 9 . 1 1 6 6 VAL HA H 6 4.646 4.646 5.010 -0.364 19438 6595 1 9 . 1 1 6 6 VAL C C 6 174.330 174.330 173.395 0.935 19438 6596 1 9 . 1 1 6 6 VAL CA C 6 61.750 61.750 59.948 1.802 19438 6597 1 9 . 1 1 6 6 VAL CB C 6 34.060 34.060 34.433 -0.373 19438 6598 1 9 . 1 1 6 6 VAL H H 6 9.338 9.338 8.896 0.442 19438 6599 1 9 . 1 1 7 7 ILE N N 7 127.540 127.540 130.464 -2.924 19438 6600 1 9 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.294 -0.134 19438 6601 1 9 . 1 1 7 7 ILE C C 7 175.260 175.260 173.667 1.593 19438 6602 1 9 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.301 1.909 19438 6603 1 9 . 1 1 7 7 ILE CB C 7 40.100 40.100 41.190 -1.090 19438 6604 1 9 . 1 1 7 7 ILE H H 7 9.295 9.295 9.046 0.249 19438 6605 1 9 . 1 1 8 8 ILE N N 8 126.500 126.500 124.910 1.590 19438 6606 1 9 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.904 -0.142 19438 6607 1 9 . 1 1 8 8 ILE CA C 8 58.790 58.790 57.721 1.069 19438 6608 1 9 . 1 1 8 8 ILE CB C 8 41.100 41.100 39.004 2.096 19438 6609 1 9 . 1 1 8 8 ILE H H 8 9.573 9.573 9.141 0.432 19438 6610 1 9 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.301 0.024 19438 6611 1 9 . 1 1 9 9 PRO C C 9 174.390 174.390 175.965 -1.575 19438 6612 1 9 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.688 -0.618 19438 6613 1 9 . 1 1 9 9 PRO CB C 9 31.600 31.600 32.903 -1.303 19438 6614 1 9 . 1 1 10 10 GLU N N 10 120.480 120.480 120.221 0.259 19438 6615 1 9 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.837 -0.064 19438 6616 1 9 . 1 1 10 10 GLU C C 10 174.950 174.950 175.061 -0.111 19438 6617 1 9 . 1 1 10 10 GLU CA C 10 55.600 55.600 55.083 0.517 19438 6618 1 9 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.830 0.150 19438 6619 1 9 . 1 1 10 10 GLU H H 10 9.218 9.218 9.384 -0.166 19438 6620 1 9 . 1 1 11 11 SER N N 11 117.470 117.470 116.843 0.627 19438 6621 1 9 . 1 1 11 11 SER HA H 11 4.686 4.686 4.744 -0.058 19438 6622 1 9 . 1 1 11 11 SER C C 11 174.460 174.460 174.632 -0.172 19438 6623 1 9 . 1 1 11 11 SER CA C 11 57.490 57.490 56.866 0.624 19438 6624 1 9 . 1 1 11 11 SER CB C 11 64.820 64.820 64.946 -0.126 19438 6625 1 9 . 1 1 11 11 SER H H 11 8.595 8.595 8.901 -0.306 19438 6626 1 9 . 1 1 12 12 PHE N N 12 122.760 122.760 119.780 2.980 19438 6627 1 9 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.643 0.028 19438 6628 1 9 . 1 1 12 12 PHE C C 12 175.440 175.440 174.249 1.191 19438 6629 1 9 . 1 1 12 12 PHE CA C 12 58.580 58.580 55.986 2.594 19438 6630 1 9 . 1 1 12 12 PHE CB C 12 39.940 39.940 37.607 2.333 19438 6631 1 9 . 1 1 12 12 PHE H H 12 8.298 8.298 7.830 0.468 19438 6632 1 9 . 1 1 13 13 HIS N N 13 120.600 120.600 124.436 -3.836 19438 6633 1 9 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.814 -0.199 19438 6634 1 9 . 1 1 13 13 HIS C C 13 174.530 174.530 174.460 0.070 19438 6635 1 9 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.264 0.346 19438 6636 1 9 . 1 1 13 13 HIS CB C 13 31.000 31.000 31.812 -0.812 19438 6637 1 9 . 1 1 13 13 HIS H H 13 8.243 8.243 8.150 0.093 19438 6638 1 9 . 1 1 14 14 ARG N N 14 122.290 122.290 126.807 -4.517 19438 6639 1 9 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.361 -0.142 19438 6640 1 9 . 1 1 14 14 ARG C C 14 176.070 176.070 175.256 0.814 19438 6641 1 9 . 1 1 14 14 ARG CA C 14 56.580 56.580 56.033 0.547 19438 6642 1 9 . 1 1 14 14 ARG CB C 14 30.790 30.790 30.247 0.543 19438 6643 1 9 . 1 1 14 14 ARG H H 14 8.320 8.320 8.743 -0.423 19438 6644 1 9 . 1 1 15 15 PHE N N 15 120.220 120.220 129.173 -8.953 19438 6645 1 9 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.719 -0.023 19438 6646 1 9 . 1 1 15 15 PHE C C 15 175.550 175.550 174.955 0.595 19438 6647 1 9 . 1 1 15 15 PHE CA C 15 57.630 57.630 59.283 -1.653 19438 6648 1 9 . 1 1 15 15 PHE CB C 15 39.920 39.920 38.981 0.939 19438 6649 1 9 . 1 1 15 15 PHE H H 15 8.409 8.409 8.850 -0.441 19438 6650 1 9 . 1 1 16 16 ASP N N 16 121.370 121.370 127.888 -6.518 19438 6651 1 9 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.447 0.104 19438 6652 1 9 . 1 1 16 16 ASP C C 16 176.590 176.590 175.902 0.688 19438 6653 1 9 . 1 1 16 16 ASP CA C 16 54.180 54.180 55.503 -1.323 19438 6654 1 9 . 1 1 16 16 ASP CB C 16 41.410 41.410 42.331 -0.921 19438 6655 1 9 . 1 1 16 16 ASP H H 16 8.397 8.397 8.297 0.100 19438 6656 1 9 . 1 1 17 17 LYS N N 17 119.880 119.880 117.560 2.320 19438 6657 1 9 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.005 0.162 19438 6658 1 9 . 1 1 17 17 LYS C C 17 176.550 176.550 177.105 -0.555 19438 6659 1 9 . 1 1 17 17 LYS CA C 17 57.110 57.110 57.636 -0.526 19438 6660 1 9 . 1 1 17 17 LYS CB C 17 32.420 32.420 33.284 -0.864 19438 6661 1 9 . 1 1 17 17 LYS H H 17 8.188 8.188 8.180 0.008 19438 6662 1 9 . 1 1 18 18 HIS N N 18 118.390 118.390 116.198 2.192 19438 6663 1 9 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.730 -0.080 19438 6664 1 9 . 1 1 18 18 HIS C C 18 175.020 175.020 174.107 0.913 19438 6665 1 9 . 1 1 18 18 HIS CA C 18 56.260 56.260 56.043 0.217 19438 6666 1 9 . 1 1 18 18 HIS CB C 18 30.010 30.010 31.827 -1.817 19438 6667 1 9 . 1 1 18 18 HIS H H 18 8.339 8.339 8.436 -0.097 19438 6668 1 9 . 1 1 19 19 ASN N N 19 118.700 118.700 117.554 1.146 19438 6669 1 9 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.773 -0.101 19438 6670 1 9 . 1 1 19 19 ASN C C 19 175.170 175.170 174.059 1.111 19438 6671 1 9 . 1 1 19 19 ASN CA C 19 53.800 53.800 53.096 0.704 19438 6672 1 9 . 1 1 19 19 ASN CB C 19 38.730 38.730 40.517 -1.787 19438 6673 1 9 . 1 1 19 19 ASN H H 19 8.287 8.287 8.019 0.268 19438 6674 1 9 . 1 1 20 20 MET N N 20 120.140 120.140 115.226 4.914 19438 6675 1 9 . 1 1 20 20 MET HA H 20 4.475 4.475 3.958 0.517 19438 6676 1 9 . 1 1 20 20 MET C C 20 176.470 176.470 173.795 2.675 19438 6677 1 9 . 1 1 20 20 MET CA C 20 55.640 55.640 56.314 -0.674 19438 6678 1 9 . 1 1 20 20 MET CB C 20 33.500 33.500 30.323 3.177 19438 6679 1 9 . 1 1 20 20 MET H H 20 8.495 8.495 9.000 -0.505 19438 6680 1 9 . 1 1 21 21 GLU N N 21 120.920 120.920 117.712 3.208 19438 6681 1 9 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.941 -0.740 19438 6682 1 9 . 1 1 21 21 GLU C C 21 176.380 176.380 174.127 2.253 19438 6683 1 9 . 1 1 21 21 GLU CA C 21 57.330 57.330 55.861 1.469 19438 6684 1 9 . 1 1 21 21 GLU CB C 21 30.080 30.080 32.608 -2.528 19438 6685 1 9 . 1 1 21 21 GLU H H 21 8.450 8.450 8.367 0.083 19438 6686 1 9 . 1 1 22 22 HIS N N 22 119.650 119.650 126.681 -7.031 19438 6687 1 9 . 1 1 22 22 HIS HA H 22 4.687 4.687 5.308 -0.621 19438 6688 1 9 . 1 1 22 22 HIS C C 22 174.470 174.470 173.441 1.029 19438 6689 1 9 . 1 1 22 22 HIS CA C 22 55.980 55.980 54.849 1.131 19438 6690 1 9 . 1 1 22 22 HIS CB C 22 30.530 30.530 30.953 -0.423 19438 6691 1 9 . 1 1 22 22 HIS H H 22 8.334 8.334 8.940 -0.606 19438 6692 1 9 . 1 1 23 23 ILE N N 23 121.910 121.910 126.424 -4.514 19438 6693 1 9 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.331 -0.180 19438 6694 1 9 . 1 1 23 23 ILE C C 23 175.870 175.870 174.967 0.903 19438 6695 1 9 . 1 1 23 23 ILE CA C 23 61.170 61.170 58.530 2.640 19438 6696 1 9 . 1 1 23 23 ILE CB C 23 38.850 38.850 39.663 -0.813 19438 6697 1 9 . 1 1 23 23 ILE H H 23 7.782 7.782 8.558 -0.776 19438 6698 1 9 . 1 1 24 24 CYS N N 24 124.920 124.920 126.863 -1.943 19438 6699 1 9 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.700 0.094 19438 6700 1 9 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.349 -3.219 19438 6701 1 9 . 1 1 24 24 CYS CB C 24 42.470 42.470 28.345 14.125 19438 6702 1 9 . 1 1 24 24 CYS H H 24 8.697 8.697 8.225 0.472 19438 6703 1 9 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.370 0.360 19438 6704 1 9 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.435 0.319 19438 6705 1 9 . 1 1 26 26 PRO C C 26 175.820 175.820 176.429 -0.609 19438 6706 1 9 . 1 1 26 26 PRO CA C 26 62.580 62.580 63.213 -0.633 19438 6707 1 9 . 1 1 26 26 PRO CB C 26 32.590 32.590 31.960 0.630 19438 6708 1 9 . 1 1 27 27 MET N N 27 120.580 120.580 121.341 -0.761 19438 6709 1 9 . 1 1 27 27 MET HA H 27 5.180 5.180 5.381 -0.201 19438 6710 1 9 . 1 1 27 27 MET C C 27 174.810 174.810 174.455 0.355 19438 6711 1 9 . 1 1 27 27 MET CA C 27 53.270 53.270 54.623 -1.353 19438 6712 1 9 . 1 1 27 27 MET CB C 27 34.580 34.580 36.173 -1.593 19438 6713 1 9 . 1 1 27 27 MET H H 27 9.055 9.055 8.877 0.178 19438 6714 1 9 . 1 1 28 28 VAL N N 28 122.030 122.030 121.403 0.627 19438 6715 1 9 . 1 1 28 28 VAL HA H 28 5.093 5.093 5.180 -0.087 19438 6716 1 9 . 1 1 28 28 VAL C C 28 175.710 175.710 174.636 1.074 19438 6717 1 9 . 1 1 28 28 VAL CA C 28 60.650 60.650 60.920 -0.270 19438 6718 1 9 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.832 0.638 19438 6719 1 9 . 1 1 28 28 VAL H H 28 8.575 8.575 8.984 -0.409 19438 6720 1 9 . 1 1 29 29 ILE N N 29 129.440 129.440 126.526 2.914 19438 6721 1 9 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.451 -0.085 19438 6722 1 9 . 1 1 29 29 ILE C C 29 176.490 176.490 174.369 2.121 19438 6723 1 9 . 1 1 29 29 ILE CA C 29 61.260 61.260 59.606 1.654 19438 6724 1 9 . 1 1 29 29 ILE CB C 29 37.960 37.960 38.900 -0.940 19438 6725 1 9 . 1 1 29 29 ILE H H 29 9.200 9.200 9.008 0.192 19438 6726 1 9 . 1 1 30 30 GLY N N 30 112.580 112.580 114.648 -2.068 19438 6727 1 9 . 1 1 30 30 GLY C C 30 175.350 175.350 173.093 2.257 19438 6728 1 9 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.692 1.418 19438 6729 1 9 . 1 1 30 30 GLY H H 30 8.525 8.525 8.730 -0.205 19438 6730 1 9 . 1 1 31 31 ASP N N 31 121.320 121.320 121.193 0.127 19438 6731 1 9 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.675 -0.572 19438 6732 1 9 . 1 1 31 31 ASP C C 31 175.530 175.530 175.154 0.376 19438 6733 1 9 . 1 1 31 31 ASP CA C 31 55.530 55.530 53.819 1.711 19438 6734 1 9 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.439 -1.819 19438 6735 1 9 . 1 1 31 31 ASP H H 31 9.133 9.133 7.969 1.164 19438 6736 1 9 . 1 1 32 32 ARG N N 32 117.600 117.600 120.792 -3.192 19438 6737 1 9 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.919 0.112 19438 6738 1 9 . 1 1 32 32 ARG C C 32 177.060 177.060 175.676 1.384 19438 6739 1 9 . 1 1 32 32 ARG CA C 32 52.790 52.790 53.971 -1.181 19438 6740 1 9 . 1 1 32 32 ARG CB C 32 34.650 34.650 32.689 1.961 19438 6741 1 9 . 1 1 32 32 ARG H H 32 9.529 9.529 7.901 1.628 19438 6742 1 9 . 1 1 33 33 SER N N 33 116.150 116.150 118.648 -2.498 19438 6743 1 9 . 1 1 33 33 SER HA H 33 4.819 4.819 5.079 -0.260 19438 6744 1 9 . 1 1 33 33 SER C C 33 174.290 174.290 175.674 -1.384 19438 6745 1 9 . 1 1 33 33 SER CA C 33 58.130 58.130 57.096 1.034 19438 6746 1 9 . 1 1 33 33 SER CB C 33 64.530 64.530 64.740 -0.210 19438 6747 1 9 . 1 1 33 33 SER H H 33 8.400 8.400 8.774 -0.374 19438 6748 1 9 . 1 1 34 34 TYR N N 34 122.110 122.110 122.937 -0.827 19438 6749 1 9 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.506 -0.121 19438 6750 1 9 . 1 1 34 34 TYR C C 34 176.280 176.280 176.828 -0.548 19438 6751 1 9 . 1 1 34 34 TYR CA C 34 63.060 63.060 62.990 0.070 19438 6752 1 9 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.169 0.181 19438 6753 1 9 . 1 1 34 34 TYR H H 34 9.456 9.456 9.150 0.306 19438 6754 1 9 . 1 1 35 35 ASP N N 35 114.640 114.640 119.382 -4.742 19438 6755 1 9 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.160 -0.094 19438 6756 1 9 . 1 1 35 35 ASP C C 35 179.460 179.460 178.407 1.053 19438 6757 1 9 . 1 1 35 35 ASP CA C 35 57.380 57.380 58.380 -1.000 19438 6758 1 9 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.320 -0.480 19438 6759 1 9 . 1 1 35 35 ASP H H 35 8.611 8.611 8.424 0.187 19438 6760 1 9 . 1 1 36 36 ILE N N 36 120.860 120.860 120.003 0.857 19438 6761 1 9 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.689 0.159 19438 6762 1 9 . 1 1 36 36 ILE C C 36 178.000 178.000 177.644 0.356 19438 6763 1 9 . 1 1 36 36 ILE CA C 36 62.660 62.660 64.535 -1.875 19438 6764 1 9 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.816 -1.116 19438 6765 1 9 . 1 1 36 36 ILE H H 36 7.298 7.298 7.240 0.058 19438 6766 1 9 . 1 1 37 37 ALA N N 37 123.260 123.260 122.890 0.370 19438 6767 1 9 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.986 -0.254 19438 6768 1 9 . 1 1 37 37 ALA C C 37 179.720 179.720 179.300 0.420 19438 6769 1 9 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.169 0.551 19438 6770 1 9 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.168 -0.188 19438 6771 1 9 . 1 1 37 37 ALA H H 37 8.906 8.906 8.482 0.424 19438 6772 1 9 . 1 1 38 38 MET N N 38 114.900 114.900 118.928 -4.028 19438 6773 1 9 . 1 1 38 38 MET HA H 38 4.282 4.282 3.982 0.300 19438 6774 1 9 . 1 1 38 38 MET C C 38 178.940 178.940 177.881 1.059 19438 6775 1 9 . 1 1 38 38 MET CA C 38 55.940 55.940 57.372 -1.432 19438 6776 1 9 . 1 1 38 38 MET CB C 38 29.570 29.570 31.960 -2.390 19438 6777 1 9 . 1 1 38 38 MET H H 38 8.237 8.237 8.041 0.196 19438 6778 1 9 . 1 1 39 39 GLU N N 39 120.020 120.020 119.948 0.072 19438 6779 1 9 . 1 1 39 39 GLU HA H 39 4.101 4.101 3.926 0.175 19438 6780 1 9 . 1 1 39 39 GLU C C 39 180.880 180.880 179.344 1.536 19438 6781 1 9 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.299 0.331 19438 6782 1 9 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.511 -0.461 19438 6783 1 9 . 1 1 39 39 GLU H H 39 7.517 7.517 8.013 -0.496 19438 6784 1 9 . 1 1 40 40 ILE N N 40 122.000 122.000 120.936 1.064 19438 6785 1 9 . 1 1 40 40 ILE HA H 40 3.710 3.710 3.851 -0.141 19438 6786 1 9 . 1 1 40 40 ILE C C 40 177.890 177.890 177.460 0.430 19438 6787 1 9 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.810 0.430 19438 6788 1 9 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.256 -1.356 19438 6789 1 9 . 1 1 40 40 ILE H H 40 8.220 8.220 8.327 -0.107 19438 6790 1 9 . 1 1 41 41 VAL N N 41 120.760 120.760 120.824 -0.064 19438 6791 1 9 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.610 -0.224 19438 6792 1 9 . 1 1 41 41 VAL C C 41 179.090 179.090 178.260 0.830 19438 6793 1 9 . 1 1 41 41 VAL CA C 41 67.860 67.860 66.693 1.167 19438 6794 1 9 . 1 1 41 41 VAL CB C 41 31.330 31.330 30.821 0.509 19438 6795 1 9 . 1 1 41 41 VAL H H 41 8.737 8.737 8.075 0.662 19438 6796 1 9 . 1 1 42 42 ASN N N 42 119.950 119.950 118.386 1.564 19438 6797 1 9 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.600 0.007 19438 6798 1 9 . 1 1 42 42 ASN C C 42 178.080 178.080 178.085 -0.005 19438 6799 1 9 . 1 1 42 42 ASN CA C 42 55.880 55.880 55.815 0.065 19438 6800 1 9 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.006 -0.516 19438 6801 1 9 . 1 1 42 42 ASN H H 42 8.542 8.542 8.767 -0.225 19438 6802 1 9 . 1 1 43 43 GLY N N 43 112.070 112.070 109.541 2.529 19438 6803 1 9 . 1 1 43 43 GLY C C 43 176.070 176.070 176.084 -0.014 19438 6804 1 9 . 1 1 43 43 GLY CA C 43 47.590 47.590 46.990 0.600 19438 6805 1 9 . 1 1 43 43 GLY H H 43 8.387 8.387 8.235 0.152 19438 6806 1 9 . 1 1 44 44 VAL N N 44 122.900 122.900 122.356 0.544 19438 6807 1 9 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.514 0.013 19438 6808 1 9 . 1 1 44 44 VAL C C 44 176.700 176.700 177.012 -0.312 19438 6809 1 9 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.598 0.242 19438 6810 1 9 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.495 -0.245 19438 6811 1 9 . 1 1 44 44 VAL H H 44 9.078 9.078 8.232 0.846 19438 6812 1 9 . 1 1 45 45 ASP N N 45 119.070 119.070 119.636 -0.566 19438 6813 1 9 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.226 -0.034 19438 6814 1 9 . 1 1 45 45 ASP C C 45 176.540 176.540 178.259 -1.719 19438 6815 1 9 . 1 1 45 45 ASP CA C 45 58.490 58.490 58.238 0.252 19438 6816 1 9 . 1 1 45 45 ASP CB C 45 42.940 42.940 40.900 2.041 19438 6817 1 9 . 1 1 45 45 ASP H H 45 7.745 7.745 8.403 -0.658 19438 6818 1 9 . 1 1 46 46 ARG N N 46 115.750 115.750 119.512 -3.762 19438 6819 1 9 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.184 -0.190 19438 6820 1 9 . 1 1 46 46 ARG C C 46 179.760 179.760 179.034 0.726 19438 6821 1 9 . 1 1 46 46 ARG CA C 46 59.630 59.630 59.090 0.540 19438 6822 1 9 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.396 -0.206 19438 6823 1 9 . 1 1 46 46 ARG H H 46 7.557 7.557 7.681 -0.124 19438 6824 1 9 . 1 1 47 47 VAL N N 47 118.740 118.740 119.858 -1.118 19438 6825 1 9 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.843 0.069 19438 6826 1 9 . 1 1 47 47 VAL C C 47 179.150 179.150 178.113 1.037 19438 6827 1 9 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.092 -0.052 19438 6828 1 9 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.303 0.467 19438 6829 1 9 . 1 1 47 47 VAL H H 47 8.187 8.187 7.703 0.484 19438 6830 1 9 . 1 1 48 48 ILE N N 48 122.340 122.340 121.049 1.291 19438 6831 1 9 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.785 -0.088 19438 6832 1 9 . 1 1 48 48 ILE C C 48 178.130 178.130 178.002 0.128 19438 6833 1 9 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.907 0.733 19438 6834 1 9 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.339 -0.709 19438 6835 1 9 . 1 1 48 48 ILE H H 48 8.786 8.786 8.532 0.254 19438 6836 1 9 . 1 1 49 49 LYS N N 49 116.860 116.860 119.469 -2.609 19438 6837 1 9 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.166 -0.107 19438 6838 1 9 . 1 1 49 49 LYS C C 49 178.120 178.120 178.475 -0.355 19438 6839 1 9 . 1 1 49 49 LYS CA C 49 60.270 60.270 59.435 0.834 19438 6840 1 9 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.367 0.733 19438 6841 1 9 . 1 1 49 49 LYS H H 49 7.785 7.785 8.115 -0.330 19438 6842 1 9 . 1 1 50 50 ALA N N 50 117.520 117.520 120.320 -2.800 19438 6843 1 9 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.319 0.037 19438 6844 1 9 . 1 1 50 50 ALA C C 50 179.940 179.940 178.439 1.501 19438 6845 1 9 . 1 1 50 50 ALA CA C 50 53.960 53.960 54.021 -0.061 19438 6846 1 9 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.167 0.193 19438 6847 1 9 . 1 1 50 50 ALA H H 50 7.740 7.740 7.862 -0.122 19438 6848 1 9 . 1 1 51 51 SER N N 51 111.860 111.860 113.409 -1.549 19438 6849 1 9 . 1 1 51 51 SER HA H 51 4.287 4.287 4.456 -0.169 19438 6850 1 9 . 1 1 51 51 SER C C 51 172.840 172.840 173.966 -1.126 19438 6851 1 9 . 1 1 51 51 SER CA C 51 60.610 60.610 60.448 0.162 19438 6852 1 9 . 1 1 51 51 SER CB C 51 64.500 64.500 64.726 -0.226 19438 6853 1 9 . 1 1 51 51 SER H H 51 7.957 7.957 8.017 -0.060 19438 6854 1 9 . 1 1 52 52 PHE N N 52 116.210 116.210 117.293 -1.083 19438 6855 1 9 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.609 0.168 19438 6856 1 9 . 1 1 52 52 PHE C C 52 174.210 174.210 174.175 0.035 19438 6857 1 9 . 1 1 52 52 PHE CA C 52 56.290 56.290 57.369 -1.079 19438 6858 1 9 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.317 1.263 19438 6859 1 9 . 1 1 52 52 PHE H H 52 7.901 7.901 7.931 -0.030 19438 6860 1 9 . 1 1 53 53 ASN N N 53 117.890 117.890 120.807 -2.917 19438 6861 1 9 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.928 -0.026 19438 6862 1 9 . 1 1 53 53 ASN C C 53 175.120 175.120 173.656 1.464 19438 6863 1 9 . 1 1 53 53 ASN CA C 53 53.950 53.950 51.817 2.133 19438 6864 1 9 . 1 1 53 53 ASN CB C 53 37.550 37.550 39.247 -1.697 19438 6865 1 9 . 1 1 53 53 ASN H H 53 8.205 8.205 8.744 -0.539 19438 6866 1 9 . 1 1 54 54 ALA N N 54 125.300 125.300 127.764 -2.464 19438 6867 1 9 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.125 0.316 19438 6868 1 9 . 1 1 54 54 ALA C C 54 176.800 176.800 176.737 0.063 19438 6869 1 9 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.541 1.018 19438 6870 1 9 . 1 1 54 54 ALA CB C 54 24.080 24.080 21.846 2.234 19438 6871 1 9 . 1 1 54 54 ALA H H 54 8.246 8.246 8.405 -0.159 19438 6872 1 9 . 1 1 55 55 SER N N 55 115.850 115.850 118.178 -2.328 19438 6873 1 9 . 1 1 55 55 SER HA H 55 4.789 4.789 4.848 -0.059 19438 6874 1 9 . 1 1 55 55 SER C C 55 172.830 172.830 172.822 0.008 19438 6875 1 9 . 1 1 55 55 SER CA C 55 57.200 57.200 57.481 -0.281 19438 6876 1 9 . 1 1 55 55 SER CB C 55 65.460 65.460 64.758 0.702 19438 6877 1 9 . 1 1 55 55 SER H H 55 8.606 8.606 8.924 -0.318 19438 6878 1 9 . 1 1 56 56 VAL N N 56 121.700 121.700 126.611 -4.911 19438 6879 1 9 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.560 0.234 19438 6880 1 9 . 1 1 56 56 VAL C C 56 173.160 173.160 175.252 -2.092 19438 6881 1 9 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.110 -0.100 19438 6882 1 9 . 1 1 56 56 VAL CB C 56 35.570 35.570 33.551 2.019 19438 6883 1 9 . 1 1 56 56 VAL H H 56 8.648 8.648 8.693 -0.045 19438 6884 1 9 . 1 1 57 57 GLU N N 57 126.130 126.130 128.827 -2.697 19438 6885 1 9 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.655 -0.143 19438 6886 1 9 . 1 1 57 57 GLU C C 57 174.090 174.090 174.223 -0.133 19438 6887 1 9 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.672 -0.122 19438 6888 1 9 . 1 1 57 57 GLU CB C 57 33.910 33.910 32.938 0.972 19438 6889 1 9 . 1 1 57 57 GLU H H 57 8.122 8.122 8.952 -0.830 19438 6890 1 9 . 1 1 58 58 GLU N N 58 124.740 124.740 124.463 0.277 19438 6891 1 9 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.539 0.148 19438 6892 1 9 . 1 1 58 58 GLU C C 58 175.410 175.410 175.338 0.072 19438 6893 1 9 . 1 1 58 58 GLU CA C 58 55.990 55.990 55.319 0.671 19438 6894 1 9 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.467 -0.137 19438 6895 1 9 . 1 1 58 58 GLU H H 58 8.610 8.610 8.570 0.040 19438 6896 1 9 . 1 1 59 59 LEU N N 59 126.780 126.780 125.186 1.594 19438 6897 1 9 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.748 -0.037 19438 6898 1 9 . 1 1 59 59 LEU C C 59 175.970 175.970 176.334 -0.364 19438 6899 1 9 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.231 0.549 19438 6900 1 9 . 1 1 59 59 LEU CB C 59 45.320 45.320 45.301 0.019 19438 6901 1 9 . 1 1 59 59 LEU H H 59 8.259 8.259 8.919 -0.660 19438 6902 1 9 . 1 1 60 60 GLU N N 60 119.810 119.810 118.389 1.421 19438 6903 1 9 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.600 -0.252 19438 6904 1 9 . 1 1 60 60 GLU C C 60 177.560 177.560 176.346 1.214 19438 6905 1 9 . 1 1 60 60 GLU CA C 60 57.340 57.340 55.078 2.262 19438 6906 1 9 . 1 1 60 60 GLU CB C 60 30.260 30.260 31.467 -1.207 19438 6907 1 9 . 1 1 60 60 GLU H H 60 8.258 8.258 8.325 -0.067 19438 6908 1 9 . 1 1 61 61 GLY N N 61 117.720 117.720 108.138 9.582 19438 6909 1 9 . 1 1 61 61 GLY C C 61 174.320 174.320 174.069 0.251 19438 6910 1 9 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.014 0.556 19438 6911 1 9 . 1 1 61 61 GLY H H 61 8.726 8.726 8.347 0.379 19438 6912 1 9 . 1 1 62 62 GLU N N 62 121.700 121.700 119.035 2.665 19438 6913 1 9 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.296 0.235 19438 6914 1 9 . 1 1 62 62 GLU C C 62 177.690 177.690 178.377 -0.687 19438 6915 1 9 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.081 -0.532 19438 6916 1 9 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.156 1.144 19438 6917 1 9 . 1 1 62 62 GLU H H 62 9.337 9.337 8.308 1.029 19438 6918 1 9 . 1 1 63 63 ASP N N 63 120.760 120.760 116.909 3.851 19438 6919 1 9 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.357 -0.027 19438 6920 1 9 . 1 1 63 63 ASP C C 63 178.080 178.080 176.036 2.044 19438 6921 1 9 . 1 1 63 63 ASP CA C 63 57.930 57.930 56.953 0.977 19438 6922 1 9 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.193 0.577 19438 6923 1 9 . 1 1 63 63 ASP H H 63 8.632 8.632 8.915 -0.283 19438 6924 1 9 . 1 1 64 64 CYS N N 64 113.520 113.520 119.316 -5.796 19438 6925 1 9 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.575 -0.143 19438 6926 1 9 . 1 1 64 64 CYS C C 64 173.700 173.700 173.721 -0.021 19438 6927 1 9 . 1 1 64 64 CYS CA C 64 57.170 57.170 57.703 -0.533 19438 6928 1 9 . 1 1 64 64 CYS CB C 64 41.210 41.210 26.921 14.289 19438 6929 1 9 . 1 1 64 64 CYS H H 64 7.962 7.962 8.246 -0.284 19438 6930 1 9 . 1 1 65 65 ASP N N 65 120.200 120.200 120.646 -0.446 19438 6931 1 9 . 1 1 65 65 ASP HA H 65 5.190 5.190 5.324 -0.134 19438 6932 1 9 . 1 1 65 65 ASP C C 65 176.540 176.540 175.886 0.654 19438 6933 1 9 . 1 1 65 65 ASP CA C 65 54.310 54.310 53.846 0.464 19438 6934 1 9 . 1 1 65 65 ASP CB C 65 41.150 41.150 42.903 -1.753 19438 6935 1 9 . 1 1 65 65 ASP H H 65 7.936 7.936 7.909 0.027 19438 6936 1 9 . 1 1 66 66 VAL N N 66 122.070 122.070 119.241 2.829 19438 6937 1 9 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.283 -0.016 19438 6938 1 9 . 1 1 66 66 VAL C C 66 176.000 176.000 175.710 0.290 19438 6939 1 9 . 1 1 66 66 VAL CA C 66 63.190 63.190 62.655 0.535 19438 6940 1 9 . 1 1 66 66 VAL CB C 66 32.430 32.430 33.741 -1.311 19438 6941 1 9 . 1 1 66 66 VAL H H 66 9.431 9.431 9.023 0.408 19438 6942 1 9 . 1 1 67 67 LEU N N 67 119.700 119.700 120.696 -0.996 19438 6943 1 9 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.741 -0.102 19438 6944 1 9 . 1 1 67 67 LEU C C 67 174.400 174.400 173.807 0.593 19438 6945 1 9 . 1 1 67 67 LEU CA C 67 55.100 55.100 55.104 -0.004 19438 6946 1 9 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.330 -0.310 19438 6947 1 9 . 1 1 67 67 LEU H H 67 7.625 7.625 7.484 0.141 19438 6948 1 9 . 1 1 68 68 TYR N N 68 126.330 126.330 127.094 -0.764 19438 6949 1 9 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.442 0.408 19438 6950 1 9 . 1 1 68 68 TYR C C 68 173.460 173.460 173.207 0.253 19438 6951 1 9 . 1 1 68 68 TYR CA C 68 54.660 54.660 56.204 -1.544 19438 6952 1 9 . 1 1 68 68 TYR CB C 68 38.140 38.140 40.569 -2.429 19438 6953 1 9 . 1 1 68 68 TYR H H 68 9.086 9.086 8.695 0.391 19438 6954 1 9 . 1 1 69 69 ARG N N 69 127.440 127.440 129.056 -1.616 19438 6955 1 9 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.004 -0.144 19438 6956 1 9 . 1 1 69 69 ARG C C 69 173.030 173.030 174.152 -1.122 19438 6957 1 9 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.465 -0.035 19438 6958 1 9 . 1 1 69 69 ARG CB C 69 35.030 35.030 33.547 1.483 19438 6959 1 9 . 1 1 69 69 ARG H H 69 9.569 9.569 9.282 0.287 19438 6960 1 9 . 1 1 70 70 LYS N N 70 122.850 122.850 127.389 -4.539 19438 6961 1 9 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.291 -0.286 19438 6962 1 9 . 1 1 70 70 LYS C C 70 175.830 175.830 174.619 1.211 19438 6963 1 9 . 1 1 70 70 LYS CA C 70 54.690 54.690 54.645 0.045 19438 6964 1 9 . 1 1 70 70 LYS CB C 70 36.040 36.040 35.987 0.053 19438 6965 1 9 . 1 1 70 70 LYS H H 70 8.612 8.612 9.035 -0.423 19438 6966 1 9 . 1 1 71 71 TYR N N 71 129.420 129.420 124.202 5.218 19438 6967 1 9 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.313 -0.011 19438 6968 1 9 . 1 1 71 71 TYR C C 71 175.710 175.710 175.447 0.263 19438 6969 1 9 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.609 0.351 19438 6970 1 9 . 1 1 71 71 TYR CB C 71 40.330 40.330 42.179 -1.849 19438 6971 1 9 . 1 1 71 71 TYR H H 71 9.762 9.762 9.392 0.370 19438 6972 1 9 . 1 1 72 72 THR N N 72 119.820 119.820 122.400 -2.580 19438 6973 1 9 . 1 1 72 72 THR HA H 72 4.707 4.707 4.769 -0.062 19438 6974 1 9 . 1 1 72 72 THR C C 72 173.860 173.860 173.208 0.652 19438 6975 1 9 . 1 1 72 72 THR CA C 72 63.250 63.250 62.519 0.731 19438 6976 1 9 . 1 1 72 72 THR CB C 72 69.370 69.370 69.535 -0.165 19438 6977 1 9 . 1 1 72 72 THR H H 72 8.845 8.845 9.316 -0.471 19438 6978 1 9 . 1 1 73 73 LEU N N 73 125.420 125.420 127.741 -2.321 19438 6979 1 9 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.507 -0.378 19438 6980 1 9 . 1 1 73 73 LEU C C 73 175.760 175.760 175.582 0.178 19438 6981 1 9 . 1 1 73 73 LEU CA C 73 54.080 54.080 52.980 1.100 19438 6982 1 9 . 1 1 73 73 LEU CB C 73 45.350 45.350 44.134 1.216 19438 6983 1 9 . 1 1 73 73 LEU H H 73 8.929 8.929 9.354 -0.425 19438 6984 1 9 . 1 1 74 74 GLU N N 74 120.090 120.090 120.036 0.054 19438 6985 1 9 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.712 -0.498 19438 6986 1 9 . 1 1 74 74 GLU C C 74 175.400 175.400 174.882 0.518 19438 6987 1 9 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.067 0.673 19438 6988 1 9 . 1 1 74 74 GLU CB C 74 33.040 33.040 35.287 -2.247 19438 6989 1 9 . 1 1 74 74 GLU H H 74 8.311 8.311 8.983 -0.672 19438 6990 1 9 . 1 1 75 75 LYS N N 75 124.230 124.230 120.031 4.199 19438 6991 1 9 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.852 -0.379 19438 6992 1 9 . 1 1 75 75 LYS C C 75 175.380 175.380 175.028 0.352 19438 6993 1 9 . 1 1 75 75 LYS CA C 75 57.060 57.060 53.914 3.146 19438 6994 1 9 . 1 1 75 75 LYS CB C 75 35.740 35.740 37.088 -1.348 19438 6995 1 9 . 1 1 75 75 LYS H H 75 8.691 8.691 9.186 -0.495 19438 6996 1 9 . 1 1 76 76 GLU N N 76 127.760 127.760 124.891 2.869 19438 6997 1 9 . 1 1 76 76 GLU HA H 76 3.903 3.903 4.056 -0.153 19438 6998 1 9 . 1 1 76 76 GLU C C 76 176.190 176.190 176.798 -0.608 19438 6999 1 9 . 1 1 76 76 GLU CA C 76 57.450 57.450 58.303 -0.853 19438 7000 1 9 . 1 1 76 76 GLU CB C 76 27.830 27.830 27.841 -0.011 19438 7001 1 9 . 1 1 76 76 GLU H H 76 9.556 9.556 9.074 0.482 19438 7002 1 9 . 1 1 77 77 GLY N N 77 106.560 106.560 113.774 -7.214 19438 7003 1 9 . 1 1 77 77 GLY C C 77 174.320 174.320 173.329 0.991 19438 7004 1 9 . 1 1 77 77 GLY CA C 77 45.640 45.640 44.829 0.811 19438 7005 1 9 . 1 1 77 77 GLY H H 77 8.928 8.928 8.589 0.339 19438 7006 1 9 . 1 1 78 78 LYS N N 78 121.600 121.600 121.422 0.178 19438 7007 1 9 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.709 -0.124 19438 7008 1 9 . 1 1 78 78 LYS C C 78 175.240 175.240 174.411 0.829 19438 7009 1 9 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.227 0.152 19438 7010 1 9 . 1 1 78 78 LYS CB C 78 33.490 33.490 34.579 -1.089 19438 7011 1 9 . 1 1 78 78 LYS H H 78 8.015 8.015 8.198 -0.183 19438 7012 1 9 . 1 1 79 79 LYS N N 79 120.990 120.990 122.892 -1.902 19438 7013 1 9 . 1 1 79 79 LYS HA H 79 5.199 5.199 4.984 0.215 19438 7014 1 9 . 1 1 79 79 LYS C C 79 176.150 176.150 174.852 1.298 19438 7015 1 9 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.160 0.910 19438 7016 1 9 . 1 1 79 79 LYS CB C 79 35.080 35.080 35.766 -0.686 19438 7017 1 9 . 1 1 79 79 LYS H H 79 8.438 8.438 8.165 0.273 19438 7018 1 9 . 1 1 80 80 GLY N N 80 107.840 107.840 109.734 -1.894 19438 7019 1 9 . 1 1 80 80 GLY C C 80 170.430 170.430 171.605 -1.175 19438 7020 1 9 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.257 0.003 19438 7021 1 9 . 1 1 80 80 GLY H H 80 8.391 8.391 8.627 -0.236 19438 7022 1 9 . 1 1 81 81 ILE N N 81 120.670 120.670 118.072 2.598 19438 7023 1 9 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.260 0.022 19438 7024 1 9 . 1 1 81 81 ILE C C 81 175.210 175.210 174.236 0.974 19438 7025 1 9 . 1 1 81 81 ILE CA C 81 58.640 58.640 59.751 -1.111 19438 7026 1 9 . 1 1 81 81 ILE CB C 81 42.420 42.420 42.922 -0.502 19438 7027 1 9 . 1 1 81 81 ILE H H 81 8.623 8.623 9.102 -0.479 19438 7028 1 9 . 1 1 82 82 VAL N N 82 121.970 121.970 123.554 -1.584 19438 7029 1 9 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.953 -0.239 19438 7030 1 9 . 1 1 82 82 VAL C C 82 174.230 174.230 174.705 -0.475 19438 7031 1 9 . 1 1 82 82 VAL CA C 82 61.010 61.010 61.261 -0.251 19438 7032 1 9 . 1 1 82 82 VAL CB C 82 35.260 35.260 34.855 0.404 19438 7033 1 9 . 1 1 82 82 VAL H H 82 8.967 8.967 9.292 -0.325 19438 7034 1 9 . 1 1 83 83 HIS N N 83 129.690 129.690 127.638 2.052 19438 7035 1 9 . 1 1 83 83 HIS HA H 83 5.219 5.219 5.198 0.021 19438 7036 1 9 . 1 1 83 83 HIS C C 83 174.960 174.960 174.079 0.881 19438 7037 1 9 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.334 1.105 19438 7038 1 9 . 1 1 83 83 HIS CB C 83 32.240 32.240 31.685 0.555 19438 7039 1 9 . 1 1 83 83 HIS H H 83 8.960 8.960 9.502 -0.542 19438 7040 1 9 . 1 1 84 84 VAL N N 84 125.620 125.620 125.957 -0.337 19438 7041 1 9 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.248 0.878 19438 7042 1 9 . 1 1 84 84 VAL C C 84 174.590 174.590 174.104 0.486 19438 7043 1 9 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.126 1.104 19438 7044 1 9 . 1 1 84 84 VAL CB C 84 34.020 34.020 31.834 2.187 19438 7045 1 9 . 1 1 84 84 VAL H H 84 9.834 9.834 9.252 0.582 19438 7046 1 9 . 1 1 85 85 LYS N N 85 125.370 125.370 129.257 -3.887 19438 7047 1 9 . 1 1 85 85 LYS HA H 85 5.464 5.464 4.891 0.573 19438 7048 1 9 . 1 1 85 85 LYS C C 85 174.890 174.890 174.627 0.263 19438 7049 1 9 . 1 1 85 85 LYS CA C 85 54.210 54.210 54.221 -0.012 19438 7050 1 9 . 1 1 85 85 LYS CB C 85 36.430 36.430 35.267 1.163 19438 7051 1 9 . 1 1 85 85 LYS H H 85 9.517 9.517 9.009 0.508 19438 7052 1 9 . 1 1 86 86 LEU N N 86 123.830 123.830 128.385 -4.555 19438 7053 1 9 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.673 0.474 19438 7054 1 9 . 1 1 86 86 LEU C C 86 174.760 174.760 175.500 -0.740 19438 7055 1 9 . 1 1 86 86 LEU CA C 86 54.210 54.210 54.169 0.041 19438 7056 1 9 . 1 1 86 86 LEU CB C 86 44.830 44.830 42.597 2.233 19438 7057 1 9 . 1 1 86 86 LEU H H 86 8.400 8.400 9.190 -0.790 19438 7058 1 9 . 1 1 87 87 ARG N N 87 128.610 128.610 124.005 4.605 19438 7059 1 9 . 1 1 87 87 ARG HA H 87 5.473 5.473 5.068 0.405 19438 7060 1 9 . 1 1 87 87 ARG C C 87 176.130 176.130 175.112 1.018 19438 7061 1 9 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.716 0.254 19438 7062 1 9 . 1 1 87 87 ARG CB C 87 34.230 34.230 32.752 1.478 19438 7063 1 9 . 1 1 87 87 ARG H H 87 9.647 9.647 9.130 0.517 19438 7064 1 9 . 1 1 88 88 LYS N N 88 122.810 122.810 125.208 -2.398 19438 7065 1 9 . 1 1 88 88 LYS HA H 88 4.138 4.138 3.947 0.191 19438 7066 1 9 . 1 1 88 88 LYS C C 88 174.890 174.890 175.244 -0.354 19438 7067 1 9 . 1 1 88 88 LYS CA C 88 56.330 56.330 54.965 1.365 19438 7068 1 9 . 1 1 88 88 LYS CB C 88 34.310 34.310 32.905 1.405 19438 7069 1 9 . 1 1 88 88 LYS H H 88 8.510 8.510 8.599 -0.089 19438 7070 1 9 . 1 1 89 89 ILE N N 89 120.880 120.880 129.050 -8.170 19438 7071 1 9 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.116 0.515 19438 7072 1 9 . 1 1 89 89 ILE C C 89 176.400 176.400 174.545 1.855 19438 7073 1 9 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.395 -0.725 19438 7074 1 9 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.826 -1.106 19438 7075 1 9 . 1 1 89 89 ILE H H 89 7.470 7.470 7.980 -0.510 19438 7076 1 9 . 1 1 90 90 THR N N 90 116.610 116.610 122.811 -6.201 19438 7077 1 9 . 1 1 90 90 THR HA H 90 4.700 4.700 4.645 0.055 19438 7078 1 9 . 1 1 90 90 THR CA C 90 59.100 59.100 59.894 -0.794 19438 7079 1 9 . 1 1 90 90 THR CB C 90 72.600 72.600 70.937 1.663 19438 7080 1 9 . 1 1 90 90 THR H H 90 7.701 7.701 7.812 -0.111 19438 7081 1 9 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.318 -0.288 19438 7082 1 9 . 1 1 91 91 GLU C C 91 177.100 177.100 175.955 1.145 19438 7083 1 9 . 1 1 91 91 GLU CA C 91 59.640 59.640 57.628 2.012 19438 7084 1 9 . 1 1 91 91 GLU CB C 91 29.050 29.050 28.690 0.360 19438 7085 1 9 . 1 1 92 92 ASN N N 92 113.650 113.650 115.911 -2.261 19438 7086 1 9 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.769 -0.069 19438 7087 1 9 . 1 1 92 92 ASN C C 92 174.100 174.100 174.297 -0.197 19438 7088 1 9 . 1 1 92 92 ASN CA C 92 53.490 53.490 53.306 0.184 19438 7089 1 9 . 1 1 92 92 ASN CB C 92 39.270 39.270 40.075 -0.805 19438 7090 1 9 . 1 1 92 92 ASN H H 92 7.915 7.915 7.837 0.078 19438 7091 1 9 . 1 1 93 93 CYS N N 93 120.190 120.190 121.191 -1.001 19438 7092 1 9 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.959 0.117 19438 7093 1 9 . 1 1 93 93 CYS CA C 93 52.610 52.610 56.592 -3.982 19438 7094 1 9 . 1 1 93 93 CYS CB C 93 42.090 42.090 30.189 11.900 19438 7095 1 9 . 1 1 93 93 CYS H H 93 7.514 7.514 7.408 0.106 19438 7096 1 9 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.701 0.089 19438 7097 1 9 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.415 0.085 19438 7098 1 9 . 1 1 95 95 PRO C C 95 177.770 177.770 176.157 1.613 19438 7099 1 9 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.609 0.131 19438 7100 1 9 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.248 -0.148 19438 7101 1 9 . 1 1 96 96 VAL N N 96 123.600 123.600 120.377 3.223 19438 7102 1 9 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.193 -0.246 19438 7103 1 9 . 1 1 96 96 VAL C C 96 175.780 175.780 175.721 0.059 19438 7104 1 9 . 1 1 96 96 VAL CA C 96 62.100 62.100 61.027 1.073 19438 7105 1 9 . 1 1 96 96 VAL CB C 96 32.580 32.580 32.458 0.122 19438 7106 1 9 . 1 1 96 96 VAL H H 96 9.071 9.071 9.053 0.018 19438 7107 1 9 . 1 1 97 97 ASP N N 97 125.400 125.400 121.602 3.798 19438 7108 1 9 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.675 -0.005 19438 7109 1 9 . 1 1 97 97 ASP C C 97 175.410 175.410 175.148 0.262 19438 7110 1 9 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.272 0.738 19438 7111 1 9 . 1 1 97 97 ASP CB C 97 41.580 41.580 42.103 -0.523 19438 7112 1 9 . 1 1 97 97 ASP H H 97 8.313 8.313 8.289 0.024 19438 7113 1 9 . 1 1 98 98 GLY N N 98 108.310 108.310 108.278 0.032 19438 7114 1 9 . 1 1 98 98 GLY C C 98 173.140 173.140 172.829 0.311 19438 7115 1 9 . 1 1 98 98 GLY CA C 98 45.270 45.270 45.079 0.191 19438 7116 1 9 . 1 1 98 98 GLY H H 98 7.838 7.838 8.175 -0.337 19438 7117 1 9 . 1 1 99 99 ASN N N 99 120.050 120.050 119.131 0.919 19438 7118 1 9 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.664 0.518 19438 7119 1 9 . 1 1 99 99 ASN C C 99 174.700 174.700 175.076 -0.376 19438 7120 1 9 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.289 -0.169 19438 7121 1 9 . 1 1 99 99 ASN CB C 99 39.360 39.360 40.182 -0.822 19438 7122 1 9 . 1 1 99 99 ASN H H 99 8.685 8.685 8.443 0.242 19438 7123 1 9 . 1 1 100 100 ARG N N 100 121.100 121.100 123.036 -1.936 19438 7124 1 9 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.503 0.406 19438 7125 1 9 . 1 1 100 100 ARG C C 100 176.930 176.930 175.508 1.422 19438 7126 1 9 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.168 0.642 19438 7127 1 9 . 1 1 100 100 ARG CB C 100 31.710 31.710 31.431 0.279 19438 7128 1 9 . 1 1 100 100 ARG H H 100 8.502 8.502 8.300 0.202 19438 7129 1 9 . 1 1 101 101 CYS N N 101 121.180 121.180 124.973 -3.793 19438 7130 1 9 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.448 0.258 19438 7131 1 9 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.489 -3.219 19438 7132 1 9 . 1 1 101 101 CYS H H 101 8.607 8.607 8.793 -0.186 19438 7133 1 9 . 1 1 102 102 SER HA H 102 4.565 4.565 4.530 0.035 19438 7134 1 9 . 1 1 102 102 SER C C 102 174.220 174.220 173.557 0.663 19438 7135 1 9 . 1 1 102 102 SER CA C 102 57.900 57.900 58.146 -0.246 19438 7136 1 9 . 1 1 102 102 SER CB C 102 63.700 63.700 62.314 1.386 19438 7137 1 9 . 1 1 103 103 VAL N N 103 122.910 122.910 125.217 -2.307 19438 7138 1 9 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.383 -0.161 19438 7139 1 9 . 1 1 103 103 VAL C C 103 175.070 175.070 175.086 -0.016 19438 7140 1 9 . 1 1 103 103 VAL CA C 103 62.440 62.440 61.530 0.910 19438 7141 1 9 . 1 1 103 103 VAL H H 103 8.332 8.332 8.098 0.234 19438 7142 1 9 . 1 1 104 104 LEU N N 104 125.940 125.940 126.181 -0.241 19438 7143 1 9 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.848 -0.435 19438 7144 1 9 . 1 1 104 104 LEU C C 104 177.220 177.220 175.762 1.458 19438 7145 1 9 . 1 1 104 104 LEU CA C 104 55.930 55.930 55.302 0.628 19438 7146 1 9 . 1 1 104 104 LEU CB C 104 42.890 42.890 44.248 -1.358 19438 7147 1 9 . 1 1 104 104 LEU H H 104 8.831 8.831 9.876 -1.045 19438 7148 1 9 . 1 1 105 105 GLU N N 105 120.540 120.540 118.346 2.194 19438 7149 1 9 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.727 -0.316 19438 7150 1 9 . 1 1 105 105 GLU C C 105 175.400 175.400 176.413 -1.013 19438 7151 1 9 . 1 1 105 105 GLU CA C 105 55.890 55.890 54.998 0.892 19438 7152 1 9 . 1 1 105 105 GLU CB C 105 30.460 30.460 31.753 -1.293 19438 7153 1 9 . 1 1 105 105 GLU H H 105 8.070 8.070 7.831 0.239 19438 7154 1 9 . 1 1 106 106 PHE N N 106 124.060 124.060 124.956 -0.896 19438 7155 1 9 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.104 -0.043 19438 7156 1 9 . 1 1 106 106 PHE C C 106 175.880 175.880 177.073 -1.193 19438 7157 1 9 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.955 0.165 19438 7158 1 9 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.218 0.452 19438 7159 1 9 . 1 1 106 106 PHE H H 106 8.666 8.666 9.070 -0.404 19438 7160 1 9 . 1 1 107 107 GLU N N 107 117.290 117.290 119.030 -1.740 19438 7161 1 9 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.751 0.135 19438 7162 1 9 . 1 1 107 107 GLU C C 107 178.050 178.050 179.189 -1.139 19438 7163 1 9 . 1 1 107 107 GLU CA C 107 59.360 59.360 60.091 -0.731 19438 7164 1 9 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.130 0.200 19438 7165 1 9 . 1 1 107 107 GLU H H 107 8.932 8.932 8.621 0.311 19438 7166 1 9 . 1 1 108 108 ARG N N 108 117.240 117.240 118.367 -1.127 19438 7167 1 9 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.165 0.143 19438 7168 1 9 . 1 1 108 108 ARG C C 108 177.930 177.930 178.463 -0.533 19438 7169 1 9 . 1 1 108 108 ARG CA C 108 57.120 57.120 57.934 -0.813 19438 7170 1 9 . 1 1 108 108 ARG CB C 108 31.110 31.110 29.861 1.249 19438 7171 1 9 . 1 1 108 108 ARG H H 108 7.533 7.533 8.058 -0.525 19438 7172 1 9 . 1 1 109 109 ASP N N 109 120.040 120.040 121.220 -1.180 19438 7173 1 9 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.350 0.250 19438 7174 1 9 . 1 1 109 109 ASP C C 109 177.980 177.980 178.629 -0.649 19438 7175 1 9 . 1 1 109 109 ASP CA C 109 56.810 56.810 57.508 -0.698 19438 7176 1 9 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.326 1.174 19438 7177 1 9 . 1 1 109 109 ASP H H 109 8.295 8.295 7.992 0.303 19438 7178 1 9 . 1 1 110 110 ILE N N 110 118.710 118.710 119.837 -1.127 19438 7179 1 9 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.692 0.102 19438 7180 1 9 . 1 1 110 110 ILE C C 110 176.740 176.740 176.316 0.424 19438 7181 1 9 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.581 -1.731 19438 7182 1 9 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.655 -0.625 19438 7183 1 9 . 1 1 110 110 ILE H H 110 8.081 8.081 8.153 -0.072 19438 7184 1 9 . 1 1 111 111 GLU N N 111 121.140 121.140 119.624 1.516 19438 7185 1 9 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.997 -0.035 19438 7186 1 9 . 1 1 111 111 GLU C C 111 177.400 177.400 178.783 -1.383 19438 7187 1 9 . 1 1 111 111 GLU CA C 111 59.600 59.600 58.983 0.617 19438 7188 1 9 . 1 1 111 111 GLU CB C 111 29.300 29.300 28.400 0.900 19438 7189 1 9 . 1 1 111 111 GLU H H 111 7.558 7.558 7.743 -0.185 19438 7190 1 9 . 1 1 112 112 CYS N N 112 117.380 117.380 119.447 -2.067 19438 7191 1 9 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.112 -0.009 19438 7192 1 9 . 1 1 112 112 CYS C C 112 176.570 176.570 176.483 0.087 19438 7193 1 9 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.829 -3.539 19438 7194 1 9 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.482 15.428 19438 7195 1 9 . 1 1 112 112 CYS H H 112 7.739 7.739 8.184 -0.445 19438 7196 1 9 . 1 1 113 113 ILE N N 113 118.520 118.520 121.194 -2.674 19438 7197 1 9 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.843 -0.010 19438 7198 1 9 . 1 1 113 113 ILE C C 113 177.220 177.220 178.639 -1.419 19438 7199 1 9 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.593 -0.183 19438 7200 1 9 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.553 0.876 19438 7201 1 9 . 1 1 113 113 ILE H H 113 7.682 7.682 8.093 -0.411 19438 7202 1 9 . 1 1 114 114 VAL N N 114 120.390 120.390 120.242 0.148 19438 7203 1 9 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.539 -0.071 19438 7204 1 9 . 1 1 114 114 VAL C C 114 177.970 177.970 177.608 0.362 19438 7205 1 9 . 1 1 114 114 VAL CA C 114 67.960 67.960 67.462 0.498 19438 7206 1 9 . 1 1 114 114 VAL CB C 114 31.730 31.730 31.246 0.484 19438 7207 1 9 . 1 1 114 114 VAL H H 114 7.765 7.765 8.381 -0.616 19438 7208 1 9 . 1 1 115 115 LYS N N 115 118.840 118.840 120.703 -1.863 19438 7209 1 9 . 1 1 115 115 LYS HA H 115 4.129 4.129 3.909 0.220 19438 7210 1 9 . 1 1 115 115 LYS C C 115 178.870 178.870 178.463 0.407 19438 7211 1 9 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.973 -0.673 19438 7212 1 9 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.204 -0.294 19438 7213 1 9 . 1 1 115 115 LYS H H 115 8.314 8.314 8.101 0.213 19438 7214 1 9 . 1 1 116 116 ALA N N 116 121.000 121.000 121.478 -0.478 19438 7215 1 9 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.137 0.089 19438 7216 1 9 . 1 1 116 116 ALA C C 116 181.600 181.600 179.979 1.621 19438 7217 1 9 . 1 1 116 116 ALA CA C 116 55.320 55.320 54.909 0.411 19438 7218 1 9 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.487 0.163 19438 7219 1 9 . 1 1 116 116 ALA H H 116 7.427 7.427 7.818 -0.391 19438 7220 1 9 . 1 1 117 117 ILE N N 117 120.090 120.090 119.136 0.954 19438 7221 1 9 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.516 -0.203 19438 7222 1 9 . 1 1 117 117 ILE C C 117 177.630 177.630 177.492 0.138 19438 7223 1 9 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.626 0.884 19438 7224 1 9 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.678 0.182 19438 7225 1 9 . 1 1 117 117 ILE H H 117 8.121 8.121 8.182 -0.061 19438 7226 1 9 . 1 1 118 118 GLU N N 118 119.300 119.300 120.393 -1.093 19438 7227 1 9 . 1 1 118 118 GLU HA H 118 3.886 3.886 3.978 -0.092 19438 7228 1 9 . 1 1 118 118 GLU C C 118 179.850 179.850 179.117 0.733 19438 7229 1 9 . 1 1 118 118 GLU CA C 118 60.760 60.760 60.082 0.678 19438 7230 1 9 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.378 0.272 19438 7231 1 9 . 1 1 118 118 GLU H H 118 8.657 8.657 8.485 0.172 19438 7232 1 9 . 1 1 119 119 GLU N N 119 119.080 119.080 119.481 -0.401 19438 7233 1 9 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.100 -0.032 19438 7234 1 9 . 1 1 119 119 GLU C C 119 178.670 178.670 178.908 -0.238 19438 7235 1 9 . 1 1 119 119 GLU CA C 119 59.390 59.390 58.981 0.409 19438 7236 1 9 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.536 0.184 19438 7237 1 9 . 1 1 119 119 GLU H H 119 8.596 8.596 8.558 0.038 19438 7238 1 9 . 1 1 120 120 CYS N N 120 117.950 117.950 118.720 -0.770 19438 7239 1 9 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.635 -0.193 19438 7240 1 9 . 1 1 120 120 CYS C C 120 177.280 177.280 176.599 0.681 19438 7241 1 9 . 1 1 120 120 CYS CA C 120 58.480 58.480 61.550 -3.071 19438 7242 1 9 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.244 13.176 19438 7243 1 9 . 1 1 120 120 CYS H H 120 7.686 7.686 7.864 -0.178 19438 7244 1 9 . 1 1 121 121 LEU N N 121 118.000 118.000 119.162 -1.162 19438 7245 1 9 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.273 -0.252 19438 7246 1 9 . 1 1 121 121 LEU C C 121 179.010 179.010 179.204 -0.194 19438 7247 1 9 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.123 0.547 19438 7248 1 9 . 1 1 121 121 LEU CB C 121 41.380 41.380 42.127 -0.747 19438 7249 1 9 . 1 1 121 121 LEU H H 121 8.194 8.194 7.702 0.492 19438 7250 1 9 . 1 1 122 122 ALA N N 122 119.940 119.940 119.992 -0.052 19438 7251 1 9 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.276 -0.050 19438 7252 1 9 . 1 1 122 122 ALA C C 122 179.040 179.040 178.261 0.779 19438 7253 1 9 . 1 1 122 122 ALA CA C 122 54.160 54.160 53.372 0.788 19438 7254 1 9 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.927 -0.047 19438 7255 1 9 . 1 1 122 122 ALA H H 122 7.974 7.974 7.931 0.043 19438 7256 1 9 . 1 1 123 123 LYS N N 123 117.940 117.940 117.268 0.672 19438 7257 1 9 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.132 0.059 19438 7258 1 9 . 1 1 123 123 LYS C C 123 177.770 177.770 176.480 1.290 19438 7259 1 9 . 1 1 123 123 LYS CA C 123 57.710 57.710 56.477 1.233 19438 7260 1 9 . 1 1 123 123 LYS CB C 123 32.570 32.570 32.620 -0.050 19438 7261 1 9 . 1 1 123 123 LYS H H 123 7.774 7.774 7.930 -0.156 19438 7262 1 9 . 1 1 124 124 GLY N N 124 107.510 107.510 107.950 -0.440 19438 7263 1 9 . 1 1 124 124 GLY C C 124 174.290 174.290 172.809 1.481 19438 7264 1 9 . 1 1 124 124 GLY CA C 124 46.060 46.060 44.491 1.569 19438 7265 1 9 . 1 1 124 124 GLY H H 124 8.084 8.084 7.171 0.913 19438 7266 1 9 . 1 1 125 125 GLU N N 125 120.170 120.170 120.285 -0.115 19438 7267 1 9 . 1 1 125 125 GLU HA H 125 4.318 4.318 3.856 0.462 19438 7268 1 9 . 1 1 125 125 GLU C C 125 176.940 176.940 175.449 1.491 19438 7269 1 9 . 1 1 125 125 GLU CA C 125 56.780 56.780 55.559 1.221 19438 7270 1 9 . 1 1 125 125 GLU CB C 125 30.760 30.760 28.822 1.938 19438 7271 1 9 . 1 1 125 125 GLU H H 125 7.997 7.997 8.326 -0.329 19438 7272 1 9 . 1 1 126 126 LEU N N 126 122.210 122.210 120.554 1.656 19438 7273 1 9 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.858 -0.548 19438 7274 1 9 . 1 1 126 126 LEU C C 126 177.320 177.320 175.684 1.636 19438 7275 1 9 . 1 1 126 126 LEU CA C 126 55.940 55.940 54.266 1.674 19438 7276 1 9 . 1 1 126 126 LEU CB C 126 42.540 42.540 43.364 -0.824 19438 7277 1 9 . 1 1 126 126 LEU H H 126 8.218 8.218 7.362 0.856 19438 7278 1 9 . 1 1 127 127 ASN N N 127 119.250 119.250 122.730 -3.480 19438 7279 1 9 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.685 0.009 19438 7280 1 9 . 1 1 127 127 ASN C C 127 175.720 175.720 173.516 2.204 19438 7281 1 9 . 1 1 127 127 ASN CA C 127 53.930 53.930 53.946 -0.016 19438 7282 1 9 . 1 1 127 127 ASN CB C 127 38.970 38.970 39.961 -0.991 19438 7283 1 9 . 1 1 127 127 ASN H H 127 8.445 8.445 9.369 -0.924 19438 7284 1 9 . 1 1 128 128 SER N N 128 116.060 116.060 120.267 -4.207 19438 7285 1 9 . 1 1 128 128 SER HA H 128 4.373 4.373 4.564 -0.191 19438 7286 1 9 . 1 1 128 128 SER C C 128 174.830 174.830 175.736 -0.906 19438 7287 1 9 . 1 1 128 128 SER CA C 128 59.120 59.120 60.074 -0.954 19438 7288 1 9 . 1 1 128 128 SER CB C 128 63.830 63.830 63.583 0.247 19438 7289 1 9 . 1 1 128 128 SER H H 128 8.182 8.182 8.449 -0.267 19438 7290 1 9 . 1 1 129 129 LYS N N 129 122.520 122.520 120.738 1.782 19438 7291 1 9 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.030 0.328 19438 7292 1 9 . 1 1 129 129 LYS C C 129 176.750 176.750 175.803 0.947 19438 7293 1 9 . 1 1 129 129 LYS CA C 129 56.710 56.710 56.942 -0.232 19438 7294 1 9 . 1 1 129 129 LYS CB C 129 32.760 32.760 31.622 1.138 19438 7295 1 9 . 1 1 129 129 LYS H H 129 8.154 8.154 8.356 -0.202 19438 7296 1 9 . 1 1 130 130 LEU N N 130 122.340 122.340 126.186 -3.846 19438 7297 1 9 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.346 -0.018 19438 7298 1 9 . 1 1 130 130 LEU C C 130 177.430 177.430 177.004 0.426 19438 7299 1 9 . 1 1 130 130 LEU CA C 130 57.430 57.430 55.574 1.856 19438 7300 1 9 . 1 1 130 130 LEU CB C 130 42.380 42.380 40.400 1.980 19438 7301 1 9 . 1 1 130 130 LEU H H 130 8.070 8.070 8.573 -0.503 19438 7302 1 9 . 1 1 131 131 GLU N N 131 121.450 121.450 123.016 -1.566 19438 7303 1 9 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.382 -0.087 19438 7304 1 9 . 1 1 131 131 GLU C C 131 176.920 176.920 175.925 0.995 19438 7305 1 9 . 1 1 131 131 GLU CA C 131 56.690 56.690 55.656 1.034 19438 7306 1 9 . 1 1 131 131 GLU CB C 131 30.380 30.380 30.250 0.130 19438 7307 1 9 . 1 1 131 131 GLU H H 131 8.250 8.250 8.119 0.131 19438 7308 1 9 . 1 1 132 132 GLY N N 132 109.900 109.900 107.394 2.506 19438 7309 1 9 . 1 1 132 132 GLY C C 132 173.770 173.770 172.662 1.108 19438 7310 1 9 . 1 1 132 132 GLY CA C 132 45.290 45.290 44.540 0.750 19438 7311 1 9 . 1 1 132 132 GLY H H 132 8.334 8.334 7.424 0.910 19438 7312 1 9 . 1 1 133 133 LYS N N 133 121.920 121.920 121.655 0.265 19438 7313 1 9 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.800 -0.136 19438 7314 1 9 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.177 0.973 19438 7315 1 9 . 1 1 133 133 LYS CB C 133 32.710 32.710 33.335 -0.625 19438 7316 1 9 . 1 1 133 133 LYS H H 133 8.037 8.037 8.034 0.003 19438 7317 1 9 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.626 -0.175 19438 7318 1 9 . 1 1 134 134 PRO C C 134 176.670 176.670 176.073 0.597 19438 7319 1 9 . 1 1 134 134 PRO CA C 134 62.940 62.940 63.046 -0.106 19438 7320 1 9 . 1 1 134 134 PRO CB C 134 31.890 31.890 32.400 -0.510 19438 7321 1 9 . 1 1 135 135 ILE N N 135 122.710 122.710 123.804 -1.094 19438 7322 1 9 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.474 -0.046 19438 7323 1 9 . 1 1 135 135 ILE CA C 135 58.770 58.770 56.561 2.209 19438 7324 1 9 . 1 1 135 135 ILE CB C 135 38.640 38.640 40.656 -2.016 19438 7325 1 9 . 1 1 135 135 ILE H H 135 8.227 8.227 7.994 0.233 19438 7326 1 9 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.109 0.263 19438 7327 1 9 . 1 1 136 136 PRO C C 136 176.330 176.330 175.891 0.439 19438 7328 1 9 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.449 0.801 19438 7329 1 9 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.110 -0.100 19438 7330 1 9 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.931 0.010 19438 7331 1 9 . 1 1 137 137 ASN CA C 137 51.270 51.270 51.368 -0.098 19438 7332 1 9 . 1 1 137 137 ASN CB C 137 38.670 38.670 38.538 0.132 19438 7333 1 9 . 1 1 137 137 ASN H H 137 8.383 8.383 8.319 0.064 19438 7334 1 9 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.229 0.175 19438 7335 1 9 . 1 1 138 138 PRO C C 138 177.210 177.210 175.568 1.642 19438 7336 1 9 . 1 1 138 138 PRO CA C 138 63.310 63.310 64.262 -0.952 19438 7337 1 9 . 1 1 138 138 PRO CB C 138 32.100 32.100 32.070 0.030 19438 7338 1 9 . 1 1 139 139 LEU N N 139 119.860 119.860 120.775 -0.915 19438 7339 1 9 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.451 -0.150 19438 7340 1 9 . 1 1 139 139 LEU C C 139 177.640 177.640 175.434 2.206 19438 7341 1 9 . 1 1 139 139 LEU CA C 139 55.610 55.610 54.161 1.449 19438 7342 1 9 . 1 1 139 139 LEU CB C 139 41.540 41.540 41.871 -0.331 19438 7343 1 9 . 1 1 139 139 LEU H H 139 8.096 8.096 7.545 0.551 19438 7344 1 9 . 1 1 140 140 LEU N N 140 121.040 121.040 124.205 -3.165 19438 7345 1 9 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.661 -0.346 19438 7346 1 9 . 1 1 140 140 LEU C C 140 177.840 177.840 175.744 2.096 19438 7347 1 9 . 1 1 140 140 LEU CA C 140 55.370 55.370 53.811 1.559 19438 7348 1 9 . 1 1 140 140 LEU CB C 140 42.390 42.390 46.702 -4.311 19438 7349 1 9 . 1 1 140 140 LEU H H 140 7.749 7.749 7.991 -0.242 19438 7350 1 9 . 1 1 141 141 GLY N N 141 108.960 108.960 111.474 -2.514 19438 7351 1 9 . 1 1 141 141 GLY C C 141 174.380 174.380 175.395 -1.015 19438 7352 1 9 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.057 0.593 19438 7353 1 9 . 1 1 141 141 GLY H H 141 8.231 8.231 8.951 -0.720 19438 7354 1 9 . 1 1 142 142 LEU N N 142 121.470 121.470 121.707 -0.237 19438 7355 1 9 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.654 -0.318 19438 7356 1 9 . 1 1 142 142 LEU C C 142 177.390 177.390 175.681 1.709 19438 7357 1 9 . 1 1 142 142 LEU CA C 142 55.630 55.630 53.965 1.665 19438 7358 1 9 . 1 1 142 142 LEU CB C 142 42.600 42.600 40.241 2.359 19438 7359 1 9 . 1 1 142 142 LEU H H 142 8.004 8.004 7.789 0.215 19438 7360 1 9 . 1 1 143 143 ASP N N 143 120.770 120.770 119.797 0.973 19438 7361 1 9 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.719 -0.046 19438 7362 1 9 . 1 1 143 143 ASP C C 143 176.870 176.870 175.259 1.611 19438 7363 1 9 . 1 1 143 143 ASP CA C 143 54.400 54.400 53.379 1.021 19438 7364 1 9 . 1 1 143 143 ASP CB C 143 41.170 41.170 43.414 -2.244 19438 7365 1 9 . 1 1 143 143 ASP H H 143 8.380 8.380 7.678 0.702 19438 7366 1 9 . 1 1 144 144 SER N N 144 116.820 116.820 113.759 3.061 19438 7367 1 9 . 1 1 144 144 SER HA H 144 4.413 4.413 4.697 -0.284 19438 7368 1 9 . 1 1 144 144 SER C C 144 175.300 175.300 174.125 1.175 19438 7369 1 9 . 1 1 144 144 SER CA C 144 59.190 59.190 57.575 1.615 19438 7370 1 9 . 1 1 144 144 SER CB C 144 63.770 63.770 63.791 -0.021 19438 7371 1 9 . 1 1 144 144 SER H H 144 8.298 8.298 8.420 -0.122 19438 7372 1 9 . 1 1 145 145 THR N N 145 114.870 114.870 121.109 -6.239 19438 7373 1 9 . 1 1 145 145 THR HA H 145 4.419 4.419 4.235 0.184 19438 7374 1 9 . 1 1 145 145 THR C C 145 175.070 175.070 174.096 0.974 19438 7375 1 9 . 1 1 145 145 THR CA C 145 62.880 62.880 62.924 -0.044 19438 7376 1 9 . 1 1 145 145 THR CB C 145 69.710 69.710 68.591 1.119 19438 7377 1 9 . 1 1 145 145 THR H H 145 8.208 8.208 8.126 0.082 19438 7378 1 9 . 1 1 146 146 ARG N N 146 122.450 122.450 129.548 -7.098 19438 7379 1 9 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.592 -0.210 19438 7380 1 9 . 1 1 146 146 ARG C C 146 176.570 176.570 176.146 0.424 19438 7381 1 9 . 1 1 146 146 ARG CA C 146 56.350 56.350 55.375 0.975 19438 7382 1 9 . 1 1 146 146 ARG CB C 146 30.620 30.620 29.791 0.829 19438 7383 1 9 . 1 1 146 146 ARG H H 146 8.122 8.122 8.170 -0.048 19438 7384 1 9 . 1 1 147 147 THR N N 147 113.830 113.830 116.706 -2.876 19438 7385 1 9 . 1 1 147 147 THR HA H 147 4.400 4.400 4.443 -0.043 19438 7386 1 9 . 1 1 147 147 THR C C 147 175.200 175.200 174.931 0.269 19438 7387 1 9 . 1 1 147 147 THR CA C 147 62.110 62.110 62.480 -0.370 19438 7388 1 9 . 1 1 147 147 THR CB C 147 69.950 69.950 69.026 0.923 19438 7389 1 9 . 1 1 147 147 THR H H 147 8.039 8.039 8.253 -0.214 19438 7390 1 10 . 1 1 2 2 LYS N N 2 124.740 124.740 122.157 2.583 19438 7391 1 10 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.993 -0.183 19438 7392 1 10 . 1 1 2 2 LYS C C 2 173.640 173.640 174.791 -1.151 19438 7393 1 10 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.644 -1.684 19438 7394 1 10 . 1 1 2 2 LYS CB C 2 34.850 34.850 36.122 -1.272 19438 7395 1 10 . 1 1 2 2 LYS H H 2 8.620 8.620 8.649 -0.029 19438 7396 1 10 . 1 1 3 3 TYR N N 3 114.840 114.840 121.455 -6.615 19438 7397 1 10 . 1 1 3 3 TYR HA H 3 5.252 5.252 4.934 0.318 19438 7398 1 10 . 1 1 3 3 TYR C C 3 174.920 174.920 174.652 0.268 19438 7399 1 10 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.052 0.308 19438 7400 1 10 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.858 1.312 19438 7401 1 10 . 1 1 3 3 TYR H H 3 8.927 8.927 9.521 -0.594 19438 7402 1 10 . 1 1 4 4 ASP N N 4 119.790 119.790 122.486 -2.696 19438 7403 1 10 . 1 1 4 4 ASP HA H 4 5.479 5.479 5.096 0.383 19438 7404 1 10 . 1 1 4 4 ASP C C 4 175.780 175.780 174.896 0.884 19438 7405 1 10 . 1 1 4 4 ASP CA C 4 52.900 52.900 52.841 0.059 19438 7406 1 10 . 1 1 4 4 ASP CB C 4 43.970 43.970 42.462 1.508 19438 7407 1 10 . 1 1 4 4 ASP H H 4 9.170 9.170 9.223 -0.053 19438 7408 1 10 . 1 1 5 5 VAL N N 5 122.030 122.030 127.578 -5.548 19438 7409 1 10 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.796 -0.074 19438 7410 1 10 . 1 1 5 5 VAL C C 5 174.520 174.520 173.848 0.672 19438 7411 1 10 . 1 1 5 5 VAL CA C 5 62.100 62.100 60.797 1.303 19438 7412 1 10 . 1 1 5 5 VAL CB C 5 31.720 31.720 33.903 -2.183 19438 7413 1 10 . 1 1 5 5 VAL H H 5 8.733 8.733 9.063 -0.330 19438 7414 1 10 . 1 1 6 6 VAL N N 6 128.380 128.380 130.545 -2.165 19438 7415 1 10 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.765 -0.119 19438 7416 1 10 . 1 1 6 6 VAL C C 6 174.330 174.330 174.229 0.101 19438 7417 1 10 . 1 1 6 6 VAL CA C 6 61.750 61.750 60.655 1.095 19438 7418 1 10 . 1 1 6 6 VAL CB C 6 34.060 34.060 32.898 1.162 19438 7419 1 10 . 1 1 6 6 VAL H H 6 9.338 9.338 9.039 0.299 19438 7420 1 10 . 1 1 7 7 ILE N N 7 127.540 127.540 129.491 -1.951 19438 7421 1 10 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.297 -0.137 19438 7422 1 10 . 1 1 7 7 ILE C C 7 175.260 175.260 174.000 1.260 19438 7423 1 10 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.468 1.742 19438 7424 1 10 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.630 -0.530 19438 7425 1 10 . 1 1 7 7 ILE H H 7 9.295 9.295 9.198 0.097 19438 7426 1 10 . 1 1 8 8 ILE N N 8 126.500 126.500 129.636 -3.136 19438 7427 1 10 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.657 0.105 19438 7428 1 10 . 1 1 8 8 ILE CA C 8 58.790 58.790 58.097 0.693 19438 7429 1 10 . 1 1 8 8 ILE CB C 8 41.100 41.100 39.018 2.082 19438 7430 1 10 . 1 1 8 8 ILE H H 8 9.573 9.573 9.183 0.390 19438 7431 1 10 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.605 -0.280 19438 7432 1 10 . 1 1 9 9 PRO C C 9 174.390 174.390 175.852 -1.462 19438 7433 1 10 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.253 -0.183 19438 7434 1 10 . 1 1 9 9 PRO CB C 9 31.600 31.600 32.628 -1.028 19438 7435 1 10 . 1 1 10 10 GLU N N 10 120.480 120.480 120.196 0.284 19438 7436 1 10 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.664 0.109 19438 7437 1 10 . 1 1 10 10 GLU C C 10 174.950 174.950 175.239 -0.289 19438 7438 1 10 . 1 1 10 10 GLU CA C 10 55.600 55.600 55.423 0.177 19438 7439 1 10 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.319 0.661 19438 7440 1 10 . 1 1 10 10 GLU H H 10 9.218 9.218 9.037 0.181 19438 7441 1 10 . 1 1 11 11 SER N N 11 117.470 117.470 120.058 -2.588 19438 7442 1 10 . 1 1 11 11 SER HA H 11 4.686 4.686 4.781 -0.095 19438 7443 1 10 . 1 1 11 11 SER C C 11 174.460 174.460 174.868 -0.408 19438 7444 1 10 . 1 1 11 11 SER CA C 11 57.490 57.490 58.423 -0.933 19438 7445 1 10 . 1 1 11 11 SER CB C 11 64.820 64.820 63.514 1.306 19438 7446 1 10 . 1 1 11 11 SER H H 11 8.595 8.595 8.277 0.318 19438 7447 1 10 . 1 1 12 12 PHE N N 12 122.760 122.760 125.453 -2.693 19438 7448 1 10 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.435 0.236 19438 7449 1 10 . 1 1 12 12 PHE C C 12 175.440 175.440 174.310 1.130 19438 7450 1 10 . 1 1 12 12 PHE CA C 12 58.580 58.580 57.211 1.369 19438 7451 1 10 . 1 1 12 12 PHE CB C 12 39.940 39.940 38.286 1.654 19438 7452 1 10 . 1 1 12 12 PHE H H 12 8.298 8.298 8.219 0.079 19438 7453 1 10 . 1 1 13 13 HIS N N 13 120.600 120.600 123.527 -2.927 19438 7454 1 10 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.722 -0.107 19438 7455 1 10 . 1 1 13 13 HIS C C 13 174.530 174.530 173.477 1.053 19438 7456 1 10 . 1 1 13 13 HIS CA C 13 55.610 55.610 54.419 1.191 19438 7457 1 10 . 1 1 13 13 HIS CB C 13 31.000 31.000 33.793 -2.793 19438 7458 1 10 . 1 1 13 13 HIS H H 13 8.243 8.243 8.049 0.194 19438 7459 1 10 . 1 1 14 14 ARG N N 14 122.290 122.290 121.435 0.855 19438 7460 1 10 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.477 -0.258 19438 7461 1 10 . 1 1 14 14 ARG C C 14 176.070 176.070 175.709 0.361 19438 7462 1 10 . 1 1 14 14 ARG CA C 14 56.580 56.580 54.959 1.621 19438 7463 1 10 . 1 1 14 14 ARG CB C 14 30.790 30.790 30.926 -0.136 19438 7464 1 10 . 1 1 14 14 ARG H H 14 8.320 8.320 8.712 -0.392 19438 7465 1 10 . 1 1 15 15 PHE N N 15 120.220 120.220 124.913 -4.693 19438 7466 1 10 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.477 0.219 19438 7467 1 10 . 1 1 15 15 PHE C C 15 175.550 175.550 176.507 -0.957 19438 7468 1 10 . 1 1 15 15 PHE CA C 15 57.630 57.630 59.323 -1.693 19438 7469 1 10 . 1 1 15 15 PHE CB C 15 39.920 39.920 38.373 1.547 19438 7470 1 10 . 1 1 15 15 PHE H H 15 8.409 8.409 8.820 -0.411 19438 7471 1 10 . 1 1 16 16 ASP N N 16 121.370 121.370 126.994 -5.624 19438 7472 1 10 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.567 -0.016 19438 7473 1 10 . 1 1 16 16 ASP C C 16 176.590 176.590 177.035 -0.445 19438 7474 1 10 . 1 1 16 16 ASP CA C 16 54.180 54.180 56.297 -2.117 19438 7475 1 10 . 1 1 16 16 ASP CB C 16 41.410 41.410 41.948 -0.538 19438 7476 1 10 . 1 1 16 16 ASP H H 16 8.397 8.397 8.453 -0.056 19438 7477 1 10 . 1 1 17 17 LYS N N 17 119.880 119.880 116.911 2.969 19438 7478 1 10 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.301 -0.134 19438 7479 1 10 . 1 1 17 17 LYS C C 17 176.550 176.550 176.375 0.175 19438 7480 1 10 . 1 1 17 17 LYS CA C 17 57.110 57.110 57.214 -0.104 19438 7481 1 10 . 1 1 17 17 LYS CB C 17 32.420 32.420 33.892 -1.472 19438 7482 1 10 . 1 1 17 17 LYS H H 17 8.188 8.188 8.172 0.016 19438 7483 1 10 . 1 1 18 18 HIS N N 18 118.390 118.390 115.515 2.875 19438 7484 1 10 . 1 1 18 18 HIS HA H 18 4.650 4.650 5.114 -0.464 19438 7485 1 10 . 1 1 18 18 HIS C C 18 175.020 175.020 173.526 1.494 19438 7486 1 10 . 1 1 18 18 HIS CA C 18 56.260 56.260 54.910 1.350 19438 7487 1 10 . 1 1 18 18 HIS CB C 18 30.010 30.010 30.421 -0.411 19438 7488 1 10 . 1 1 18 18 HIS H H 18 8.339 8.339 7.958 0.381 19438 7489 1 10 . 1 1 19 19 ASN N N 19 118.700 118.700 118.198 0.502 19438 7490 1 10 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.780 -0.108 19438 7491 1 10 . 1 1 19 19 ASN C C 19 175.170 175.170 174.394 0.776 19438 7492 1 10 . 1 1 19 19 ASN CA C 19 53.800 53.800 52.264 1.536 19438 7493 1 10 . 1 1 19 19 ASN CB C 19 38.730 38.730 41.068 -2.338 19438 7494 1 10 . 1 1 19 19 ASN H H 19 8.287 8.287 7.776 0.511 19438 7495 1 10 . 1 1 20 20 MET N N 20 120.140 120.140 117.201 2.939 19438 7496 1 10 . 1 1 20 20 MET HA H 20 4.475 4.475 4.003 0.472 19438 7497 1 10 . 1 1 20 20 MET C C 20 176.470 176.470 173.847 2.623 19438 7498 1 10 . 1 1 20 20 MET CA C 20 55.640 55.640 56.114 -0.474 19438 7499 1 10 . 1 1 20 20 MET CB C 20 33.500 33.500 30.385 3.115 19438 7500 1 10 . 1 1 20 20 MET H H 20 8.495 8.495 8.490 0.005 19438 7501 1 10 . 1 1 21 21 GLU N N 21 120.920 120.920 116.806 4.114 19438 7502 1 10 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.547 -0.346 19438 7503 1 10 . 1 1 21 21 GLU C C 21 176.380 176.380 174.131 2.249 19438 7504 1 10 . 1 1 21 21 GLU CA C 21 57.330 57.330 54.864 2.466 19438 7505 1 10 . 1 1 21 21 GLU CB C 21 30.080 30.080 31.390 -1.310 19438 7506 1 10 . 1 1 21 21 GLU H H 21 8.450 8.450 7.524 0.926 19438 7507 1 10 . 1 1 22 22 HIS N N 22 119.650 119.650 126.172 -6.522 19438 7508 1 10 . 1 1 22 22 HIS HA H 22 4.687 4.687 5.576 -0.889 19438 7509 1 10 . 1 1 22 22 HIS C C 22 174.470 174.470 173.441 1.029 19438 7510 1 10 . 1 1 22 22 HIS CA C 22 55.980 55.980 54.574 1.406 19438 7511 1 10 . 1 1 22 22 HIS CB C 22 30.530 30.530 30.547 -0.017 19438 7512 1 10 . 1 1 22 22 HIS H H 22 8.334 8.334 8.557 -0.223 19438 7513 1 10 . 1 1 23 23 ILE N N 23 121.910 121.910 126.262 -4.352 19438 7514 1 10 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.299 -0.148 19438 7515 1 10 . 1 1 23 23 ILE C C 23 175.870 175.870 175.040 0.830 19438 7516 1 10 . 1 1 23 23 ILE CA C 23 61.170 61.170 58.660 2.510 19438 7517 1 10 . 1 1 23 23 ILE CB C 23 38.850 38.850 39.912 -1.062 19438 7518 1 10 . 1 1 23 23 ILE H H 23 7.782 7.782 8.049 -0.267 19438 7519 1 10 . 1 1 24 24 CYS N N 24 124.920 124.920 127.073 -2.153 19438 7520 1 10 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.865 -0.071 19438 7521 1 10 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.347 -3.217 19438 7522 1 10 . 1 1 24 24 CYS CB C 24 42.470 42.470 28.823 13.647 19438 7523 1 10 . 1 1 24 24 CYS H H 24 8.697 8.697 8.264 0.433 19438 7524 1 10 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.634 0.096 19438 7525 1 10 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.434 0.320 19438 7526 1 10 . 1 1 26 26 PRO C C 26 175.820 175.820 176.316 -0.496 19438 7527 1 10 . 1 1 26 26 PRO CA C 26 62.580 62.580 63.225 -0.645 19438 7528 1 10 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.264 0.326 19438 7529 1 10 . 1 1 27 27 MET N N 27 120.580 120.580 123.850 -3.270 19438 7530 1 10 . 1 1 27 27 MET HA H 27 5.180 5.180 4.894 0.286 19438 7531 1 10 . 1 1 27 27 MET C C 27 174.810 174.810 175.145 -0.335 19438 7532 1 10 . 1 1 27 27 MET CA C 27 53.270 53.270 55.574 -2.304 19438 7533 1 10 . 1 1 27 27 MET CB C 27 34.580 34.580 34.568 0.012 19438 7534 1 10 . 1 1 27 27 MET H H 27 9.055 9.055 8.982 0.073 19438 7535 1 10 . 1 1 28 28 VAL N N 28 122.030 122.030 122.299 -0.269 19438 7536 1 10 . 1 1 28 28 VAL HA H 28 5.093 5.093 5.190 -0.097 19438 7537 1 10 . 1 1 28 28 VAL C C 28 175.710 175.710 174.710 1.000 19438 7538 1 10 . 1 1 28 28 VAL CA C 28 60.650 60.650 60.759 -0.109 19438 7539 1 10 . 1 1 28 28 VAL CB C 28 35.470 35.470 35.266 0.204 19438 7540 1 10 . 1 1 28 28 VAL H H 28 8.575 8.575 8.467 0.108 19438 7541 1 10 . 1 1 29 29 ILE N N 29 129.440 129.440 125.540 3.900 19438 7542 1 10 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.505 -0.139 19438 7543 1 10 . 1 1 29 29 ILE C C 29 176.490 176.490 174.441 2.049 19438 7544 1 10 . 1 1 29 29 ILE CA C 29 61.260 61.260 60.820 0.440 19438 7545 1 10 . 1 1 29 29 ILE CB C 29 37.960 37.960 40.654 -2.694 19438 7546 1 10 . 1 1 29 29 ILE H H 29 9.200 9.200 9.060 0.140 19438 7547 1 10 . 1 1 30 30 GLY N N 30 112.580 112.580 114.134 -1.554 19438 7548 1 10 . 1 1 30 30 GLY C C 30 175.350 175.350 173.930 1.420 19438 7549 1 10 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.597 1.513 19438 7550 1 10 . 1 1 30 30 GLY H H 30 8.525 8.525 8.836 -0.311 19438 7551 1 10 . 1 1 31 31 ASP N N 31 121.320 121.320 119.736 1.584 19438 7552 1 10 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.546 -0.443 19438 7553 1 10 . 1 1 31 31 ASP C C 31 175.530 175.530 174.830 0.700 19438 7554 1 10 . 1 1 31 31 ASP CA C 31 55.530 55.530 53.924 1.606 19438 7555 1 10 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.162 -1.542 19438 7556 1 10 . 1 1 31 31 ASP H H 31 9.133 9.133 7.928 1.205 19438 7557 1 10 . 1 1 32 32 ARG N N 32 117.600 117.600 121.200 -3.600 19438 7558 1 10 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.806 0.225 19438 7559 1 10 . 1 1 32 32 ARG C C 32 177.060 177.060 175.143 1.917 19438 7560 1 10 . 1 1 32 32 ARG CA C 32 52.790 52.790 54.611 -1.821 19438 7561 1 10 . 1 1 32 32 ARG CB C 32 34.650 34.650 32.855 1.794 19438 7562 1 10 . 1 1 32 32 ARG H H 32 9.529 9.529 7.897 1.632 19438 7563 1 10 . 1 1 33 33 SER N N 33 116.150 116.150 121.647 -5.497 19438 7564 1 10 . 1 1 33 33 SER HA H 33 4.819 4.819 4.951 -0.132 19438 7565 1 10 . 1 1 33 33 SER C C 33 174.290 174.290 175.102 -0.812 19438 7566 1 10 . 1 1 33 33 SER CA C 33 58.130 58.130 57.715 0.415 19438 7567 1 10 . 1 1 33 33 SER CB C 33 64.530 64.530 64.632 -0.102 19438 7568 1 10 . 1 1 33 33 SER H H 33 8.400 8.400 8.781 -0.381 19438 7569 1 10 . 1 1 34 34 TYR N N 34 122.110 122.110 122.968 -0.858 19438 7570 1 10 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.555 -0.170 19438 7571 1 10 . 1 1 34 34 TYR C C 34 176.280 176.280 176.770 -0.490 19438 7572 1 10 . 1 1 34 34 TYR CA C 34 63.060 63.060 62.899 0.161 19438 7573 1 10 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.314 0.036 19438 7574 1 10 . 1 1 34 34 TYR H H 34 9.456 9.456 9.140 0.316 19438 7575 1 10 . 1 1 35 35 ASP N N 35 114.640 114.640 117.674 -3.034 19438 7576 1 10 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.221 -0.155 19438 7577 1 10 . 1 1 35 35 ASP C C 35 179.460 179.460 178.132 1.328 19438 7578 1 10 . 1 1 35 35 ASP CA C 35 57.380 57.380 56.801 0.579 19438 7579 1 10 . 1 1 35 35 ASP CB C 35 39.840 39.840 39.783 0.057 19438 7580 1 10 . 1 1 35 35 ASP H H 35 8.611 8.611 8.707 -0.096 19438 7581 1 10 . 1 1 36 36 ILE N N 36 120.860 120.860 120.717 0.143 19438 7582 1 10 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.903 -0.055 19438 7583 1 10 . 1 1 36 36 ILE C C 36 178.000 178.000 177.527 0.473 19438 7584 1 10 . 1 1 36 36 ILE CA C 36 62.660 62.660 63.495 -0.835 19438 7585 1 10 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.852 -1.152 19438 7586 1 10 . 1 1 36 36 ILE H H 36 7.298 7.298 7.220 0.078 19438 7587 1 10 . 1 1 37 37 ALA N N 37 123.260 123.260 124.005 -0.745 19438 7588 1 10 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.971 -0.239 19438 7589 1 10 . 1 1 37 37 ALA C C 37 179.720 179.720 179.643 0.077 19438 7590 1 10 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.462 0.258 19438 7591 1 10 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.215 -0.235 19438 7592 1 10 . 1 1 37 37 ALA H H 37 8.906 8.906 8.695 0.211 19438 7593 1 10 . 1 1 38 38 MET N N 38 114.900 114.900 117.039 -2.139 19438 7594 1 10 . 1 1 38 38 MET HA H 38 4.282 4.282 4.014 0.268 19438 7595 1 10 . 1 1 38 38 MET C C 38 178.940 178.940 178.396 0.544 19438 7596 1 10 . 1 1 38 38 MET CA C 38 55.940 55.940 57.410 -1.470 19438 7597 1 10 . 1 1 38 38 MET CB C 38 29.570 29.570 31.178 -1.608 19438 7598 1 10 . 1 1 38 38 MET H H 38 8.237 8.237 8.156 0.081 19438 7599 1 10 . 1 1 39 39 GLU N N 39 120.020 120.020 120.870 -0.850 19438 7600 1 10 . 1 1 39 39 GLU HA H 39 4.101 4.101 4.014 0.087 19438 7601 1 10 . 1 1 39 39 GLU C C 39 180.880 180.880 179.127 1.753 19438 7602 1 10 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.386 0.244 19438 7603 1 10 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.677 -0.627 19438 7604 1 10 . 1 1 39 39 GLU H H 39 7.517 7.517 7.484 0.033 19438 7605 1 10 . 1 1 40 40 ILE N N 40 122.000 122.000 120.583 1.417 19438 7606 1 10 . 1 1 40 40 ILE HA H 40 3.710 3.710 3.976 -0.266 19438 7607 1 10 . 1 1 40 40 ILE C C 40 177.890 177.890 177.649 0.241 19438 7608 1 10 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.815 0.425 19438 7609 1 10 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.353 -1.453 19438 7610 1 10 . 1 1 40 40 ILE H H 40 8.220 8.220 8.227 -0.007 19438 7611 1 10 . 1 1 41 41 VAL N N 41 120.760 120.760 120.583 0.177 19438 7612 1 10 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.516 -0.130 19438 7613 1 10 . 1 1 41 41 VAL C C 41 179.090 179.090 177.672 1.418 19438 7614 1 10 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.070 0.790 19438 7615 1 10 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.335 -0.005 19438 7616 1 10 . 1 1 41 41 VAL H H 41 8.737 8.737 8.523 0.214 19438 7617 1 10 . 1 1 42 42 ASN N N 42 119.950 119.950 118.802 1.148 19438 7618 1 10 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.485 0.122 19438 7619 1 10 . 1 1 42 42 ASN C C 42 178.080 178.080 177.615 0.465 19438 7620 1 10 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.833 -0.953 19438 7621 1 10 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.478 -0.988 19438 7622 1 10 . 1 1 42 42 ASN H H 42 8.542 8.542 8.546 -0.004 19438 7623 1 10 . 1 1 43 43 GLY N N 43 112.070 112.070 109.243 2.827 19438 7624 1 10 . 1 1 43 43 GLY C C 43 176.070 176.070 176.659 -0.589 19438 7625 1 10 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.313 0.277 19438 7626 1 10 . 1 1 43 43 GLY H H 43 8.387 8.387 8.146 0.241 19438 7627 1 10 . 1 1 44 44 VAL N N 44 122.900 122.900 122.547 0.353 19438 7628 1 10 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.631 -0.104 19438 7629 1 10 . 1 1 44 44 VAL C C 44 176.700 176.700 177.390 -0.690 19438 7630 1 10 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.148 0.692 19438 7631 1 10 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.113 0.137 19438 7632 1 10 . 1 1 44 44 VAL H H 44 9.078 9.078 8.573 0.505 19438 7633 1 10 . 1 1 45 45 ASP N N 45 119.070 119.070 119.969 -0.899 19438 7634 1 10 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.240 -0.048 19438 7635 1 10 . 1 1 45 45 ASP C C 45 176.540 176.540 178.435 -1.895 19438 7636 1 10 . 1 1 45 45 ASP CA C 45 58.490 58.490 57.955 0.535 19438 7637 1 10 . 1 1 45 45 ASP CB C 45 42.940 42.940 41.096 1.845 19438 7638 1 10 . 1 1 45 45 ASP H H 45 7.745 7.745 8.396 -0.651 19438 7639 1 10 . 1 1 46 46 ARG N N 46 115.750 115.750 119.270 -3.520 19438 7640 1 10 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.183 -0.189 19438 7641 1 10 . 1 1 46 46 ARG C C 46 179.760 179.760 178.862 0.898 19438 7642 1 10 . 1 1 46 46 ARG CA C 46 59.630 59.630 59.082 0.548 19438 7643 1 10 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.447 -0.257 19438 7644 1 10 . 1 1 46 46 ARG H H 46 7.557 7.557 7.811 -0.254 19438 7645 1 10 . 1 1 47 47 VAL N N 47 118.740 118.740 120.202 -1.462 19438 7646 1 10 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.708 0.204 19438 7647 1 10 . 1 1 47 47 VAL C C 47 179.150 179.150 178.208 0.942 19438 7648 1 10 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.557 -0.517 19438 7649 1 10 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.904 -0.134 19438 7650 1 10 . 1 1 47 47 VAL H H 47 8.187 8.187 8.060 0.127 19438 7651 1 10 . 1 1 48 48 ILE N N 48 122.340 122.340 119.951 2.389 19438 7652 1 10 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.771 -0.073 19438 7653 1 10 . 1 1 48 48 ILE C C 48 178.130 178.130 177.799 0.331 19438 7654 1 10 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.685 0.955 19438 7655 1 10 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.434 -0.804 19438 7656 1 10 . 1 1 48 48 ILE H H 48 8.786 8.786 8.541 0.245 19438 7657 1 10 . 1 1 49 49 LYS N N 49 116.860 116.860 119.945 -3.085 19438 7658 1 10 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.164 -0.105 19438 7659 1 10 . 1 1 49 49 LYS C C 49 178.120 178.120 177.650 0.470 19438 7660 1 10 . 1 1 49 49 LYS CA C 49 60.270 60.270 59.184 1.087 19438 7661 1 10 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.560 0.540 19438 7662 1 10 . 1 1 49 49 LYS H H 49 7.785 7.785 8.088 -0.303 19438 7663 1 10 . 1 1 50 50 ALA N N 50 117.520 117.520 119.159 -1.639 19438 7664 1 10 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.477 -0.121 19438 7665 1 10 . 1 1 50 50 ALA C C 50 179.940 179.940 178.177 1.763 19438 7666 1 10 . 1 1 50 50 ALA CA C 50 53.960 53.960 53.605 0.355 19438 7667 1 10 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.184 0.176 19438 7668 1 10 . 1 1 50 50 ALA H H 50 7.740 7.740 7.754 -0.014 19438 7669 1 10 . 1 1 51 51 SER N N 51 111.860 111.860 112.828 -0.968 19438 7670 1 10 . 1 1 51 51 SER HA H 51 4.287 4.287 4.680 -0.393 19438 7671 1 10 . 1 1 51 51 SER C C 51 172.840 172.840 173.649 -0.809 19438 7672 1 10 . 1 1 51 51 SER CA C 51 60.610 60.610 60.112 0.498 19438 7673 1 10 . 1 1 51 51 SER CB C 51 64.500 64.500 65.218 -0.718 19438 7674 1 10 . 1 1 51 51 SER H H 51 7.957 7.957 8.200 -0.243 19438 7675 1 10 . 1 1 52 52 PHE N N 52 116.210 116.210 118.704 -2.494 19438 7676 1 10 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.674 0.103 19438 7677 1 10 . 1 1 52 52 PHE C C 52 174.210 174.210 173.932 0.278 19438 7678 1 10 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.390 -0.100 19438 7679 1 10 . 1 1 52 52 PHE CB C 52 42.580 42.580 42.033 0.547 19438 7680 1 10 . 1 1 52 52 PHE H H 52 7.901 7.901 8.175 -0.274 19438 7681 1 10 . 1 1 53 53 ASN N N 53 117.890 117.890 119.807 -1.917 19438 7682 1 10 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.840 0.062 19438 7683 1 10 . 1 1 53 53 ASN C C 53 175.120 175.120 174.141 0.979 19438 7684 1 10 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.116 1.834 19438 7685 1 10 . 1 1 53 53 ASN CB C 53 37.550 37.550 38.631 -1.081 19438 7686 1 10 . 1 1 53 53 ASN H H 53 8.205 8.205 8.883 -0.678 19438 7687 1 10 . 1 1 54 54 ALA N N 54 125.300 125.300 128.003 -2.703 19438 7688 1 10 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.305 0.136 19438 7689 1 10 . 1 1 54 54 ALA C C 54 176.800 176.800 176.697 0.103 19438 7690 1 10 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.361 1.199 19438 7691 1 10 . 1 1 54 54 ALA CB C 54 24.080 24.080 21.531 2.549 19438 7692 1 10 . 1 1 54 54 ALA H H 54 8.246 8.246 7.998 0.248 19438 7693 1 10 . 1 1 55 55 SER N N 55 115.850 115.850 119.512 -3.662 19438 7694 1 10 . 1 1 55 55 SER HA H 55 4.789 4.789 4.766 0.023 19438 7695 1 10 . 1 1 55 55 SER C C 55 172.830 172.830 173.419 -0.589 19438 7696 1 10 . 1 1 55 55 SER CA C 55 57.200 57.200 57.575 -0.375 19438 7697 1 10 . 1 1 55 55 SER CB C 55 65.460 65.460 65.014 0.446 19438 7698 1 10 . 1 1 55 55 SER H H 55 8.606 8.606 8.978 -0.372 19438 7699 1 10 . 1 1 56 56 VAL N N 56 121.700 121.700 126.874 -5.174 19438 7700 1 10 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.496 0.298 19438 7701 1 10 . 1 1 56 56 VAL C C 56 173.160 173.160 174.928 -1.768 19438 7702 1 10 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.818 -0.808 19438 7703 1 10 . 1 1 56 56 VAL CB C 56 35.570 35.570 33.828 1.742 19438 7704 1 10 . 1 1 56 56 VAL H H 56 8.648 8.648 8.773 -0.125 19438 7705 1 10 . 1 1 57 57 GLU N N 57 126.130 126.130 130.102 -3.972 19438 7706 1 10 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.637 -0.125 19438 7707 1 10 . 1 1 57 57 GLU C C 57 174.090 174.090 174.854 -0.764 19438 7708 1 10 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.692 -0.142 19438 7709 1 10 . 1 1 57 57 GLU CB C 57 33.910 33.910 32.163 1.747 19438 7710 1 10 . 1 1 57 57 GLU H H 57 8.122 8.122 9.151 -1.029 19438 7711 1 10 . 1 1 58 58 GLU N N 58 124.740 124.740 125.929 -1.189 19438 7712 1 10 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.491 0.196 19438 7713 1 10 . 1 1 58 58 GLU C C 58 175.410 175.410 175.669 -0.259 19438 7714 1 10 . 1 1 58 58 GLU CA C 58 55.990 55.990 56.166 -0.176 19438 7715 1 10 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.516 -0.186 19438 7716 1 10 . 1 1 58 58 GLU H H 58 8.610 8.610 8.774 -0.164 19438 7717 1 10 . 1 1 59 59 LEU N N 59 126.780 126.780 125.669 1.111 19438 7718 1 10 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.750 -0.039 19438 7719 1 10 . 1 1 59 59 LEU C C 59 175.970 175.970 175.970 0.000 19438 7720 1 10 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.353 0.426 19438 7721 1 10 . 1 1 59 59 LEU CB C 59 45.320 45.320 45.540 -0.220 19438 7722 1 10 . 1 1 59 59 LEU H H 59 8.259 8.259 8.934 -0.675 19438 7723 1 10 . 1 1 60 60 GLU N N 60 119.810 119.810 119.073 0.737 19438 7724 1 10 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.532 -0.184 19438 7725 1 10 . 1 1 60 60 GLU C C 60 177.560 177.560 175.752 1.808 19438 7726 1 10 . 1 1 60 60 GLU CA C 60 57.340 57.340 55.073 2.267 19438 7727 1 10 . 1 1 60 60 GLU CB C 60 30.260 30.260 30.984 -0.724 19438 7728 1 10 . 1 1 60 60 GLU H H 60 8.258 8.258 8.353 -0.095 19438 7729 1 10 . 1 1 61 61 GLY N N 61 117.720 117.720 108.800 8.920 19438 7730 1 10 . 1 1 61 61 GLY C C 61 174.320 174.320 173.420 0.900 19438 7731 1 10 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.056 0.514 19438 7732 1 10 . 1 1 61 61 GLY H H 61 8.726 8.726 8.582 0.144 19438 7733 1 10 . 1 1 62 62 GLU N N 62 121.700 121.700 119.054 2.646 19438 7734 1 10 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.223 0.308 19438 7735 1 10 . 1 1 62 62 GLU C C 62 177.690 177.690 178.338 -0.648 19438 7736 1 10 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.330 -0.779 19438 7737 1 10 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.770 0.530 19438 7738 1 10 . 1 1 62 62 GLU H H 62 9.337 9.337 8.349 0.988 19438 7739 1 10 . 1 1 63 63 ASP N N 63 120.760 120.760 119.977 0.783 19438 7740 1 10 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.337 -0.007 19438 7741 1 10 . 1 1 63 63 ASP C C 63 178.080 178.080 176.620 1.460 19438 7742 1 10 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.157 0.773 19438 7743 1 10 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.789 -0.019 19438 7744 1 10 . 1 1 63 63 ASP H H 63 8.632 8.632 8.888 -0.256 19438 7745 1 10 . 1 1 64 64 CYS N N 64 113.520 113.520 115.100 -1.580 19438 7746 1 10 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.425 0.007 19438 7747 1 10 . 1 1 64 64 CYS C C 64 173.700 173.700 174.488 -0.788 19438 7748 1 10 . 1 1 64 64 CYS CA C 64 57.170 57.170 58.358 -1.188 19438 7749 1 10 . 1 1 64 64 CYS CB C 64 41.210 41.210 26.492 14.718 19438 7750 1 10 . 1 1 64 64 CYS H H 64 7.962 7.962 8.297 -0.335 19438 7751 1 10 . 1 1 65 65 ASP N N 65 120.200 120.200 121.584 -1.384 19438 7752 1 10 . 1 1 65 65 ASP HA H 65 5.190 5.190 5.071 0.119 19438 7753 1 10 . 1 1 65 65 ASP C C 65 176.540 176.540 176.704 -0.164 19438 7754 1 10 . 1 1 65 65 ASP CA C 65 54.310 54.310 54.495 -0.185 19438 7755 1 10 . 1 1 65 65 ASP CB C 65 41.150 41.150 41.683 -0.533 19438 7756 1 10 . 1 1 65 65 ASP H H 65 7.936 7.936 7.929 0.007 19438 7757 1 10 . 1 1 66 66 VAL N N 66 122.070 122.070 123.041 -0.971 19438 7758 1 10 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.119 0.148 19438 7759 1 10 . 1 1 66 66 VAL C C 66 176.000 176.000 175.859 0.141 19438 7760 1 10 . 1 1 66 66 VAL CA C 66 63.190 63.190 63.707 -0.517 19438 7761 1 10 . 1 1 66 66 VAL CB C 66 32.430 32.430 32.674 -0.244 19438 7762 1 10 . 1 1 66 66 VAL H H 66 9.431 9.431 9.150 0.281 19438 7763 1 10 . 1 1 67 67 LEU N N 67 119.700 119.700 119.139 0.561 19438 7764 1 10 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.712 -0.073 19438 7765 1 10 . 1 1 67 67 LEU C C 67 174.400 174.400 173.708 0.692 19438 7766 1 10 . 1 1 67 67 LEU CA C 67 55.100 55.100 54.592 0.508 19438 7767 1 10 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.046 -0.026 19438 7768 1 10 . 1 1 67 67 LEU H H 67 7.625 7.625 7.493 0.132 19438 7769 1 10 . 1 1 68 68 TYR N N 68 126.330 126.330 127.475 -1.145 19438 7770 1 10 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.124 0.726 19438 7771 1 10 . 1 1 68 68 TYR C C 68 173.460 173.460 172.997 0.463 19438 7772 1 10 . 1 1 68 68 TYR CA C 68 54.660 54.660 56.301 -1.641 19438 7773 1 10 . 1 1 68 68 TYR CB C 68 38.140 38.140 40.563 -2.424 19438 7774 1 10 . 1 1 68 68 TYR H H 68 9.086 9.086 8.864 0.222 19438 7775 1 10 . 1 1 69 69 ARG N N 69 127.440 127.440 129.586 -2.146 19438 7776 1 10 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.001 -0.141 19438 7777 1 10 . 1 1 69 69 ARG C C 69 173.030 173.030 174.282 -1.252 19438 7778 1 10 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.545 -0.115 19438 7779 1 10 . 1 1 69 69 ARG CB C 69 35.030 35.030 32.876 2.154 19438 7780 1 10 . 1 1 69 69 ARG H H 69 9.569 9.569 9.354 0.215 19438 7781 1 10 . 1 1 70 70 LYS N N 70 122.850 122.850 127.878 -5.028 19438 7782 1 10 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.050 -0.045 19438 7783 1 10 . 1 1 70 70 LYS C C 70 175.830 175.830 174.630 1.200 19438 7784 1 10 . 1 1 70 70 LYS CA C 70 54.690 54.690 55.066 -0.376 19438 7785 1 10 . 1 1 70 70 LYS CB C 70 36.040 36.040 35.627 0.413 19438 7786 1 10 . 1 1 70 70 LYS H H 70 8.612 8.612 9.035 -0.423 19438 7787 1 10 . 1 1 71 71 TYR N N 71 129.420 129.420 124.883 4.537 19438 7788 1 10 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.299 0.003 19438 7789 1 10 . 1 1 71 71 TYR C C 71 175.710 175.710 175.358 0.352 19438 7790 1 10 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.207 0.753 19438 7791 1 10 . 1 1 71 71 TYR CB C 71 40.330 40.330 41.678 -1.348 19438 7792 1 10 . 1 1 71 71 TYR H H 71 9.762 9.762 9.352 0.410 19438 7793 1 10 . 1 1 72 72 THR N N 72 119.820 119.820 121.326 -1.506 19438 7794 1 10 . 1 1 72 72 THR HA H 72 4.707 4.707 4.684 0.023 19438 7795 1 10 . 1 1 72 72 THR C C 72 173.860 173.860 173.471 0.389 19438 7796 1 10 . 1 1 72 72 THR CA C 72 63.250 63.250 62.637 0.613 19438 7797 1 10 . 1 1 72 72 THR CB C 72 69.370 69.370 69.372 -0.002 19438 7798 1 10 . 1 1 72 72 THR H H 72 8.845 8.845 9.349 -0.504 19438 7799 1 10 . 1 1 73 73 LEU N N 73 125.420 125.420 128.223 -2.803 19438 7800 1 10 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.375 -0.246 19438 7801 1 10 . 1 1 73 73 LEU C C 73 175.760 175.760 175.686 0.074 19438 7802 1 10 . 1 1 73 73 LEU CA C 73 54.080 54.080 53.748 0.332 19438 7803 1 10 . 1 1 73 73 LEU CB C 73 45.350 45.350 43.507 1.843 19438 7804 1 10 . 1 1 73 73 LEU H H 73 8.929 8.929 9.435 -0.506 19438 7805 1 10 . 1 1 74 74 GLU N N 74 120.090 120.090 123.275 -3.185 19438 7806 1 10 . 1 1 74 74 GLU HA H 74 5.214 5.214 4.862 0.352 19438 7807 1 10 . 1 1 74 74 GLU C C 74 175.400 175.400 175.526 -0.126 19438 7808 1 10 . 1 1 74 74 GLU CA C 74 55.740 55.740 54.977 0.763 19438 7809 1 10 . 1 1 74 74 GLU CB C 74 33.040 33.040 31.125 1.915 19438 7810 1 10 . 1 1 74 74 GLU H H 74 8.311 8.311 8.876 -0.565 19438 7811 1 10 . 1 1 75 75 LYS N N 75 124.230 124.230 127.140 -2.910 19438 7812 1 10 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.394 0.079 19438 7813 1 10 . 1 1 75 75 LYS C C 75 175.380 175.380 175.438 -0.058 19438 7814 1 10 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.444 2.616 19438 7815 1 10 . 1 1 75 75 LYS CB C 75 35.740 35.740 31.249 4.491 19438 7816 1 10 . 1 1 75 75 LYS H H 75 8.691 8.691 9.049 -0.358 19438 7817 1 10 . 1 1 76 76 GLU N N 76 127.760 127.760 121.515 6.245 19438 7818 1 10 . 1 1 76 76 GLU HA H 76 3.903 3.903 3.905 -0.002 19438 7819 1 10 . 1 1 76 76 GLU C C 76 176.190 176.190 176.170 0.020 19438 7820 1 10 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.346 0.104 19438 7821 1 10 . 1 1 76 76 GLU CB C 76 27.830 27.830 28.404 -0.574 19438 7822 1 10 . 1 1 76 76 GLU H H 76 9.556 9.556 8.264 1.292 19438 7823 1 10 . 1 1 77 77 GLY N N 77 106.560 106.560 106.186 0.374 19438 7824 1 10 . 1 1 77 77 GLY C C 77 174.320 174.320 173.968 0.352 19438 7825 1 10 . 1 1 77 77 GLY CA C 77 45.640 45.640 45.114 0.526 19438 7826 1 10 . 1 1 77 77 GLY H H 77 8.928 8.928 9.069 -0.141 19438 7827 1 10 . 1 1 78 78 LYS N N 78 121.600 121.600 123.344 -1.744 19438 7828 1 10 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.491 0.094 19438 7829 1 10 . 1 1 78 78 LYS C C 78 175.240 175.240 174.858 0.382 19438 7830 1 10 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.393 -0.013 19438 7831 1 10 . 1 1 78 78 LYS CB C 78 33.490 33.490 33.295 0.195 19438 7832 1 10 . 1 1 78 78 LYS H H 78 8.015 8.015 7.519 0.496 19438 7833 1 10 . 1 1 79 79 LYS N N 79 120.990 120.990 122.801 -1.811 19438 7834 1 10 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.043 0.156 19438 7835 1 10 . 1 1 79 79 LYS C C 79 176.150 176.150 175.097 1.053 19438 7836 1 10 . 1 1 79 79 LYS CA C 79 55.070 55.070 53.905 1.165 19438 7837 1 10 . 1 1 79 79 LYS CB C 79 35.080 35.080 35.725 -0.645 19438 7838 1 10 . 1 1 79 79 LYS H H 79 8.438 8.438 8.397 0.041 19438 7839 1 10 . 1 1 80 80 GLY N N 80 107.840 107.840 108.386 -0.546 19438 7840 1 10 . 1 1 80 80 GLY C C 80 170.430 170.430 171.597 -1.167 19438 7841 1 10 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.319 -0.059 19438 7842 1 10 . 1 1 80 80 GLY H H 80 8.391 8.391 8.153 0.238 19438 7843 1 10 . 1 1 81 81 ILE N N 81 120.670 120.670 118.517 2.153 19438 7844 1 10 . 1 1 81 81 ILE HA H 81 5.282 5.282 4.979 0.303 19438 7845 1 10 . 1 1 81 81 ILE C C 81 175.210 175.210 174.495 0.715 19438 7846 1 10 . 1 1 81 81 ILE CA C 81 58.640 58.640 59.758 -1.118 19438 7847 1 10 . 1 1 81 81 ILE CB C 81 42.420 42.420 41.868 0.552 19438 7848 1 10 . 1 1 81 81 ILE H H 81 8.623 8.623 8.955 -0.332 19438 7849 1 10 . 1 1 82 82 VAL N N 82 121.970 121.970 124.247 -2.277 19438 7850 1 10 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.755 -0.041 19438 7851 1 10 . 1 1 82 82 VAL C C 82 174.230 174.230 174.686 -0.456 19438 7852 1 10 . 1 1 82 82 VAL CA C 82 61.010 61.010 61.197 -0.187 19438 7853 1 10 . 1 1 82 82 VAL CB C 82 35.260 35.260 33.671 1.589 19438 7854 1 10 . 1 1 82 82 VAL H H 82 8.967 8.967 9.124 -0.157 19438 7855 1 10 . 1 1 83 83 HIS N N 83 129.690 129.690 128.039 1.651 19438 7856 1 10 . 1 1 83 83 HIS HA H 83 5.219 5.219 4.908 0.311 19438 7857 1 10 . 1 1 83 83 HIS C C 83 174.960 174.960 174.074 0.886 19438 7858 1 10 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.957 0.483 19438 7859 1 10 . 1 1 83 83 HIS CB C 83 32.240 32.240 30.401 1.839 19438 7860 1 10 . 1 1 83 83 HIS H H 83 8.960 8.960 9.463 -0.503 19438 7861 1 10 . 1 1 84 84 VAL N N 84 125.620 125.620 127.950 -2.330 19438 7862 1 10 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.540 0.586 19438 7863 1 10 . 1 1 84 84 VAL C C 84 174.590 174.590 174.289 0.301 19438 7864 1 10 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.934 0.296 19438 7865 1 10 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.170 1.849 19438 7866 1 10 . 1 1 84 84 VAL H H 84 9.834 9.834 9.140 0.694 19438 7867 1 10 . 1 1 85 85 LYS N N 85 125.370 125.370 126.511 -1.141 19438 7868 1 10 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.286 0.178 19438 7869 1 10 . 1 1 85 85 LYS C C 85 174.890 174.890 174.815 0.075 19438 7870 1 10 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.582 0.628 19438 7871 1 10 . 1 1 85 85 LYS CB C 85 36.430 36.430 35.968 0.462 19438 7872 1 10 . 1 1 85 85 LYS H H 85 9.517 9.517 9.124 0.393 19438 7873 1 10 . 1 1 86 86 LEU N N 86 123.830 123.830 124.699 -0.869 19438 7874 1 10 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.714 0.433 19438 7875 1 10 . 1 1 86 86 LEU C C 86 174.760 174.760 175.237 -0.477 19438 7876 1 10 . 1 1 86 86 LEU CA C 86 54.210 54.210 54.032 0.178 19438 7877 1 10 . 1 1 86 86 LEU CB C 86 44.830 44.830 42.867 1.963 19438 7878 1 10 . 1 1 86 86 LEU H H 86 8.400 8.400 9.132 -0.732 19438 7879 1 10 . 1 1 87 87 ARG N N 87 128.610 128.610 125.503 3.107 19438 7880 1 10 . 1 1 87 87 ARG HA H 87 5.473 5.473 5.030 0.443 19438 7881 1 10 . 1 1 87 87 ARG C C 87 176.130 176.130 174.673 1.457 19438 7882 1 10 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.711 0.259 19438 7883 1 10 . 1 1 87 87 ARG CB C 87 34.230 34.230 33.453 0.777 19438 7884 1 10 . 1 1 87 87 ARG H H 87 9.647 9.647 9.118 0.529 19438 7885 1 10 . 1 1 88 88 LYS N N 88 122.810 122.810 127.499 -4.689 19438 7886 1 10 . 1 1 88 88 LYS HA H 88 4.138 4.138 3.739 0.399 19438 7887 1 10 . 1 1 88 88 LYS C C 88 174.890 174.890 175.254 -0.364 19438 7888 1 10 . 1 1 88 88 LYS CA C 88 56.330 56.330 55.224 1.106 19438 7889 1 10 . 1 1 88 88 LYS CB C 88 34.310 34.310 33.120 1.190 19438 7890 1 10 . 1 1 88 88 LYS H H 88 8.510 8.510 8.791 -0.281 19438 7891 1 10 . 1 1 89 89 ILE N N 89 120.880 120.880 129.734 -8.854 19438 7892 1 10 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.305 0.326 19438 7893 1 10 . 1 1 89 89 ILE C C 89 176.400 176.400 174.499 1.901 19438 7894 1 10 . 1 1 89 89 ILE CA C 89 60.670 60.670 60.847 -0.177 19438 7895 1 10 . 1 1 89 89 ILE CB C 89 36.720 36.720 38.328 -1.608 19438 7896 1 10 . 1 1 89 89 ILE H H 89 7.470 7.470 7.761 -0.291 19438 7897 1 10 . 1 1 90 90 THR N N 90 116.610 116.610 122.827 -6.217 19438 7898 1 10 . 1 1 90 90 THR HA H 90 4.700 4.700 4.686 0.014 19438 7899 1 10 . 1 1 90 90 THR CA C 90 59.100 59.100 59.742 -0.643 19438 7900 1 10 . 1 1 90 90 THR CB C 90 72.600 72.600 71.240 1.360 19438 7901 1 10 . 1 1 90 90 THR H H 90 7.701 7.701 8.112 -0.411 19438 7902 1 10 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.270 -0.240 19438 7903 1 10 . 1 1 91 91 GLU C C 91 177.100 177.100 177.229 -0.129 19438 7904 1 10 . 1 1 91 91 GLU CA C 91 59.640 59.640 57.909 1.731 19438 7905 1 10 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.672 -0.622 19438 7906 1 10 . 1 1 92 92 ASN N N 92 113.650 113.650 117.811 -4.161 19438 7907 1 10 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.675 0.025 19438 7908 1 10 . 1 1 92 92 ASN C C 92 174.100 174.100 174.026 0.074 19438 7909 1 10 . 1 1 92 92 ASN CA C 92 53.490 53.490 53.084 0.406 19438 7910 1 10 . 1 1 92 92 ASN CB C 92 39.270 39.270 39.271 -0.001 19438 7911 1 10 . 1 1 92 92 ASN H H 92 7.915 7.915 8.031 -0.116 19438 7912 1 10 . 1 1 93 93 CYS N N 93 120.190 120.190 123.489 -3.299 19438 7913 1 10 . 1 1 93 93 CYS HA H 93 5.076 5.076 5.011 0.065 19438 7914 1 10 . 1 1 93 93 CYS CA C 93 52.610 52.610 55.180 -2.570 19438 7915 1 10 . 1 1 93 93 CYS CB C 93 42.090 42.090 27.248 14.842 19438 7916 1 10 . 1 1 93 93 CYS H H 93 7.514 7.514 8.086 -0.572 19438 7917 1 10 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.866 -0.076 19438 7918 1 10 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.462 0.038 19438 7919 1 10 . 1 1 95 95 PRO C C 95 177.770 177.770 176.844 0.926 19438 7920 1 10 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.725 0.015 19438 7921 1 10 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.230 -0.130 19438 7922 1 10 . 1 1 96 96 VAL N N 96 123.600 123.600 119.976 3.624 19438 7923 1 10 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.154 -0.207 19438 7924 1 10 . 1 1 96 96 VAL C C 96 175.780 175.780 175.753 0.027 19438 7925 1 10 . 1 1 96 96 VAL CA C 96 62.100 62.100 61.881 0.219 19438 7926 1 10 . 1 1 96 96 VAL CB C 96 32.580 32.580 33.001 -0.421 19438 7927 1 10 . 1 1 96 96 VAL H H 96 9.071 9.071 8.364 0.707 19438 7928 1 10 . 1 1 97 97 ASP N N 97 125.400 125.400 123.206 2.194 19438 7929 1 10 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.812 -0.142 19438 7930 1 10 . 1 1 97 97 ASP C C 97 175.410 175.410 175.455 -0.045 19438 7931 1 10 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.212 0.798 19438 7932 1 10 . 1 1 97 97 ASP CB C 97 41.580 41.580 43.142 -1.562 19438 7933 1 10 . 1 1 97 97 ASP H H 97 8.313 8.313 8.480 -0.167 19438 7934 1 10 . 1 1 98 98 GLY N N 98 108.310 108.310 107.830 0.480 19438 7935 1 10 . 1 1 98 98 GLY C C 98 173.140 173.140 172.722 0.418 19438 7936 1 10 . 1 1 98 98 GLY CA C 98 45.270 45.270 44.932 0.338 19438 7937 1 10 . 1 1 98 98 GLY H H 98 7.838 7.838 8.219 -0.381 19438 7938 1 10 . 1 1 99 99 ASN N N 99 120.050 120.050 119.649 0.401 19438 7939 1 10 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.472 0.710 19438 7940 1 10 . 1 1 99 99 ASN C C 99 174.700 174.700 175.258 -0.558 19438 7941 1 10 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.785 -0.665 19438 7942 1 10 . 1 1 99 99 ASN CB C 99 39.360 39.360 39.036 0.324 19438 7943 1 10 . 1 1 99 99 ASN H H 99 8.685 8.685 8.360 0.325 19438 7944 1 10 . 1 1 100 100 ARG N N 100 121.100 121.100 125.358 -4.258 19438 7945 1 10 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.759 0.150 19438 7946 1 10 . 1 1 100 100 ARG C C 100 176.930 176.930 176.034 0.896 19438 7947 1 10 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.373 0.437 19438 7948 1 10 . 1 1 100 100 ARG CB C 100 31.710 31.710 31.187 0.523 19438 7949 1 10 . 1 1 100 100 ARG H H 100 8.502 8.502 8.124 0.378 19438 7950 1 10 . 1 1 101 101 CYS N N 101 121.180 121.180 124.455 -3.275 19438 7951 1 10 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.395 0.311 19438 7952 1 10 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.495 -3.225 19438 7953 1 10 . 1 1 101 101 CYS H H 101 8.607 8.607 8.829 -0.222 19438 7954 1 10 . 1 1 102 102 SER HA H 102 4.565 4.565 4.516 0.049 19438 7955 1 10 . 1 1 102 102 SER C C 102 174.220 174.220 173.905 0.315 19438 7956 1 10 . 1 1 102 102 SER CA C 102 57.900 57.900 58.249 -0.349 19438 7957 1 10 . 1 1 102 102 SER CB C 102 63.700 63.700 61.619 2.081 19438 7958 1 10 . 1 1 103 103 VAL N N 103 122.910 122.910 124.200 -1.290 19438 7959 1 10 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.060 0.162 19438 7960 1 10 . 1 1 103 103 VAL C C 103 175.070 175.070 175.291 -0.221 19438 7961 1 10 . 1 1 103 103 VAL CA C 103 62.440 62.440 63.044 -0.604 19438 7962 1 10 . 1 1 103 103 VAL H H 103 8.332 8.332 8.214 0.118 19438 7963 1 10 . 1 1 104 104 LEU N N 104 125.940 125.940 127.727 -1.787 19438 7964 1 10 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.842 -0.429 19438 7965 1 10 . 1 1 104 104 LEU C C 104 177.220 177.220 175.500 1.720 19438 7966 1 10 . 1 1 104 104 LEU CA C 104 55.930 55.930 55.455 0.475 19438 7967 1 10 . 1 1 104 104 LEU CB C 104 42.890 42.890 44.264 -1.375 19438 7968 1 10 . 1 1 104 104 LEU H H 104 8.831 8.831 9.547 -0.716 19438 7969 1 10 . 1 1 105 105 GLU N N 105 120.540 120.540 118.059 2.481 19438 7970 1 10 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.528 -0.117 19438 7971 1 10 . 1 1 105 105 GLU C C 105 175.400 175.400 176.250 -0.850 19438 7972 1 10 . 1 1 105 105 GLU CA C 105 55.890 55.890 55.724 0.166 19438 7973 1 10 . 1 1 105 105 GLU CB C 105 30.460 30.460 31.844 -1.384 19438 7974 1 10 . 1 1 105 105 GLU H H 105 8.070 8.070 7.662 0.408 19438 7975 1 10 . 1 1 106 106 PHE N N 106 124.060 124.060 123.091 0.969 19438 7976 1 10 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.039 0.022 19438 7977 1 10 . 1 1 106 106 PHE C C 106 175.880 175.880 176.573 -0.693 19438 7978 1 10 . 1 1 106 106 PHE CA C 106 62.120 62.120 62.656 -0.536 19438 7979 1 10 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.381 0.289 19438 7980 1 10 . 1 1 106 106 PHE H H 106 8.666 8.666 9.031 -0.365 19438 7981 1 10 . 1 1 107 107 GLU N N 107 117.290 117.290 118.882 -1.592 19438 7982 1 10 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.877 0.009 19438 7983 1 10 . 1 1 107 107 GLU C C 107 178.050 178.050 178.801 -0.751 19438 7984 1 10 . 1 1 107 107 GLU CA C 107 59.360 59.360 59.709 -0.349 19438 7985 1 10 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.400 -0.070 19438 7986 1 10 . 1 1 107 107 GLU H H 107 8.932 8.932 8.736 0.196 19438 7987 1 10 . 1 1 108 108 ARG N N 108 117.240 117.240 118.115 -0.875 19438 7988 1 10 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.142 0.166 19438 7989 1 10 . 1 1 108 108 ARG C C 108 177.930 177.930 178.865 -0.935 19438 7990 1 10 . 1 1 108 108 ARG CA C 108 57.120 57.120 57.641 -0.521 19438 7991 1 10 . 1 1 108 108 ARG CB C 108 31.110 31.110 29.553 1.557 19438 7992 1 10 . 1 1 108 108 ARG H H 108 7.533 7.533 7.798 -0.265 19438 7993 1 10 . 1 1 109 109 ASP N N 109 120.040 120.040 121.707 -1.667 19438 7994 1 10 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.341 0.259 19438 7995 1 10 . 1 1 109 109 ASP C C 109 177.980 177.980 178.660 -0.680 19438 7996 1 10 . 1 1 109 109 ASP CA C 109 56.810 56.810 58.187 -1.377 19438 7997 1 10 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.474 1.026 19438 7998 1 10 . 1 1 109 109 ASP H H 109 8.295 8.295 8.164 0.131 19438 7999 1 10 . 1 1 110 110 ILE N N 110 118.710 118.710 120.038 -1.328 19438 8000 1 10 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.544 0.250 19438 8001 1 10 . 1 1 110 110 ILE C C 110 176.740 176.740 176.881 -0.141 19438 8002 1 10 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.466 -1.616 19438 8003 1 10 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.639 -0.609 19438 8004 1 10 . 1 1 110 110 ILE H H 110 8.081 8.081 8.061 0.020 19438 8005 1 10 . 1 1 111 111 GLU N N 111 121.140 121.140 120.103 1.037 19438 8006 1 10 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.846 0.116 19438 8007 1 10 . 1 1 111 111 GLU C C 111 177.400 177.400 178.831 -1.431 19438 8008 1 10 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.902 -0.302 19438 8009 1 10 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.336 -0.036 19438 8010 1 10 . 1 1 111 111 GLU H H 111 7.558 7.558 7.955 -0.397 19438 8011 1 10 . 1 1 112 112 CYS N N 112 117.380 117.380 119.695 -2.315 19438 8012 1 10 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.226 -0.123 19438 8013 1 10 . 1 1 112 112 CYS C C 112 176.570 176.570 177.233 -0.663 19438 8014 1 10 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.781 -3.491 19438 8015 1 10 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.313 15.597 19438 8016 1 10 . 1 1 112 112 CYS H H 112 7.739 7.739 8.283 -0.544 19438 8017 1 10 . 1 1 113 113 ILE N N 113 118.520 118.520 120.953 -2.433 19438 8018 1 10 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.746 0.087 19438 8019 1 10 . 1 1 113 113 ILE C C 113 177.220 177.220 178.201 -0.981 19438 8020 1 10 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.420 -0.010 19438 8021 1 10 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.505 0.925 19438 8022 1 10 . 1 1 113 113 ILE H H 113 7.682 7.682 8.076 -0.394 19438 8023 1 10 . 1 1 114 114 VAL N N 114 120.390 120.390 120.736 -0.346 19438 8024 1 10 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.527 -0.059 19438 8025 1 10 . 1 1 114 114 VAL C C 114 177.970 177.970 178.323 -0.353 19438 8026 1 10 . 1 1 114 114 VAL CA C 114 67.960 67.960 66.996 0.964 19438 8027 1 10 . 1 1 114 114 VAL CB C 114 31.730 31.730 30.861 0.869 19438 8028 1 10 . 1 1 114 114 VAL H H 114 7.765 7.765 8.457 -0.692 19438 8029 1 10 . 1 1 115 115 LYS N N 115 118.840 118.840 119.195 -0.355 19438 8030 1 10 . 1 1 115 115 LYS HA H 115 4.129 4.129 4.332 -0.203 19438 8031 1 10 . 1 1 115 115 LYS C C 115 178.870 178.870 178.930 -0.060 19438 8032 1 10 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.279 0.021 19438 8033 1 10 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.115 -0.205 19438 8034 1 10 . 1 1 115 115 LYS H H 115 8.314 8.314 8.444 -0.130 19438 8035 1 10 . 1 1 116 116 ALA N N 116 121.000 121.000 123.740 -2.740 19438 8036 1 10 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.138 0.088 19438 8037 1 10 . 1 1 116 116 ALA C C 116 181.600 181.600 179.526 2.074 19438 8038 1 10 . 1 1 116 116 ALA CA C 116 55.320 55.320 54.866 0.454 19438 8039 1 10 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.388 0.262 19438 8040 1 10 . 1 1 116 116 ALA H H 116 7.427 7.427 7.520 -0.093 19438 8041 1 10 . 1 1 117 117 ILE N N 117 120.090 120.090 118.901 1.189 19438 8042 1 10 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.436 -0.123 19438 8043 1 10 . 1 1 117 117 ILE C C 117 177.630 177.630 177.876 -0.246 19438 8044 1 10 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.679 0.831 19438 8045 1 10 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.549 0.311 19438 8046 1 10 . 1 1 117 117 ILE H H 117 8.121 8.121 7.894 0.227 19438 8047 1 10 . 1 1 118 118 GLU N N 118 119.300 119.300 119.559 -0.259 19438 8048 1 10 . 1 1 118 118 GLU HA H 118 3.886 3.886 3.998 -0.112 19438 8049 1 10 . 1 1 118 118 GLU C C 118 179.850 179.850 179.435 0.415 19438 8050 1 10 . 1 1 118 118 GLU CA C 118 60.760 60.760 60.031 0.730 19438 8051 1 10 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.303 0.347 19438 8052 1 10 . 1 1 118 118 GLU H H 118 8.657 8.657 8.441 0.216 19438 8053 1 10 . 1 1 119 119 GLU N N 119 119.080 119.080 119.677 -0.597 19438 8054 1 10 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.149 -0.081 19438 8055 1 10 . 1 1 119 119 GLU C C 119 178.670 178.670 178.969 -0.299 19438 8056 1 10 . 1 1 119 119 GLU CA C 119 59.390 59.390 59.128 0.262 19438 8057 1 10 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.646 0.074 19438 8058 1 10 . 1 1 119 119 GLU H H 119 8.596 8.596 8.413 0.183 19438 8059 1 10 . 1 1 120 120 CYS N N 120 117.950 117.950 119.881 -1.931 19438 8060 1 10 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.505 -0.063 19438 8061 1 10 . 1 1 120 120 CYS C C 120 177.280 177.280 177.435 -0.155 19438 8062 1 10 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.491 -4.011 19438 8063 1 10 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.169 13.251 19438 8064 1 10 . 1 1 120 120 CYS H H 120 7.686 7.686 7.981 -0.295 19438 8065 1 10 . 1 1 121 121 LEU N N 121 118.000 118.000 120.590 -2.590 19438 8066 1 10 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.263 -0.242 19438 8067 1 10 . 1 1 121 121 LEU C C 121 179.010 179.010 179.243 -0.233 19438 8068 1 10 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.612 0.058 19438 8069 1 10 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.821 -0.441 19438 8070 1 10 . 1 1 121 121 LEU H H 121 8.194 8.194 8.369 -0.175 19438 8071 1 10 . 1 1 122 122 ALA N N 122 119.940 119.940 120.031 -0.091 19438 8072 1 10 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.250 -0.024 19438 8073 1 10 . 1 1 122 122 ALA C C 122 179.040 179.040 178.945 0.095 19438 8074 1 10 . 1 1 122 122 ALA CA C 122 54.160 54.160 53.823 0.337 19438 8075 1 10 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.651 0.229 19438 8076 1 10 . 1 1 122 122 ALA H H 122 7.974 7.974 8.077 -0.103 19438 8077 1 10 . 1 1 123 123 LYS N N 123 117.940 117.940 118.607 -0.667 19438 8078 1 10 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.077 0.114 19438 8079 1 10 . 1 1 123 123 LYS C C 123 177.770 177.770 176.806 0.964 19438 8080 1 10 . 1 1 123 123 LYS CA C 123 57.710 57.710 57.916 -0.206 19438 8081 1 10 . 1 1 123 123 LYS CB C 123 32.570 32.570 32.994 -0.424 19438 8082 1 10 . 1 1 123 123 LYS H H 123 7.774 7.774 8.168 -0.394 19438 8083 1 10 . 1 1 124 124 GLY N N 124 107.510 107.510 105.954 1.556 19438 8084 1 10 . 1 1 124 124 GLY C C 124 174.290 174.290 173.195 1.095 19438 8085 1 10 . 1 1 124 124 GLY CA C 124 46.060 46.060 44.582 1.478 19438 8086 1 10 . 1 1 124 124 GLY H H 124 8.084 8.084 7.743 0.341 19438 8087 1 10 . 1 1 125 125 GLU N N 125 120.170 120.170 121.249 -1.079 19438 8088 1 10 . 1 1 125 125 GLU HA H 125 4.318 4.318 4.052 0.266 19438 8089 1 10 . 1 1 125 125 GLU C C 125 176.940 176.940 174.424 2.516 19438 8090 1 10 . 1 1 125 125 GLU CA C 125 56.780 56.780 56.258 0.522 19438 8091 1 10 . 1 1 125 125 GLU CB C 125 30.760 30.760 27.521 3.239 19438 8092 1 10 . 1 1 125 125 GLU H H 125 7.997 7.997 8.525 -0.528 19438 8093 1 10 . 1 1 126 126 LEU N N 126 122.210 122.210 120.435 1.775 19438 8094 1 10 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.567 -0.257 19438 8095 1 10 . 1 1 126 126 LEU C C 126 177.320 177.320 174.477 2.843 19438 8096 1 10 . 1 1 126 126 LEU CA C 126 55.940 55.940 55.549 0.391 19438 8097 1 10 . 1 1 126 126 LEU CB C 126 42.540 42.540 43.839 -1.299 19438 8098 1 10 . 1 1 126 126 LEU H H 126 8.218 8.218 7.673 0.545 19438 8099 1 10 . 1 1 127 127 ASN N N 127 119.250 119.250 124.244 -4.994 19438 8100 1 10 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.860 -0.166 19438 8101 1 10 . 1 1 127 127 ASN C C 127 175.720 175.720 173.914 1.806 19438 8102 1 10 . 1 1 127 127 ASN CA C 127 53.930 53.930 53.636 0.294 19438 8103 1 10 . 1 1 127 127 ASN CB C 127 38.970 38.970 40.260 -1.290 19438 8104 1 10 . 1 1 127 127 ASN H H 127 8.445 8.445 9.416 -0.971 19438 8105 1 10 . 1 1 128 128 SER N N 128 116.060 116.060 117.116 -1.056 19438 8106 1 10 . 1 1 128 128 SER HA H 128 4.373 4.373 4.093 0.280 19438 8107 1 10 . 1 1 128 128 SER C C 128 174.830 174.830 173.554 1.276 19438 8108 1 10 . 1 1 128 128 SER CA C 128 59.120 59.120 59.668 -0.548 19438 8109 1 10 . 1 1 128 128 SER CB C 128 63.830 63.830 62.831 0.999 19438 8110 1 10 . 1 1 128 128 SER H H 128 8.182 8.182 8.847 -0.665 19438 8111 1 10 . 1 1 129 129 LYS N N 129 122.520 122.520 125.821 -3.301 19438 8112 1 10 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.478 -0.120 19438 8113 1 10 . 1 1 129 129 LYS C C 129 176.750 176.750 175.035 1.715 19438 8114 1 10 . 1 1 129 129 LYS CA C 129 56.710 56.710 56.701 0.009 19438 8115 1 10 . 1 1 129 129 LYS CB C 129 32.760 32.760 33.034 -0.274 19438 8116 1 10 . 1 1 129 129 LYS H H 129 8.154 8.154 8.540 -0.386 19438 8117 1 10 . 1 1 130 130 LEU N N 130 122.340 122.340 126.228 -3.888 19438 8118 1 10 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.710 -0.382 19438 8119 1 10 . 1 1 130 130 LEU C C 130 177.430 177.430 175.525 1.905 19438 8120 1 10 . 1 1 130 130 LEU CA C 130 57.430 57.430 52.106 5.324 19438 8121 1 10 . 1 1 130 130 LEU CB C 130 42.380 42.380 46.004 -3.624 19438 8122 1 10 . 1 1 130 130 LEU H H 130 8.070 8.070 8.331 -0.261 19438 8123 1 10 . 1 1 131 131 GLU N N 131 121.450 121.450 120.055 1.395 19438 8124 1 10 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.304 -0.009 19438 8125 1 10 . 1 1 131 131 GLU C C 131 176.920 176.920 175.880 1.040 19438 8126 1 10 . 1 1 131 131 GLU CA C 131 56.690 56.690 56.402 0.288 19438 8127 1 10 . 1 1 131 131 GLU CB C 131 30.380 30.380 29.634 0.746 19438 8128 1 10 . 1 1 131 131 GLU H H 131 8.250 8.250 8.560 -0.310 19438 8129 1 10 . 1 1 132 132 GLY N N 132 109.900 109.900 109.475 0.425 19438 8130 1 10 . 1 1 132 132 GLY C C 132 173.770 173.770 173.386 0.384 19438 8131 1 10 . 1 1 132 132 GLY CA C 132 45.290 45.290 44.726 0.564 19438 8132 1 10 . 1 1 132 132 GLY H H 132 8.334 8.334 8.388 -0.054 19438 8133 1 10 . 1 1 133 133 LYS N N 133 121.920 121.920 121.482 0.438 19438 8134 1 10 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.847 -0.183 19438 8135 1 10 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.104 1.046 19438 8136 1 10 . 1 1 133 133 LYS CB C 133 32.710 32.710 33.503 -0.793 19438 8137 1 10 . 1 1 133 133 LYS H H 133 8.037 8.037 9.163 -1.126 19438 8138 1 10 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.450 0.001 19438 8139 1 10 . 1 1 134 134 PRO C C 134 176.670 176.670 175.822 0.848 19438 8140 1 10 . 1 1 134 134 PRO CA C 134 62.940 62.940 63.151 -0.211 19438 8141 1 10 . 1 1 134 134 PRO CB C 134 31.890 31.890 32.114 -0.224 19438 8142 1 10 . 1 1 135 135 ILE N N 135 122.710 122.710 125.822 -3.112 19438 8143 1 10 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.318 0.110 19438 8144 1 10 . 1 1 135 135 ILE CA C 135 58.770 58.770 56.717 2.054 19438 8145 1 10 . 1 1 135 135 ILE CB C 135 38.640 38.640 38.691 -0.051 19438 8146 1 10 . 1 1 135 135 ILE H H 135 8.227 8.227 7.984 0.243 19438 8147 1 10 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.341 0.031 19438 8148 1 10 . 1 1 136 136 PRO C C 136 176.330 176.330 176.091 0.239 19438 8149 1 10 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.408 0.842 19438 8150 1 10 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.231 -0.221 19438 8151 1 10 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.568 0.373 19438 8152 1 10 . 1 1 137 137 ASN CA C 137 51.270 51.270 53.193 -1.923 19438 8153 1 10 . 1 1 137 137 ASN CB C 137 38.670 38.670 37.559 1.111 19438 8154 1 10 . 1 1 137 137 ASN H H 137 8.383 8.383 8.365 0.018 19438 8155 1 10 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.381 0.023 19438 8156 1 10 . 1 1 138 138 PRO C C 138 177.210 177.210 175.793 1.417 19438 8157 1 10 . 1 1 138 138 PRO CA C 138 63.310 63.310 63.075 0.235 19438 8158 1 10 . 1 1 138 138 PRO CB C 138 32.100 32.100 32.274 -0.174 19438 8159 1 10 . 1 1 139 139 LEU N N 139 119.860 119.860 116.399 3.461 19438 8160 1 10 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.044 0.257 19438 8161 1 10 . 1 1 139 139 LEU C C 139 177.640 177.640 176.248 1.392 19438 8162 1 10 . 1 1 139 139 LEU CA C 139 55.610 55.610 55.206 0.404 19438 8163 1 10 . 1 1 139 139 LEU CB C 139 41.540 41.540 40.624 0.916 19438 8164 1 10 . 1 1 139 139 LEU H H 139 8.096 8.096 7.740 0.356 19438 8165 1 10 . 1 1 140 140 LEU N N 140 121.040 121.040 125.093 -4.053 19438 8166 1 10 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.475 -0.160 19438 8167 1 10 . 1 1 140 140 LEU C C 140 177.840 177.840 177.051 0.789 19438 8168 1 10 . 1 1 140 140 LEU CA C 140 55.370 55.370 54.880 0.490 19438 8169 1 10 . 1 1 140 140 LEU CB C 140 42.390 42.390 40.042 2.348 19438 8170 1 10 . 1 1 140 140 LEU H H 140 7.749 7.749 8.476 -0.727 19438 8171 1 10 . 1 1 141 141 GLY N N 141 108.960 108.960 109.982 -1.022 19438 8172 1 10 . 1 1 141 141 GLY C C 141 174.380 174.380 174.743 -0.363 19438 8173 1 10 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.219 0.431 19438 8174 1 10 . 1 1 141 141 GLY H H 141 8.231 8.231 8.112 0.119 19438 8175 1 10 . 1 1 142 142 LEU N N 142 121.470 121.470 121.077 0.393 19438 8176 1 10 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.096 0.240 19438 8177 1 10 . 1 1 142 142 LEU C C 142 177.390 177.390 174.670 2.720 19438 8178 1 10 . 1 1 142 142 LEU CA C 142 55.630 55.630 55.230 0.400 19438 8179 1 10 . 1 1 142 142 LEU CB C 142 42.600 42.600 41.483 1.117 19438 8180 1 10 . 1 1 142 142 LEU H H 142 8.004 8.004 8.041 -0.037 19438 8181 1 10 . 1 1 143 143 ASP N N 143 120.770 120.770 126.602 -5.832 19438 8182 1 10 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.973 -0.300 19438 8183 1 10 . 1 1 143 143 ASP C C 143 176.870 176.870 174.625 2.245 19438 8184 1 10 . 1 1 143 143 ASP CA C 143 54.400 54.400 53.865 0.535 19438 8185 1 10 . 1 1 143 143 ASP CB C 143 41.170 41.170 43.568 -2.398 19438 8186 1 10 . 1 1 143 143 ASP H H 143 8.380 8.380 8.301 0.079 19438 8187 1 10 . 1 1 144 144 SER N N 144 116.820 116.820 118.533 -1.713 19438 8188 1 10 . 1 1 144 144 SER HA H 144 4.413 4.413 4.909 -0.496 19438 8189 1 10 . 1 1 144 144 SER C C 144 175.300 175.300 174.108 1.192 19438 8190 1 10 . 1 1 144 144 SER CA C 144 59.190 59.190 58.313 0.877 19438 8191 1 10 . 1 1 144 144 SER CB C 144 63.770 63.770 64.876 -1.105 19438 8192 1 10 . 1 1 144 144 SER H H 144 8.298 8.298 8.688 -0.390 19438 8193 1 10 . 1 1 145 145 THR N N 145 114.870 114.870 119.695 -4.825 19438 8194 1 10 . 1 1 145 145 THR HA H 145 4.419 4.419 4.331 0.088 19438 8195 1 10 . 1 1 145 145 THR C C 145 175.070 175.070 174.061 1.009 19438 8196 1 10 . 1 1 145 145 THR CA C 145 62.880 62.880 63.407 -0.527 19438 8197 1 10 . 1 1 145 145 THR CB C 145 69.710 69.710 68.505 1.205 19438 8198 1 10 . 1 1 145 145 THR H H 145 8.208 8.208 8.584 -0.376 19438 8199 1 10 . 1 1 146 146 ARG N N 146 122.450 122.450 127.313 -4.863 19438 8200 1 10 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.438 -0.056 19438 8201 1 10 . 1 1 146 146 ARG C C 146 176.570 176.570 174.931 1.639 19438 8202 1 10 . 1 1 146 146 ARG CA C 146 56.350 56.350 56.044 0.306 19438 8203 1 10 . 1 1 146 146 ARG CB C 146 30.620 30.620 32.914 -2.294 19438 8204 1 10 . 1 1 146 146 ARG H H 146 8.122 8.122 8.035 0.087 19438 8205 1 10 . 1 1 147 147 THR N N 147 113.830 113.830 120.953 -7.123 19438 8206 1 10 . 1 1 147 147 THR HA H 147 4.400 4.400 4.507 -0.107 19438 8207 1 10 . 1 1 147 147 THR C C 147 175.200 175.200 174.870 0.330 19438 8208 1 10 . 1 1 147 147 THR CA C 147 62.110 62.110 62.467 -0.357 19438 8209 1 10 . 1 1 147 147 THR CB C 147 69.950 69.950 68.621 1.329 19438 8210 1 10 . 1 1 147 147 THR H H 147 8.039 8.039 8.595 -0.556 19438 8211 1 11 . 1 1 2 2 LYS N N 2 124.740 124.740 125.108 -0.368 19438 8212 1 11 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.733 0.077 19438 8213 1 11 . 1 1 2 2 LYS C C 2 173.640 173.640 175.710 -2.070 19438 8214 1 11 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.860 -1.900 19438 8215 1 11 . 1 1 2 2 LYS CB C 2 34.850 34.850 34.240 0.610 19438 8216 1 11 . 1 1 2 2 LYS H H 2 8.620 8.620 8.598 0.022 19438 8217 1 11 . 1 1 3 3 TYR N N 3 114.840 114.840 120.387 -5.547 19438 8218 1 11 . 1 1 3 3 TYR HA H 3 5.252 5.252 4.883 0.369 19438 8219 1 11 . 1 1 3 3 TYR C C 3 174.920 174.920 174.484 0.436 19438 8220 1 11 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.058 0.302 19438 8221 1 11 . 1 1 3 3 TYR CB C 3 43.170 43.170 42.535 0.635 19438 8222 1 11 . 1 1 3 3 TYR H H 3 8.927 8.927 9.444 -0.517 19438 8223 1 11 . 1 1 4 4 ASP N N 4 119.790 119.790 121.782 -1.992 19438 8224 1 11 . 1 1 4 4 ASP HA H 4 5.479 5.479 5.047 0.432 19438 8225 1 11 . 1 1 4 4 ASP C C 4 175.780 175.780 175.079 0.701 19438 8226 1 11 . 1 1 4 4 ASP CA C 4 52.900 52.900 52.943 -0.043 19438 8227 1 11 . 1 1 4 4 ASP CB C 4 43.970 43.970 42.306 1.664 19438 8228 1 11 . 1 1 4 4 ASP H H 4 9.170 9.170 9.129 0.041 19438 8229 1 11 . 1 1 5 5 VAL N N 5 122.030 122.030 127.042 -5.012 19438 8230 1 11 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.716 0.006 19438 8231 1 11 . 1 1 5 5 VAL C C 5 174.520 174.520 173.817 0.703 19438 8232 1 11 . 1 1 5 5 VAL CA C 5 62.100 62.100 60.938 1.163 19438 8233 1 11 . 1 1 5 5 VAL CB C 5 31.720 31.720 33.145 -1.425 19438 8234 1 11 . 1 1 5 5 VAL H H 5 8.733 8.733 8.871 -0.138 19438 8235 1 11 . 1 1 6 6 VAL N N 6 128.380 128.380 130.400 -2.020 19438 8236 1 11 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.562 0.084 19438 8237 1 11 . 1 1 6 6 VAL C C 6 174.330 174.330 174.261 0.069 19438 8238 1 11 . 1 1 6 6 VAL CA C 6 61.750 61.750 61.166 0.584 19438 8239 1 11 . 1 1 6 6 VAL CB C 6 34.060 34.060 32.796 1.264 19438 8240 1 11 . 1 1 6 6 VAL H H 6 9.338 9.338 9.157 0.181 19438 8241 1 11 . 1 1 7 7 ILE N N 7 127.540 127.540 129.444 -1.904 19438 8242 1 11 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.192 -0.032 19438 8243 1 11 . 1 1 7 7 ILE C C 7 175.260 175.260 173.803 1.457 19438 8244 1 11 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.738 1.472 19438 8245 1 11 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.377 -0.277 19438 8246 1 11 . 1 1 7 7 ILE H H 7 9.295 9.295 9.177 0.118 19438 8247 1 11 . 1 1 8 8 ILE N N 8 126.500 126.500 129.762 -3.262 19438 8248 1 11 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.662 0.100 19438 8249 1 11 . 1 1 8 8 ILE CA C 8 58.790 58.790 57.866 0.924 19438 8250 1 11 . 1 1 8 8 ILE CB C 8 41.100 41.100 40.075 1.026 19438 8251 1 11 . 1 1 8 8 ILE H H 8 9.573 9.573 9.082 0.491 19438 8252 1 11 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.186 0.139 19438 8253 1 11 . 1 1 9 9 PRO C C 9 174.390 174.390 175.573 -1.183 19438 8254 1 11 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.448 -0.378 19438 8255 1 11 . 1 1 9 9 PRO CB C 9 31.600 31.600 32.824 -1.224 19438 8256 1 11 . 1 1 10 10 GLU N N 10 120.480 120.480 120.474 0.006 19438 8257 1 11 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.636 0.137 19438 8258 1 11 . 1 1 10 10 GLU C C 10 174.950 174.950 175.287 -0.337 19438 8259 1 11 . 1 1 10 10 GLU CA C 10 55.600 55.600 54.867 0.733 19438 8260 1 11 . 1 1 10 10 GLU CB C 10 33.980 33.980 32.264 1.716 19438 8261 1 11 . 1 1 10 10 GLU H H 10 9.218 9.218 9.019 0.199 19438 8262 1 11 . 1 1 11 11 SER N N 11 117.470 117.470 121.433 -3.963 19438 8263 1 11 . 1 1 11 11 SER HA H 11 4.686 4.686 4.439 0.247 19438 8264 1 11 . 1 1 11 11 SER C C 11 174.460 174.460 174.895 -0.435 19438 8265 1 11 . 1 1 11 11 SER CA C 11 57.490 57.490 59.025 -1.535 19438 8266 1 11 . 1 1 11 11 SER CB C 11 64.820 64.820 63.533 1.287 19438 8267 1 11 . 1 1 11 11 SER H H 11 8.595 8.595 8.442 0.153 19438 8268 1 11 . 1 1 12 12 PHE N N 12 122.760 122.760 125.107 -2.347 19438 8269 1 11 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.495 0.176 19438 8270 1 11 . 1 1 12 12 PHE C C 12 175.440 175.440 175.067 0.373 19438 8271 1 11 . 1 1 12 12 PHE CA C 12 58.580 58.580 57.367 1.212 19438 8272 1 11 . 1 1 12 12 PHE CB C 12 39.940 39.940 38.529 1.411 19438 8273 1 11 . 1 1 12 12 PHE H H 12 8.298 8.298 8.237 0.061 19438 8274 1 11 . 1 1 13 13 HIS N N 13 120.600 120.600 122.363 -1.763 19438 8275 1 11 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.779 -0.164 19438 8276 1 11 . 1 1 13 13 HIS C C 13 174.530 174.530 173.754 0.776 19438 8277 1 11 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.326 0.284 19438 8278 1 11 . 1 1 13 13 HIS CB C 13 31.000 31.000 33.692 -2.692 19438 8279 1 11 . 1 1 13 13 HIS H H 13 8.243 8.243 8.164 0.079 19438 8280 1 11 . 1 1 14 14 ARG N N 14 122.290 122.290 121.283 1.007 19438 8281 1 11 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.554 -0.335 19438 8282 1 11 . 1 1 14 14 ARG C C 14 176.070 176.070 174.329 1.741 19438 8283 1 11 . 1 1 14 14 ARG CA C 14 56.580 56.580 54.398 2.183 19438 8284 1 11 . 1 1 14 14 ARG CB C 14 30.790 30.790 33.035 -2.245 19438 8285 1 11 . 1 1 14 14 ARG H H 14 8.320 8.320 8.581 -0.261 19438 8286 1 11 . 1 1 15 15 PHE N N 15 120.220 120.220 122.783 -2.563 19438 8287 1 11 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.685 0.011 19438 8288 1 11 . 1 1 15 15 PHE C C 15 175.550 175.550 176.241 -0.691 19438 8289 1 11 . 1 1 15 15 PHE CA C 15 57.630 57.630 59.473 -1.843 19438 8290 1 11 . 1 1 15 15 PHE CB C 15 39.920 39.920 38.559 1.361 19438 8291 1 11 . 1 1 15 15 PHE H H 15 8.409 8.409 8.678 -0.269 19438 8292 1 11 . 1 1 16 16 ASP N N 16 121.370 121.370 127.241 -5.871 19438 8293 1 11 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.816 -0.265 19438 8294 1 11 . 1 1 16 16 ASP C C 16 176.590 176.590 176.736 -0.146 19438 8295 1 11 . 1 1 16 16 ASP CA C 16 54.180 54.180 53.713 0.467 19438 8296 1 11 . 1 1 16 16 ASP CB C 16 41.410 41.410 42.812 -1.402 19438 8297 1 11 . 1 1 16 16 ASP H H 16 8.397 8.397 8.428 -0.031 19438 8298 1 11 . 1 1 17 17 LYS N N 17 119.880 119.880 119.054 0.826 19438 8299 1 11 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.195 -0.028 19438 8300 1 11 . 1 1 17 17 LYS C C 17 176.550 176.550 177.375 -0.825 19438 8301 1 11 . 1 1 17 17 LYS CA C 17 57.110 57.110 58.465 -1.355 19438 8302 1 11 . 1 1 17 17 LYS CB C 17 32.420 32.420 32.806 -0.386 19438 8303 1 11 . 1 1 17 17 LYS H H 17 8.188 8.188 8.451 -0.263 19438 8304 1 11 . 1 1 18 18 HIS N N 18 118.390 118.390 113.741 4.649 19438 8305 1 11 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.711 -0.061 19438 8306 1 11 . 1 1 18 18 HIS C C 18 175.020 175.020 173.645 1.375 19438 8307 1 11 . 1 1 18 18 HIS CA C 18 56.260 56.260 55.423 0.837 19438 8308 1 11 . 1 1 18 18 HIS CB C 18 30.010 30.010 30.980 -0.970 19438 8309 1 11 . 1 1 18 18 HIS H H 18 8.339 8.339 8.481 -0.142 19438 8310 1 11 . 1 1 19 19 ASN N N 19 118.700 118.700 117.631 1.069 19438 8311 1 11 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.984 -0.312 19438 8312 1 11 . 1 1 19 19 ASN C C 19 175.170 175.170 173.955 1.215 19438 8313 1 11 . 1 1 19 19 ASN CA C 19 53.800 53.800 52.224 1.575 19438 8314 1 11 . 1 1 19 19 ASN CB C 19 38.730 38.730 40.677 -1.947 19438 8315 1 11 . 1 1 19 19 ASN H H 19 8.287 8.287 7.810 0.477 19438 8316 1 11 . 1 1 20 20 MET N N 20 120.140 120.140 115.183 4.957 19438 8317 1 11 . 1 1 20 20 MET HA H 20 4.475 4.475 3.992 0.483 19438 8318 1 11 . 1 1 20 20 MET C C 20 176.470 176.470 173.527 2.943 19438 8319 1 11 . 1 1 20 20 MET CA C 20 55.640 55.640 56.277 -0.637 19438 8320 1 11 . 1 1 20 20 MET CB C 20 33.500 33.500 30.832 2.668 19438 8321 1 11 . 1 1 20 20 MET H H 20 8.495 8.495 8.901 -0.406 19438 8322 1 11 . 1 1 21 21 GLU N N 21 120.920 120.920 118.337 2.583 19438 8323 1 11 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.281 -0.080 19438 8324 1 11 . 1 1 21 21 GLU C C 21 176.380 176.380 173.397 2.983 19438 8325 1 11 . 1 1 21 21 GLU CA C 21 57.330 57.330 55.184 2.146 19438 8326 1 11 . 1 1 21 21 GLU CB C 21 30.080 30.080 31.978 -1.898 19438 8327 1 11 . 1 1 21 21 GLU H H 21 8.450 8.450 7.983 0.467 19438 8328 1 11 . 1 1 22 22 HIS N N 22 119.650 119.650 123.480 -3.830 19438 8329 1 11 . 1 1 22 22 HIS HA H 22 4.687 4.687 5.282 -0.595 19438 8330 1 11 . 1 1 22 22 HIS C C 22 174.470 174.470 172.969 1.501 19438 8331 1 11 . 1 1 22 22 HIS CA C 22 55.980 55.980 55.954 0.026 19438 8332 1 11 . 1 1 22 22 HIS CB C 22 30.530 30.530 32.710 -2.180 19438 8333 1 11 . 1 1 22 22 HIS H H 22 8.334 8.334 8.416 -0.082 19438 8334 1 11 . 1 1 23 23 ILE N N 23 121.910 121.910 124.279 -2.369 19438 8335 1 11 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.126 0.025 19438 8336 1 11 . 1 1 23 23 ILE C C 23 175.870 175.870 174.442 1.428 19438 8337 1 11 . 1 1 23 23 ILE CA C 23 61.170 61.170 59.562 1.607 19438 8338 1 11 . 1 1 23 23 ILE CB C 23 38.850 38.850 41.242 -2.392 19438 8339 1 11 . 1 1 23 23 ILE H H 23 7.782 7.782 8.042 -0.260 19438 8340 1 11 . 1 1 24 24 CYS N N 24 124.920 124.920 125.324 -0.404 19438 8341 1 11 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.765 0.029 19438 8342 1 11 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.718 -3.588 19438 8343 1 11 . 1 1 24 24 CYS CB C 24 42.470 42.470 29.638 12.832 19438 8344 1 11 . 1 1 24 24 CYS H H 24 8.697 8.697 8.256 0.441 19438 8345 1 11 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.456 0.274 19438 8346 1 11 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.312 0.442 19438 8347 1 11 . 1 1 26 26 PRO C C 26 175.820 175.820 175.462 0.358 19438 8348 1 11 . 1 1 26 26 PRO CA C 26 62.580 62.580 62.536 0.044 19438 8349 1 11 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.669 -0.079 19438 8350 1 11 . 1 1 27 27 MET N N 27 120.580 120.580 125.758 -5.178 19438 8351 1 11 . 1 1 27 27 MET HA H 27 5.180 5.180 5.117 0.063 19438 8352 1 11 . 1 1 27 27 MET C C 27 174.810 174.810 174.393 0.417 19438 8353 1 11 . 1 1 27 27 MET CA C 27 53.270 53.270 54.047 -0.777 19438 8354 1 11 . 1 1 27 27 MET CB C 27 34.580 34.580 35.105 -0.525 19438 8355 1 11 . 1 1 27 27 MET H H 27 9.055 9.055 8.879 0.176 19438 8356 1 11 . 1 1 28 28 VAL N N 28 122.030 122.030 126.793 -4.763 19438 8357 1 11 . 1 1 28 28 VAL HA H 28 5.093 5.093 5.024 0.069 19438 8358 1 11 . 1 1 28 28 VAL C C 28 175.710 175.710 174.320 1.390 19438 8359 1 11 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.143 -0.493 19438 8360 1 11 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.802 0.668 19438 8361 1 11 . 1 1 28 28 VAL H H 28 8.575 8.575 9.069 -0.494 19438 8362 1 11 . 1 1 29 29 ILE N N 29 129.440 129.440 126.245 3.195 19438 8363 1 11 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.524 -0.159 19438 8364 1 11 . 1 1 29 29 ILE C C 29 176.490 176.490 174.595 1.895 19438 8365 1 11 . 1 1 29 29 ILE CA C 29 61.260 61.260 59.479 1.781 19438 8366 1 11 . 1 1 29 29 ILE CB C 29 37.960 37.960 40.230 -2.270 19438 8367 1 11 . 1 1 29 29 ILE H H 29 9.200 9.200 9.007 0.193 19438 8368 1 11 . 1 1 30 30 GLY N N 30 112.580 112.580 114.508 -1.928 19438 8369 1 11 . 1 1 30 30 GLY C C 30 175.350 175.350 173.538 1.812 19438 8370 1 11 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.577 1.533 19438 8371 1 11 . 1 1 30 30 GLY H H 30 8.525 8.525 8.774 -0.249 19438 8372 1 11 . 1 1 31 31 ASP N N 31 121.320 121.320 123.402 -2.082 19438 8373 1 11 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.683 -0.580 19438 8374 1 11 . 1 1 31 31 ASP C C 31 175.530 175.530 175.144 0.386 19438 8375 1 11 . 1 1 31 31 ASP CA C 31 55.530 55.530 54.187 1.343 19438 8376 1 11 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.773 -2.153 19438 8377 1 11 . 1 1 31 31 ASP H H 31 9.133 9.133 7.880 1.253 19438 8378 1 11 . 1 1 32 32 ARG N N 32 117.600 117.600 120.392 -2.792 19438 8379 1 11 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.921 0.110 19438 8380 1 11 . 1 1 32 32 ARG C C 32 177.060 177.060 175.380 1.680 19438 8381 1 11 . 1 1 32 32 ARG CA C 32 52.790 52.790 53.697 -0.907 19438 8382 1 11 . 1 1 32 32 ARG CB C 32 34.650 34.650 33.421 1.229 19438 8383 1 11 . 1 1 32 32 ARG H H 32 9.529 9.529 7.781 1.748 19438 8384 1 11 . 1 1 33 33 SER N N 33 116.150 116.150 120.200 -4.050 19438 8385 1 11 . 1 1 33 33 SER HA H 33 4.819 4.819 5.068 -0.249 19438 8386 1 11 . 1 1 33 33 SER C C 33 174.290 174.290 175.440 -1.150 19438 8387 1 11 . 1 1 33 33 SER CA C 33 58.130 58.130 57.753 0.377 19438 8388 1 11 . 1 1 33 33 SER CB C 33 64.530 64.530 64.775 -0.245 19438 8389 1 11 . 1 1 33 33 SER H H 33 8.400 8.400 8.804 -0.404 19438 8390 1 11 . 1 1 34 34 TYR N N 34 122.110 122.110 123.600 -1.490 19438 8391 1 11 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.475 -0.090 19438 8392 1 11 . 1 1 34 34 TYR C C 34 176.280 176.280 176.809 -0.529 19438 8393 1 11 . 1 1 34 34 TYR CA C 34 63.060 63.060 63.145 -0.085 19438 8394 1 11 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.295 0.055 19438 8395 1 11 . 1 1 34 34 TYR H H 34 9.456 9.456 8.353 1.103 19438 8396 1 11 . 1 1 35 35 ASP N N 35 114.640 114.640 117.647 -3.007 19438 8397 1 11 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.145 -0.079 19438 8398 1 11 . 1 1 35 35 ASP C C 35 179.460 179.460 178.357 1.103 19438 8399 1 11 . 1 1 35 35 ASP CA C 35 57.380 57.380 57.867 -0.487 19438 8400 1 11 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.387 -0.547 19438 8401 1 11 . 1 1 35 35 ASP H H 35 8.611 8.611 8.727 -0.116 19438 8402 1 11 . 1 1 36 36 ILE N N 36 120.860 120.860 120.421 0.439 19438 8403 1 11 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.805 0.043 19438 8404 1 11 . 1 1 36 36 ILE C C 36 178.000 178.000 177.494 0.506 19438 8405 1 11 . 1 1 36 36 ILE CA C 36 62.660 62.660 63.791 -1.131 19438 8406 1 11 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.789 -1.089 19438 8407 1 11 . 1 1 36 36 ILE H H 36 7.298 7.298 7.130 0.168 19438 8408 1 11 . 1 1 37 37 ALA N N 37 123.260 123.260 123.233 0.027 19438 8409 1 11 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.945 -0.213 19438 8410 1 11 . 1 1 37 37 ALA C C 37 179.720 179.720 179.288 0.432 19438 8411 1 11 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.329 0.391 19438 8412 1 11 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.072 -0.092 19438 8413 1 11 . 1 1 37 37 ALA H H 37 8.906 8.906 8.674 0.232 19438 8414 1 11 . 1 1 38 38 MET N N 38 114.900 114.900 118.020 -3.120 19438 8415 1 11 . 1 1 38 38 MET HA H 38 4.282 4.282 3.974 0.308 19438 8416 1 11 . 1 1 38 38 MET C C 38 178.940 178.940 177.861 1.079 19438 8417 1 11 . 1 1 38 38 MET CA C 38 55.940 55.940 58.976 -3.036 19438 8418 1 11 . 1 1 38 38 MET CB C 38 29.570 29.570 32.573 -3.003 19438 8419 1 11 . 1 1 38 38 MET H H 38 8.237 8.237 8.063 0.174 19438 8420 1 11 . 1 1 39 39 GLU N N 39 120.020 120.020 119.297 0.723 19438 8421 1 11 . 1 1 39 39 GLU HA H 39 4.101 4.101 3.976 0.125 19438 8422 1 11 . 1 1 39 39 GLU C C 39 180.880 180.880 179.324 1.556 19438 8423 1 11 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.011 0.619 19438 8424 1 11 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.205 -0.155 19438 8425 1 11 . 1 1 39 39 GLU H H 39 7.517 7.517 7.616 -0.099 19438 8426 1 11 . 1 1 40 40 ILE N N 40 122.000 122.000 120.609 1.391 19438 8427 1 11 . 1 1 40 40 ILE HA H 40 3.710 3.710 3.791 -0.081 19438 8428 1 11 . 1 1 40 40 ILE C C 40 177.890 177.890 177.595 0.295 19438 8429 1 11 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.510 0.730 19438 8430 1 11 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.224 -1.324 19438 8431 1 11 . 1 1 40 40 ILE H H 40 8.220 8.220 8.309 -0.089 19438 8432 1 11 . 1 1 41 41 VAL N N 41 120.760 120.760 121.630 -0.870 19438 8433 1 11 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.552 -0.166 19438 8434 1 11 . 1 1 41 41 VAL C C 41 179.090 179.090 177.849 1.241 19438 8435 1 11 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.501 0.358 19438 8436 1 11 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.433 -0.103 19438 8437 1 11 . 1 1 41 41 VAL H H 41 8.737 8.737 8.491 0.246 19438 8438 1 11 . 1 1 42 42 ASN N N 42 119.950 119.950 117.420 2.530 19438 8439 1 11 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.644 -0.037 19438 8440 1 11 . 1 1 42 42 ASN C C 42 178.080 178.080 177.455 0.625 19438 8441 1 11 . 1 1 42 42 ASN CA C 42 55.880 55.880 55.588 0.292 19438 8442 1 11 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.096 -0.606 19438 8443 1 11 . 1 1 42 42 ASN H H 42 8.542 8.542 8.573 -0.031 19438 8444 1 11 . 1 1 43 43 GLY N N 43 112.070 112.070 108.931 3.139 19438 8445 1 11 . 1 1 43 43 GLY C C 43 176.070 176.070 175.901 0.169 19438 8446 1 11 . 1 1 43 43 GLY CA C 43 47.590 47.590 46.601 0.989 19438 8447 1 11 . 1 1 43 43 GLY H H 43 8.387 8.387 7.481 0.906 19438 8448 1 11 . 1 1 44 44 VAL N N 44 122.900 122.900 122.539 0.361 19438 8449 1 11 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.613 -0.086 19438 8450 1 11 . 1 1 44 44 VAL C C 44 176.700 176.700 177.245 -0.545 19438 8451 1 11 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.647 0.193 19438 8452 1 11 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.331 -0.081 19438 8453 1 11 . 1 1 44 44 VAL H H 44 9.078 9.078 8.386 0.692 19438 8454 1 11 . 1 1 45 45 ASP N N 45 119.070 119.070 119.880 -0.810 19438 8455 1 11 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.182 0.010 19438 8456 1 11 . 1 1 45 45 ASP C C 45 176.540 176.540 178.368 -1.828 19438 8457 1 11 . 1 1 45 45 ASP CA C 45 58.490 58.490 58.463 0.027 19438 8458 1 11 . 1 1 45 45 ASP CB C 45 42.940 42.940 41.014 1.926 19438 8459 1 11 . 1 1 45 45 ASP H H 45 7.745 7.745 8.465 -0.720 19438 8460 1 11 . 1 1 46 46 ARG N N 46 115.750 115.750 119.620 -3.870 19438 8461 1 11 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.207 -0.213 19438 8462 1 11 . 1 1 46 46 ARG C C 46 179.760 179.760 178.872 0.888 19438 8463 1 11 . 1 1 46 46 ARG CA C 46 59.630 59.630 58.599 1.031 19438 8464 1 11 . 1 1 46 46 ARG CB C 46 30.190 30.190 29.835 0.355 19438 8465 1 11 . 1 1 46 46 ARG H H 46 7.557 7.557 7.486 0.071 19438 8466 1 11 . 1 1 47 47 VAL N N 47 118.740 118.740 120.046 -1.306 19438 8467 1 11 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.678 0.234 19438 8468 1 11 . 1 1 47 47 VAL C C 47 179.150 179.150 178.229 0.921 19438 8469 1 11 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.626 -0.586 19438 8470 1 11 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.741 0.030 19438 8471 1 11 . 1 1 47 47 VAL H H 47 8.187 8.187 7.684 0.503 19438 8472 1 11 . 1 1 48 48 ILE N N 48 122.340 122.340 119.537 2.803 19438 8473 1 11 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.803 -0.106 19438 8474 1 11 . 1 1 48 48 ILE C C 48 178.130 178.130 178.085 0.045 19438 8475 1 11 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.391 1.249 19438 8476 1 11 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.564 -0.934 19438 8477 1 11 . 1 1 48 48 ILE H H 48 8.786 8.786 8.443 0.343 19438 8478 1 11 . 1 1 49 49 LYS N N 49 116.860 116.860 119.713 -2.853 19438 8479 1 11 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.220 -0.161 19438 8480 1 11 . 1 1 49 49 LYS C C 49 178.120 178.120 177.476 0.644 19438 8481 1 11 . 1 1 49 49 LYS CA C 49 60.270 60.270 58.896 1.374 19438 8482 1 11 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.569 0.530 19438 8483 1 11 . 1 1 49 49 LYS H H 49 7.785 7.785 8.431 -0.646 19438 8484 1 11 . 1 1 50 50 ALA N N 50 117.520 117.520 122.342 -4.822 19438 8485 1 11 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.473 -0.117 19438 8486 1 11 . 1 1 50 50 ALA C C 50 179.940 179.940 178.240 1.700 19438 8487 1 11 . 1 1 50 50 ALA CA C 50 53.960 53.960 54.319 -0.359 19438 8488 1 11 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.332 0.028 19438 8489 1 11 . 1 1 50 50 ALA H H 50 7.740 7.740 7.974 -0.234 19438 8490 1 11 . 1 1 51 51 SER N N 51 111.860 111.860 113.279 -1.419 19438 8491 1 11 . 1 1 51 51 SER HA H 51 4.287 4.287 4.277 0.010 19438 8492 1 11 . 1 1 51 51 SER C C 51 172.840 172.840 173.650 -0.810 19438 8493 1 11 . 1 1 51 51 SER CA C 51 60.610 60.610 59.582 1.028 19438 8494 1 11 . 1 1 51 51 SER CB C 51 64.500 64.500 63.634 0.866 19438 8495 1 11 . 1 1 51 51 SER H H 51 7.957 7.957 8.218 -0.261 19438 8496 1 11 . 1 1 52 52 PHE N N 52 116.210 116.210 115.612 0.598 19438 8497 1 11 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.736 0.041 19438 8498 1 11 . 1 1 52 52 PHE C C 52 174.210 174.210 174.303 -0.093 19438 8499 1 11 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.797 -0.507 19438 8500 1 11 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.712 0.868 19438 8501 1 11 . 1 1 52 52 PHE H H 52 7.901 7.901 7.522 0.379 19438 8502 1 11 . 1 1 53 53 ASN N N 53 117.890 117.890 120.176 -2.286 19438 8503 1 11 . 1 1 53 53 ASN HA H 53 4.902 4.902 5.012 -0.110 19438 8504 1 11 . 1 1 53 53 ASN C C 53 175.120 175.120 173.605 1.515 19438 8505 1 11 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.678 1.272 19438 8506 1 11 . 1 1 53 53 ASN CB C 53 37.550 37.550 40.367 -2.817 19438 8507 1 11 . 1 1 53 53 ASN H H 53 8.205 8.205 8.842 -0.637 19438 8508 1 11 . 1 1 54 54 ALA N N 54 125.300 125.300 128.608 -3.308 19438 8509 1 11 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.817 -0.376 19438 8510 1 11 . 1 1 54 54 ALA C C 54 176.800 176.800 176.131 0.669 19438 8511 1 11 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.104 1.456 19438 8512 1 11 . 1 1 54 54 ALA CB C 54 24.080 24.080 22.316 1.764 19438 8513 1 11 . 1 1 54 54 ALA H H 54 8.246 8.246 8.161 0.085 19438 8514 1 11 . 1 1 55 55 SER N N 55 115.850 115.850 118.058 -2.208 19438 8515 1 11 . 1 1 55 55 SER HA H 55 4.789 4.789 4.891 -0.102 19438 8516 1 11 . 1 1 55 55 SER C C 55 172.830 172.830 173.856 -1.026 19438 8517 1 11 . 1 1 55 55 SER CA C 55 57.200 57.200 56.934 0.265 19438 8518 1 11 . 1 1 55 55 SER CB C 55 65.460 65.460 65.762 -0.302 19438 8519 1 11 . 1 1 55 55 SER H H 55 8.606 8.606 8.834 -0.228 19438 8520 1 11 . 1 1 56 56 VAL N N 56 121.700 121.700 125.855 -4.155 19438 8521 1 11 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.318 0.476 19438 8522 1 11 . 1 1 56 56 VAL C C 56 173.160 173.160 174.923 -1.763 19438 8523 1 11 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.286 -0.276 19438 8524 1 11 . 1 1 56 56 VAL CB C 56 35.570 35.570 32.612 2.958 19438 8525 1 11 . 1 1 56 56 VAL H H 56 8.648 8.648 8.946 -0.298 19438 8526 1 11 . 1 1 57 57 GLU N N 57 126.130 126.130 130.437 -4.307 19438 8527 1 11 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.492 0.020 19438 8528 1 11 . 1 1 57 57 GLU C C 57 174.090 174.090 175.105 -1.015 19438 8529 1 11 . 1 1 57 57 GLU CA C 57 54.550 54.550 55.176 -0.626 19438 8530 1 11 . 1 1 57 57 GLU CB C 57 33.910 33.910 30.536 3.374 19438 8531 1 11 . 1 1 57 57 GLU H H 57 8.122 8.122 9.099 -0.977 19438 8532 1 11 . 1 1 58 58 GLU N N 58 124.740 124.740 125.191 -0.451 19438 8533 1 11 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.864 -0.177 19438 8534 1 11 . 1 1 58 58 GLU C C 58 175.410 175.410 175.388 0.022 19438 8535 1 11 . 1 1 58 58 GLU CA C 58 55.990 55.990 55.183 0.807 19438 8536 1 11 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.177 0.153 19438 8537 1 11 . 1 1 58 58 GLU H H 58 8.610 8.610 8.708 -0.098 19438 8538 1 11 . 1 1 59 59 LEU N N 59 126.780 126.780 125.784 0.996 19438 8539 1 11 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.718 -0.007 19438 8540 1 11 . 1 1 59 59 LEU C C 59 175.970 175.970 176.423 -0.453 19438 8541 1 11 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.204 0.576 19438 8542 1 11 . 1 1 59 59 LEU CB C 59 45.320 45.320 44.853 0.467 19438 8543 1 11 . 1 1 59 59 LEU H H 59 8.259 8.259 9.107 -0.848 19438 8544 1 11 . 1 1 60 60 GLU N N 60 119.810 119.810 119.360 0.450 19438 8545 1 11 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.481 -0.133 19438 8546 1 11 . 1 1 60 60 GLU C C 60 177.560 177.560 175.896 1.664 19438 8547 1 11 . 1 1 60 60 GLU CA C 60 57.340 57.340 54.334 3.006 19438 8548 1 11 . 1 1 60 60 GLU CB C 60 30.260 30.260 30.575 -0.314 19438 8549 1 11 . 1 1 60 60 GLU H H 60 8.258 8.258 8.281 -0.023 19438 8550 1 11 . 1 1 61 61 GLY N N 61 117.720 117.720 108.450 9.270 19438 8551 1 11 . 1 1 61 61 GLY C C 61 174.320 174.320 173.550 0.770 19438 8552 1 11 . 1 1 61 61 GLY CA C 61 44.570 44.570 43.901 0.669 19438 8553 1 11 . 1 1 61 61 GLY H H 61 8.726 8.726 8.397 0.329 19438 8554 1 11 . 1 1 62 62 GLU N N 62 121.700 121.700 119.191 2.509 19438 8555 1 11 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.222 0.309 19438 8556 1 11 . 1 1 62 62 GLU C C 62 177.690 177.690 177.932 -0.242 19438 8557 1 11 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.131 -0.581 19438 8558 1 11 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.088 1.212 19438 8559 1 11 . 1 1 62 62 GLU H H 62 9.337 9.337 8.456 0.881 19438 8560 1 11 . 1 1 63 63 ASP N N 63 120.760 120.760 119.306 1.454 19438 8561 1 11 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.377 -0.047 19438 8562 1 11 . 1 1 63 63 ASP C C 63 178.080 178.080 176.561 1.519 19438 8563 1 11 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.270 0.660 19438 8564 1 11 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.523 0.247 19438 8565 1 11 . 1 1 63 63 ASP H H 63 8.632 8.632 8.873 -0.241 19438 8566 1 11 . 1 1 64 64 CYS N N 64 113.520 113.520 118.010 -4.490 19438 8567 1 11 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.485 -0.053 19438 8568 1 11 . 1 1 64 64 CYS C C 64 173.700 173.700 173.703 -0.003 19438 8569 1 11 . 1 1 64 64 CYS CA C 64 57.170 57.170 58.400 -1.230 19438 8570 1 11 . 1 1 64 64 CYS CB C 64 41.210 41.210 27.862 13.348 19438 8571 1 11 . 1 1 64 64 CYS H H 64 7.962 7.962 8.131 -0.169 19438 8572 1 11 . 1 1 65 65 ASP N N 65 120.200 120.200 119.524 0.676 19438 8573 1 11 . 1 1 65 65 ASP HA H 65 5.190 5.190 5.115 0.075 19438 8574 1 11 . 1 1 65 65 ASP C C 65 176.540 176.540 175.561 0.979 19438 8575 1 11 . 1 1 65 65 ASP CA C 65 54.310 54.310 54.404 -0.094 19438 8576 1 11 . 1 1 65 65 ASP CB C 65 41.150 41.150 43.813 -2.663 19438 8577 1 11 . 1 1 65 65 ASP H H 65 7.936 7.936 7.768 0.168 19438 8578 1 11 . 1 1 66 66 VAL N N 66 122.070 122.070 118.396 3.674 19438 8579 1 11 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.269 -0.002 19438 8580 1 11 . 1 1 66 66 VAL C C 66 176.000 176.000 175.299 0.701 19438 8581 1 11 . 1 1 66 66 VAL CA C 66 63.190 63.190 62.754 0.436 19438 8582 1 11 . 1 1 66 66 VAL CB C 66 32.430 32.430 33.698 -1.268 19438 8583 1 11 . 1 1 66 66 VAL H H 66 9.431 9.431 9.039 0.392 19438 8584 1 11 . 1 1 67 67 LEU N N 67 119.700 119.700 120.301 -0.601 19438 8585 1 11 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.692 -0.053 19438 8586 1 11 . 1 1 67 67 LEU C C 67 174.400 174.400 173.759 0.641 19438 8587 1 11 . 1 1 67 67 LEU CA C 67 55.100 55.100 54.895 0.205 19438 8588 1 11 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.042 -0.022 19438 8589 1 11 . 1 1 67 67 LEU H H 67 7.625 7.625 7.485 0.140 19438 8590 1 11 . 1 1 68 68 TYR N N 68 126.330 126.330 127.400 -1.070 19438 8591 1 11 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.232 0.618 19438 8592 1 11 . 1 1 68 68 TYR C C 68 173.460 173.460 173.284 0.176 19438 8593 1 11 . 1 1 68 68 TYR CA C 68 54.660 54.660 56.054 -1.394 19438 8594 1 11 . 1 1 68 68 TYR CB C 68 38.140 38.140 40.580 -2.440 19438 8595 1 11 . 1 1 68 68 TYR H H 68 9.086 9.086 9.265 -0.179 19438 8596 1 11 . 1 1 69 69 ARG N N 69 127.440 127.440 128.270 -0.830 19438 8597 1 11 . 1 1 69 69 ARG HA H 69 4.860 4.860 4.994 -0.134 19438 8598 1 11 . 1 1 69 69 ARG C C 69 173.030 173.030 174.865 -1.835 19438 8599 1 11 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.518 -0.088 19438 8600 1 11 . 1 1 69 69 ARG CB C 69 35.030 35.030 31.910 3.120 19438 8601 1 11 . 1 1 69 69 ARG H H 69 9.569 9.569 9.465 0.104 19438 8602 1 11 . 1 1 70 70 LYS N N 70 122.850 122.850 127.186 -4.336 19438 8603 1 11 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.162 -0.157 19438 8604 1 11 . 1 1 70 70 LYS C C 70 175.830 175.830 175.021 0.809 19438 8605 1 11 . 1 1 70 70 LYS CA C 70 54.690 54.690 55.305 -0.615 19438 8606 1 11 . 1 1 70 70 LYS CB C 70 36.040 36.040 34.749 1.291 19438 8607 1 11 . 1 1 70 70 LYS H H 70 8.612 8.612 9.027 -0.415 19438 8608 1 11 . 1 1 71 71 TYR N N 71 129.420 129.420 128.032 1.388 19438 8609 1 11 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.186 0.116 19438 8610 1 11 . 1 1 71 71 TYR C C 71 175.710 175.710 175.990 -0.280 19438 8611 1 11 . 1 1 71 71 TYR CA C 71 56.960 56.960 57.414 -0.454 19438 8612 1 11 . 1 1 71 71 TYR CB C 71 40.330 40.330 39.746 0.584 19438 8613 1 11 . 1 1 71 71 TYR H H 71 9.762 9.762 9.514 0.248 19438 8614 1 11 . 1 1 72 72 THR N N 72 119.820 119.820 122.359 -2.539 19438 8615 1 11 . 1 1 72 72 THR HA H 72 4.707 4.707 4.675 0.032 19438 8616 1 11 . 1 1 72 72 THR C C 72 173.860 173.860 173.417 0.443 19438 8617 1 11 . 1 1 72 72 THR CA C 72 63.250 63.250 62.894 0.356 19438 8618 1 11 . 1 1 72 72 THR CB C 72 69.370 69.370 69.595 -0.225 19438 8619 1 11 . 1 1 72 72 THR H H 72 8.845 8.845 9.351 -0.506 19438 8620 1 11 . 1 1 73 73 LEU N N 73 125.420 125.420 128.516 -3.096 19438 8621 1 11 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.301 -0.172 19438 8622 1 11 . 1 1 73 73 LEU C C 73 175.760 175.760 175.547 0.213 19438 8623 1 11 . 1 1 73 73 LEU CA C 73 54.080 54.080 53.428 0.652 19438 8624 1 11 . 1 1 73 73 LEU CB C 73 45.350 45.350 44.072 1.278 19438 8625 1 11 . 1 1 73 73 LEU H H 73 8.929 8.929 9.402 -0.473 19438 8626 1 11 . 1 1 74 74 GLU N N 74 120.090 120.090 123.013 -2.923 19438 8627 1 11 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.340 -0.126 19438 8628 1 11 . 1 1 74 74 GLU C C 74 175.400 175.400 174.766 0.634 19438 8629 1 11 . 1 1 74 74 GLU CA C 74 55.740 55.740 54.799 0.941 19438 8630 1 11 . 1 1 74 74 GLU CB C 74 33.040 33.040 34.206 -1.166 19438 8631 1 11 . 1 1 74 74 GLU H H 74 8.311 8.311 9.175 -0.864 19438 8632 1 11 . 1 1 75 75 LYS N N 75 124.230 124.230 123.093 1.137 19438 8633 1 11 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.749 -0.276 19438 8634 1 11 . 1 1 75 75 LYS C C 75 175.380 175.380 174.718 0.662 19438 8635 1 11 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.086 2.974 19438 8636 1 11 . 1 1 75 75 LYS CB C 75 35.740 35.740 35.984 -0.244 19438 8637 1 11 . 1 1 75 75 LYS H H 75 8.691 8.691 8.915 -0.224 19438 8638 1 11 . 1 1 76 76 GLU N N 76 127.760 127.760 121.865 5.895 19438 8639 1 11 . 1 1 76 76 GLU HA H 76 3.903 3.903 4.044 -0.141 19438 8640 1 11 . 1 1 76 76 GLU C C 76 176.190 176.190 177.237 -1.047 19438 8641 1 11 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.824 -0.374 19438 8642 1 11 . 1 1 76 76 GLU CB C 76 27.830 27.830 27.418 0.412 19438 8643 1 11 . 1 1 76 76 GLU H H 76 9.556 9.556 9.029 0.527 19438 8644 1 11 . 1 1 77 77 GLY N N 77 106.560 106.560 110.916 -4.356 19438 8645 1 11 . 1 1 77 77 GLY C C 77 174.320 174.320 174.242 0.078 19438 8646 1 11 . 1 1 77 77 GLY CA C 77 45.640 45.640 45.382 0.258 19438 8647 1 11 . 1 1 77 77 GLY H H 77 8.928 8.928 8.286 0.642 19438 8648 1 11 . 1 1 78 78 LYS N N 78 121.600 121.600 118.957 2.643 19438 8649 1 11 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.716 -0.131 19438 8650 1 11 . 1 1 78 78 LYS C C 78 175.240 175.240 174.954 0.286 19438 8651 1 11 . 1 1 78 78 LYS CA C 78 55.380 55.380 54.394 0.986 19438 8652 1 11 . 1 1 78 78 LYS CB C 78 33.490 33.490 35.971 -2.481 19438 8653 1 11 . 1 1 78 78 LYS H H 78 8.015 8.015 8.059 -0.044 19438 8654 1 11 . 1 1 79 79 LYS N N 79 120.990 120.990 118.185 2.805 19438 8655 1 11 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.005 0.194 19438 8656 1 11 . 1 1 79 79 LYS C C 79 176.150 176.150 174.792 1.358 19438 8657 1 11 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.876 0.194 19438 8658 1 11 . 1 1 79 79 LYS CB C 79 35.080 35.080 36.309 -1.229 19438 8659 1 11 . 1 1 79 79 LYS H H 79 8.438 8.438 8.495 -0.057 19438 8660 1 11 . 1 1 80 80 GLY N N 80 107.840 107.840 108.266 -0.426 19438 8661 1 11 . 1 1 80 80 GLY C C 80 170.430 170.430 171.596 -1.166 19438 8662 1 11 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.119 0.141 19438 8663 1 11 . 1 1 80 80 GLY H H 80 8.391 8.391 8.421 -0.030 19438 8664 1 11 . 1 1 81 81 ILE N N 81 120.670 120.670 118.443 2.227 19438 8665 1 11 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.189 0.093 19438 8666 1 11 . 1 1 81 81 ILE C C 81 175.210 175.210 174.524 0.686 19438 8667 1 11 . 1 1 81 81 ILE CA C 81 58.640 58.640 59.393 -0.753 19438 8668 1 11 . 1 1 81 81 ILE CB C 81 42.420 42.420 42.685 -0.265 19438 8669 1 11 . 1 1 81 81 ILE H H 81 8.623 8.623 8.831 -0.208 19438 8670 1 11 . 1 1 82 82 VAL N N 82 121.970 121.970 123.849 -1.879 19438 8671 1 11 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.618 0.096 19438 8672 1 11 . 1 1 82 82 VAL C C 82 174.230 174.230 174.756 -0.526 19438 8673 1 11 . 1 1 82 82 VAL CA C 82 61.010 61.010 61.321 -0.311 19438 8674 1 11 . 1 1 82 82 VAL CB C 82 35.260 35.260 33.764 1.496 19438 8675 1 11 . 1 1 82 82 VAL H H 82 8.967 8.967 9.098 -0.131 19438 8676 1 11 . 1 1 83 83 HIS N N 83 129.690 129.690 127.964 1.726 19438 8677 1 11 . 1 1 83 83 HIS HA H 83 5.219 5.219 4.982 0.237 19438 8678 1 11 . 1 1 83 83 HIS C C 83 174.960 174.960 174.451 0.509 19438 8679 1 11 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.388 1.052 19438 8680 1 11 . 1 1 83 83 HIS CB C 83 32.240 32.240 29.135 3.105 19438 8681 1 11 . 1 1 83 83 HIS H H 83 8.960 8.960 9.473 -0.513 19438 8682 1 11 . 1 1 84 84 VAL N N 84 125.620 125.620 127.035 -1.415 19438 8683 1 11 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.605 0.521 19438 8684 1 11 . 1 1 84 84 VAL C C 84 174.590 174.590 174.320 0.270 19438 8685 1 11 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.633 0.597 19438 8686 1 11 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.225 1.795 19438 8687 1 11 . 1 1 84 84 VAL H H 84 9.834 9.834 9.257 0.577 19438 8688 1 11 . 1 1 85 85 LYS N N 85 125.370 125.370 126.722 -1.352 19438 8689 1 11 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.433 0.031 19438 8690 1 11 . 1 1 85 85 LYS C C 85 174.890 174.890 174.805 0.085 19438 8691 1 11 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.421 0.789 19438 8692 1 11 . 1 1 85 85 LYS CB C 85 36.430 36.430 36.466 -0.036 19438 8693 1 11 . 1 1 85 85 LYS H H 85 9.517 9.517 9.125 0.392 19438 8694 1 11 . 1 1 86 86 LEU N N 86 123.830 123.830 124.020 -0.190 19438 8695 1 11 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.757 0.390 19438 8696 1 11 . 1 1 86 86 LEU C C 86 174.760 174.760 175.350 -0.590 19438 8697 1 11 . 1 1 86 86 LEU CA C 86 54.210 54.210 53.999 0.211 19438 8698 1 11 . 1 1 86 86 LEU CB C 86 44.830 44.830 43.119 1.711 19438 8699 1 11 . 1 1 86 86 LEU H H 86 8.400 8.400 9.159 -0.759 19438 8700 1 11 . 1 1 87 87 ARG N N 87 128.610 128.610 125.465 3.145 19438 8701 1 11 . 1 1 87 87 ARG HA H 87 5.473 5.473 4.895 0.578 19438 8702 1 11 . 1 1 87 87 ARG C C 87 176.130 176.130 174.641 1.489 19438 8703 1 11 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.710 0.260 19438 8704 1 11 . 1 1 87 87 ARG CB C 87 34.230 34.230 33.523 0.708 19438 8705 1 11 . 1 1 87 87 ARG H H 87 9.647 9.647 9.237 0.410 19438 8706 1 11 . 1 1 88 88 LYS N N 88 122.810 122.810 127.171 -4.361 19438 8707 1 11 . 1 1 88 88 LYS HA H 88 4.138 4.138 3.589 0.549 19438 8708 1 11 . 1 1 88 88 LYS C C 88 174.890 174.890 175.531 -0.641 19438 8709 1 11 . 1 1 88 88 LYS CA C 88 56.330 56.330 54.967 1.363 19438 8710 1 11 . 1 1 88 88 LYS CB C 88 34.310 34.310 33.111 1.199 19438 8711 1 11 . 1 1 88 88 LYS H H 88 8.510 8.510 8.348 0.162 19438 8712 1 11 . 1 1 89 89 ILE N N 89 120.880 120.880 130.410 -9.530 19438 8713 1 11 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.297 0.334 19438 8714 1 11 . 1 1 89 89 ILE C C 89 176.400 176.400 174.692 1.708 19438 8715 1 11 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.541 -0.871 19438 8716 1 11 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.799 -1.079 19438 8717 1 11 . 1 1 89 89 ILE H H 89 7.470 7.470 8.346 -0.876 19438 8718 1 11 . 1 1 90 90 THR N N 90 116.610 116.610 123.694 -7.084 19438 8719 1 11 . 1 1 90 90 THR HA H 90 4.700 4.700 4.607 0.093 19438 8720 1 11 . 1 1 90 90 THR CA C 90 59.100 59.100 60.374 -1.274 19438 8721 1 11 . 1 1 90 90 THR CB C 90 72.600 72.600 71.606 0.994 19438 8722 1 11 . 1 1 90 90 THR H H 90 7.701 7.701 8.336 -0.635 19438 8723 1 11 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.253 -0.223 19438 8724 1 11 . 1 1 91 91 GLU C C 91 177.100 177.100 177.161 -0.061 19438 8725 1 11 . 1 1 91 91 GLU CA C 91 59.640 59.640 57.557 2.083 19438 8726 1 11 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.882 -0.832 19438 8727 1 11 . 1 1 92 92 ASN N N 92 113.650 113.650 117.452 -3.802 19438 8728 1 11 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.641 0.059 19438 8729 1 11 . 1 1 92 92 ASN C C 92 174.100 174.100 174.114 -0.014 19438 8730 1 11 . 1 1 92 92 ASN CA C 92 53.490 53.490 54.171 -0.681 19438 8731 1 11 . 1 1 92 92 ASN CB C 92 39.270 39.270 39.077 0.193 19438 8732 1 11 . 1 1 92 92 ASN H H 92 7.915 7.915 8.013 -0.098 19438 8733 1 11 . 1 1 93 93 CYS N N 93 120.190 120.190 120.743 -0.553 19438 8734 1 11 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.796 0.280 19438 8735 1 11 . 1 1 93 93 CYS CA C 93 52.610 52.610 55.419 -2.809 19438 8736 1 11 . 1 1 93 93 CYS CB C 93 42.090 42.090 26.878 15.212 19438 8737 1 11 . 1 1 93 93 CYS H H 93 7.514 7.514 7.891 -0.377 19438 8738 1 11 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.925 -0.135 19438 8739 1 11 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.374 0.126 19438 8740 1 11 . 1 1 95 95 PRO C C 95 177.770 177.770 176.214 1.556 19438 8741 1 11 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.790 -0.050 19438 8742 1 11 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.020 0.080 19438 8743 1 11 . 1 1 96 96 VAL N N 96 123.600 123.600 122.238 1.362 19438 8744 1 11 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.211 -0.264 19438 8745 1 11 . 1 1 96 96 VAL C C 96 175.780 175.780 176.089 -0.309 19438 8746 1 11 . 1 1 96 96 VAL CA C 96 62.100 62.100 60.998 1.102 19438 8747 1 11 . 1 1 96 96 VAL CB C 96 32.580 32.580 32.733 -0.153 19438 8748 1 11 . 1 1 96 96 VAL H H 96 9.071 9.071 8.130 0.941 19438 8749 1 11 . 1 1 97 97 ASP N N 97 125.400 125.400 124.549 0.851 19438 8750 1 11 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.761 -0.091 19438 8751 1 11 . 1 1 97 97 ASP C C 97 175.410 175.410 175.522 -0.112 19438 8752 1 11 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.917 0.093 19438 8753 1 11 . 1 1 97 97 ASP CB C 97 41.580 41.580 40.903 0.677 19438 8754 1 11 . 1 1 97 97 ASP H H 97 8.313 8.313 8.496 -0.183 19438 8755 1 11 . 1 1 98 98 GLY N N 98 108.310 108.310 109.655 -1.345 19438 8756 1 11 . 1 1 98 98 GLY C C 98 173.140 173.140 173.755 -0.615 19438 8757 1 11 . 1 1 98 98 GLY CA C 98 45.270 45.270 44.090 1.180 19438 8758 1 11 . 1 1 98 98 GLY H H 98 7.838 7.838 8.028 -0.190 19438 8759 1 11 . 1 1 99 99 ASN N N 99 120.050 120.050 120.619 -0.569 19438 8760 1 11 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.553 0.629 19438 8761 1 11 . 1 1 99 99 ASN C C 99 174.700 174.700 174.454 0.246 19438 8762 1 11 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.779 -0.659 19438 8763 1 11 . 1 1 99 99 ASN CB C 99 39.360 39.360 39.148 0.212 19438 8764 1 11 . 1 1 99 99 ASN H H 99 8.685 8.685 8.134 0.551 19438 8765 1 11 . 1 1 100 100 ARG N N 100 121.100 121.100 126.023 -4.923 19438 8766 1 11 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.741 0.168 19438 8767 1 11 . 1 1 100 100 ARG C C 100 176.930 176.930 175.633 1.297 19438 8768 1 11 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.489 0.321 19438 8769 1 11 . 1 1 100 100 ARG CB C 100 31.710 31.710 31.407 0.302 19438 8770 1 11 . 1 1 100 100 ARG H H 100 8.502 8.502 8.345 0.157 19438 8771 1 11 . 1 1 101 101 CYS N N 101 121.180 121.180 125.977 -4.797 19438 8772 1 11 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.389 0.317 19438 8773 1 11 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.462 -3.192 19438 8774 1 11 . 1 1 101 101 CYS H H 101 8.607 8.607 8.746 -0.139 19438 8775 1 11 . 1 1 102 102 SER HA H 102 4.565 4.565 4.485 0.080 19438 8776 1 11 . 1 1 102 102 SER C C 102 174.220 174.220 173.416 0.804 19438 8777 1 11 . 1 1 102 102 SER CA C 102 57.900 57.900 58.547 -0.647 19438 8778 1 11 . 1 1 102 102 SER CB C 102 63.700 63.700 61.707 1.993 19438 8779 1 11 . 1 1 103 103 VAL N N 103 122.910 122.910 124.369 -1.459 19438 8780 1 11 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.054 0.168 19438 8781 1 11 . 1 1 103 103 VAL C C 103 175.070 175.070 175.287 -0.217 19438 8782 1 11 . 1 1 103 103 VAL CA C 103 62.440 62.440 62.041 0.399 19438 8783 1 11 . 1 1 103 103 VAL H H 103 8.332 8.332 7.932 0.400 19438 8784 1 11 . 1 1 104 104 LEU N N 104 125.940 125.940 125.357 0.583 19438 8785 1 11 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.628 -0.215 19438 8786 1 11 . 1 1 104 104 LEU C C 104 177.220 177.220 175.865 1.355 19438 8787 1 11 . 1 1 104 104 LEU CA C 104 55.930 55.930 56.042 -0.112 19438 8788 1 11 . 1 1 104 104 LEU CB C 104 42.890 42.890 44.211 -1.321 19438 8789 1 11 . 1 1 104 104 LEU H H 104 8.831 8.831 8.816 0.015 19438 8790 1 11 . 1 1 105 105 GLU N N 105 120.540 120.540 118.317 2.223 19438 8791 1 11 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.647 -0.236 19438 8792 1 11 . 1 1 105 105 GLU C C 105 175.400 175.400 176.555 -1.155 19438 8793 1 11 . 1 1 105 105 GLU CA C 105 55.890 55.890 55.169 0.721 19438 8794 1 11 . 1 1 105 105 GLU CB C 105 30.460 30.460 32.887 -2.427 19438 8795 1 11 . 1 1 105 105 GLU H H 105 8.070 8.070 7.715 0.355 19438 8796 1 11 . 1 1 106 106 PHE N N 106 124.060 124.060 122.921 1.139 19438 8797 1 11 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.307 -0.246 19438 8798 1 11 . 1 1 106 106 PHE C C 106 175.880 175.880 176.747 -0.867 19438 8799 1 11 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.828 0.292 19438 8800 1 11 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.503 0.167 19438 8801 1 11 . 1 1 106 106 PHE H H 106 8.666 8.666 8.931 -0.265 19438 8802 1 11 . 1 1 107 107 GLU N N 107 117.290 117.290 118.229 -0.939 19438 8803 1 11 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.724 0.162 19438 8804 1 11 . 1 1 107 107 GLU C C 107 178.050 178.050 178.837 -0.787 19438 8805 1 11 . 1 1 107 107 GLU CA C 107 59.360 59.360 59.164 0.196 19438 8806 1 11 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.142 0.188 19438 8807 1 11 . 1 1 107 107 GLU H H 107 8.932 8.932 8.762 0.170 19438 8808 1 11 . 1 1 108 108 ARG N N 108 117.240 117.240 117.610 -0.370 19438 8809 1 11 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.211 0.097 19438 8810 1 11 . 1 1 108 108 ARG C C 108 177.930 177.930 178.222 -0.292 19438 8811 1 11 . 1 1 108 108 ARG CA C 108 57.120 57.120 57.644 -0.524 19438 8812 1 11 . 1 1 108 108 ARG CB C 108 31.110 31.110 30.289 0.821 19438 8813 1 11 . 1 1 108 108 ARG H H 108 7.533 7.533 7.879 -0.346 19438 8814 1 11 . 1 1 109 109 ASP N N 109 120.040 120.040 120.212 -0.172 19438 8815 1 11 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.476 0.123 19438 8816 1 11 . 1 1 109 109 ASP C C 109 177.980 177.980 178.438 -0.458 19438 8817 1 11 . 1 1 109 109 ASP CA C 109 56.810 56.810 56.585 0.225 19438 8818 1 11 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.523 0.977 19438 8819 1 11 . 1 1 109 109 ASP H H 109 8.295 8.295 8.096 0.199 19438 8820 1 11 . 1 1 110 110 ILE N N 110 118.710 118.710 120.720 -2.010 19438 8821 1 11 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.660 0.134 19438 8822 1 11 . 1 1 110 110 ILE C C 110 176.740 176.740 176.776 -0.036 19438 8823 1 11 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.728 -1.878 19438 8824 1 11 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.674 -0.644 19438 8825 1 11 . 1 1 110 110 ILE H H 110 8.081 8.081 8.386 -0.305 19438 8826 1 11 . 1 1 111 111 GLU N N 111 121.140 121.140 120.002 1.138 19438 8827 1 11 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.944 0.018 19438 8828 1 11 . 1 1 111 111 GLU C C 111 177.400 177.400 178.595 -1.195 19438 8829 1 11 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.468 0.132 19438 8830 1 11 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.291 0.009 19438 8831 1 11 . 1 1 111 111 GLU H H 111 7.558 7.558 7.734 -0.176 19438 8832 1 11 . 1 1 112 112 CYS N N 112 117.380 117.380 118.891 -1.511 19438 8833 1 11 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.139 -0.036 19438 8834 1 11 . 1 1 112 112 CYS C C 112 176.570 176.570 176.927 -0.357 19438 8835 1 11 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.083 -2.793 19438 8836 1 11 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.050 15.860 19438 8837 1 11 . 1 1 112 112 CYS H H 112 7.739 7.739 8.104 -0.365 19438 8838 1 11 . 1 1 113 113 ILE N N 113 118.520 118.520 121.300 -2.780 19438 8839 1 11 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.810 0.023 19438 8840 1 11 . 1 1 113 113 ILE C C 113 177.220 177.220 178.206 -0.986 19438 8841 1 11 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.924 -0.514 19438 8842 1 11 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.717 0.713 19438 8843 1 11 . 1 1 113 113 ILE H H 113 7.682 7.682 8.288 -0.606 19438 8844 1 11 . 1 1 114 114 VAL N N 114 120.390 120.390 120.489 -0.099 19438 8845 1 11 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.529 -0.061 19438 8846 1 11 . 1 1 114 114 VAL C C 114 177.970 177.970 177.987 -0.017 19438 8847 1 11 . 1 1 114 114 VAL CA C 114 67.960 67.960 66.768 1.192 19438 8848 1 11 . 1 1 114 114 VAL CB C 114 31.730 31.730 30.819 0.911 19438 8849 1 11 . 1 1 114 114 VAL H H 114 7.765 7.765 8.345 -0.580 19438 8850 1 11 . 1 1 115 115 LYS N N 115 118.840 118.840 120.764 -1.924 19438 8851 1 11 . 1 1 115 115 LYS HA H 115 4.129 4.129 3.936 0.193 19438 8852 1 11 . 1 1 115 115 LYS C C 115 178.870 178.870 178.560 0.310 19438 8853 1 11 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.996 -0.696 19438 8854 1 11 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.290 -0.380 19438 8855 1 11 . 1 1 115 115 LYS H H 115 8.314 8.314 8.481 -0.167 19438 8856 1 11 . 1 1 116 116 ALA N N 116 121.000 121.000 121.580 -0.580 19438 8857 1 11 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.018 0.208 19438 8858 1 11 . 1 1 116 116 ALA C C 116 181.600 181.600 179.707 1.893 19438 8859 1 11 . 1 1 116 116 ALA CA C 116 55.320 55.320 55.103 0.217 19438 8860 1 11 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.382 0.268 19438 8861 1 11 . 1 1 116 116 ALA H H 116 7.427 7.427 7.836 -0.409 19438 8862 1 11 . 1 1 117 117 ILE N N 117 120.090 120.090 118.533 1.557 19438 8863 1 11 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.472 -0.159 19438 8864 1 11 . 1 1 117 117 ILE C C 117 177.630 177.630 177.833 -0.203 19438 8865 1 11 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.488 1.022 19438 8866 1 11 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.501 0.359 19438 8867 1 11 . 1 1 117 117 ILE H H 117 8.121 8.121 7.698 0.423 19438 8868 1 11 . 1 1 118 118 GLU N N 118 119.300 119.300 119.730 -0.430 19438 8869 1 11 . 1 1 118 118 GLU HA H 118 3.886 3.886 3.993 -0.107 19438 8870 1 11 . 1 1 118 118 GLU C C 118 179.850 179.850 179.379 0.471 19438 8871 1 11 . 1 1 118 118 GLU CA C 118 60.760 60.760 60.041 0.719 19438 8872 1 11 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.185 0.465 19438 8873 1 11 . 1 1 118 118 GLU H H 118 8.657 8.657 8.491 0.166 19438 8874 1 11 . 1 1 119 119 GLU N N 119 119.080 119.080 119.473 -0.393 19438 8875 1 11 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.208 -0.140 19438 8876 1 11 . 1 1 119 119 GLU C C 119 178.670 178.670 178.931 -0.261 19438 8877 1 11 . 1 1 119 119 GLU CA C 119 59.390 59.390 58.946 0.444 19438 8878 1 11 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.499 0.221 19438 8879 1 11 . 1 1 119 119 GLU H H 119 8.596 8.596 8.446 0.150 19438 8880 1 11 . 1 1 120 120 CYS N N 120 117.950 117.950 119.395 -1.445 19438 8881 1 11 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.315 0.127 19438 8882 1 11 . 1 1 120 120 CYS C C 120 177.280 177.280 177.091 0.189 19438 8883 1 11 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.106 -3.626 19438 8884 1 11 . 1 1 120 120 CYS CB C 120 39.420 39.420 25.950 13.470 19438 8885 1 11 . 1 1 120 120 CYS H H 120 7.686 7.686 7.835 -0.149 19438 8886 1 11 . 1 1 121 121 LEU N N 121 118.000 118.000 120.122 -2.122 19438 8887 1 11 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.123 -0.102 19438 8888 1 11 . 1 1 121 121 LEU C C 121 179.010 179.010 178.950 0.060 19438 8889 1 11 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.644 0.026 19438 8890 1 11 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.650 -0.270 19438 8891 1 11 . 1 1 121 121 LEU H H 121 8.194 8.194 8.361 -0.167 19438 8892 1 11 . 1 1 122 122 ALA N N 122 119.940 119.940 119.801 0.139 19438 8893 1 11 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.067 0.159 19438 8894 1 11 . 1 1 122 122 ALA C C 122 179.040 179.040 178.914 0.126 19438 8895 1 11 . 1 1 122 122 ALA CA C 122 54.160 54.160 54.513 -0.353 19438 8896 1 11 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.593 0.287 19438 8897 1 11 . 1 1 122 122 ALA H H 122 7.974 7.974 7.768 0.206 19438 8898 1 11 . 1 1 123 123 LYS N N 123 117.940 117.940 118.148 -0.208 19438 8899 1 11 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.217 -0.026 19438 8900 1 11 . 1 1 123 123 LYS C C 123 177.770 177.770 177.591 0.179 19438 8901 1 11 . 1 1 123 123 LYS CA C 123 57.710 57.710 56.582 1.128 19438 8902 1 11 . 1 1 123 123 LYS CB C 123 32.570 32.570 33.019 -0.449 19438 8903 1 11 . 1 1 123 123 LYS H H 123 7.774 7.774 7.893 -0.119 19438 8904 1 11 . 1 1 124 124 GLY N N 124 107.510 107.510 109.633 -2.123 19438 8905 1 11 . 1 1 124 124 GLY C C 124 174.290 174.290 173.528 0.762 19438 8906 1 11 . 1 1 124 124 GLY CA C 124 46.060 46.060 44.835 1.225 19438 8907 1 11 . 1 1 124 124 GLY H H 124 8.084 8.084 7.680 0.404 19438 8908 1 11 . 1 1 125 125 GLU N N 125 120.170 120.170 122.105 -1.935 19438 8909 1 11 . 1 1 125 125 GLU HA H 125 4.318 4.318 4.497 -0.179 19438 8910 1 11 . 1 1 125 125 GLU C C 125 176.940 176.940 175.354 1.586 19438 8911 1 11 . 1 1 125 125 GLU CA C 125 56.780 56.780 55.426 1.354 19438 8912 1 11 . 1 1 125 125 GLU CB C 125 30.760 30.760 30.372 0.388 19438 8913 1 11 . 1 1 125 125 GLU H H 125 7.997 7.997 7.900 0.097 19438 8914 1 11 . 1 1 126 126 LEU N N 126 122.210 122.210 119.995 2.215 19438 8915 1 11 . 1 1 126 126 LEU HA H 126 4.310 4.310 3.942 0.368 19438 8916 1 11 . 1 1 126 126 LEU C C 126 177.320 177.320 176.729 0.591 19438 8917 1 11 . 1 1 126 126 LEU CA C 126 55.940 55.940 55.554 0.385 19438 8918 1 11 . 1 1 126 126 LEU CB C 126 42.540 42.540 41.563 0.977 19438 8919 1 11 . 1 1 126 126 LEU H H 126 8.218 8.218 8.475 -0.257 19438 8920 1 11 . 1 1 127 127 ASN N N 127 119.250 119.250 120.042 -0.792 19438 8921 1 11 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.554 0.140 19438 8922 1 11 . 1 1 127 127 ASN C C 127 175.720 175.720 174.830 0.890 19438 8923 1 11 . 1 1 127 127 ASN CA C 127 53.930 53.930 53.710 0.220 19438 8924 1 11 . 1 1 127 127 ASN CB C 127 38.970 38.970 39.001 -0.031 19438 8925 1 11 . 1 1 127 127 ASN H H 127 8.445 8.445 8.626 -0.181 19438 8926 1 11 . 1 1 128 128 SER N N 128 116.060 116.060 118.052 -1.992 19438 8927 1 11 . 1 1 128 128 SER HA H 128 4.373 4.373 4.632 -0.259 19438 8928 1 11 . 1 1 128 128 SER C C 128 174.830 174.830 173.397 1.433 19438 8929 1 11 . 1 1 128 128 SER CA C 128 59.120 59.120 56.819 2.301 19438 8930 1 11 . 1 1 128 128 SER CB C 128 63.830 63.830 66.265 -2.435 19438 8931 1 11 . 1 1 128 128 SER H H 128 8.182 8.182 7.883 0.299 19438 8932 1 11 . 1 1 129 129 LYS N N 129 122.520 122.520 124.333 -1.813 19438 8933 1 11 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.593 -0.235 19438 8934 1 11 . 1 1 129 129 LYS C C 129 176.750 176.750 175.127 1.623 19438 8935 1 11 . 1 1 129 129 LYS CA C 129 56.710 56.710 56.851 -0.141 19438 8936 1 11 . 1 1 129 129 LYS CB C 129 32.760 32.760 31.187 1.573 19438 8937 1 11 . 1 1 129 129 LYS H H 129 8.154 8.154 8.749 -0.595 19438 8938 1 11 . 1 1 130 130 LEU N N 130 122.340 122.340 123.760 -1.420 19438 8939 1 11 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.438 -0.110 19438 8940 1 11 . 1 1 130 130 LEU C C 130 177.430 177.430 175.103 2.327 19438 8941 1 11 . 1 1 130 130 LEU CA C 130 57.430 57.430 54.582 2.848 19438 8942 1 11 . 1 1 130 130 LEU CB C 130 42.380 42.380 43.828 -1.448 19438 8943 1 11 . 1 1 130 130 LEU H H 130 8.070 8.070 8.359 -0.289 19438 8944 1 11 . 1 1 131 131 GLU N N 131 121.450 121.450 119.697 1.753 19438 8945 1 11 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.281 0.014 19438 8946 1 11 . 1 1 131 131 GLU C C 131 176.920 176.920 177.359 -0.439 19438 8947 1 11 . 1 1 131 131 GLU CA C 131 56.690 56.690 56.396 0.294 19438 8948 1 11 . 1 1 131 131 GLU CB C 131 30.380 30.380 30.258 0.122 19438 8949 1 11 . 1 1 131 131 GLU H H 131 8.250 8.250 8.262 -0.012 19438 8950 1 11 . 1 1 132 132 GLY N N 132 109.900 109.900 107.764 2.136 19438 8951 1 11 . 1 1 132 132 GLY C C 132 173.770 173.770 172.954 0.816 19438 8952 1 11 . 1 1 132 132 GLY CA C 132 45.290 45.290 44.555 0.735 19438 8953 1 11 . 1 1 132 132 GLY H H 132 8.334 8.334 8.194 0.140 19438 8954 1 11 . 1 1 133 133 LYS N N 133 121.920 121.920 122.086 -0.166 19438 8955 1 11 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.901 -0.237 19438 8956 1 11 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.061 1.089 19438 8957 1 11 . 1 1 133 133 LYS CB C 133 32.710 32.710 33.031 -0.321 19438 8958 1 11 . 1 1 133 133 LYS H H 133 8.037 8.037 8.091 -0.054 19438 8959 1 11 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.403 0.048 19438 8960 1 11 . 1 1 134 134 PRO C C 134 176.670 176.670 175.805 0.865 19438 8961 1 11 . 1 1 134 134 PRO CA C 134 62.940 62.940 62.284 0.656 19438 8962 1 11 . 1 1 134 134 PRO CB C 134 31.890 31.890 32.998 -1.108 19438 8963 1 11 . 1 1 135 135 ILE N N 135 122.710 122.710 120.363 2.347 19438 8964 1 11 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.521 -0.093 19438 8965 1 11 . 1 1 135 135 ILE CA C 135 58.770 58.770 57.233 1.537 19438 8966 1 11 . 1 1 135 135 ILE CB C 135 38.640 38.640 37.850 0.790 19438 8967 1 11 . 1 1 135 135 ILE H H 135 8.227 8.227 8.550 -0.323 19438 8968 1 11 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.709 -0.337 19438 8969 1 11 . 1 1 136 136 PRO C C 136 176.330 176.330 175.535 0.795 19438 8970 1 11 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.273 0.977 19438 8971 1 11 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.352 -0.343 19438 8972 1 11 . 1 1 137 137 ASN HA H 137 4.941 4.941 5.056 -0.115 19438 8973 1 11 . 1 1 137 137 ASN CA C 137 51.270 51.270 51.565 -0.295 19438 8974 1 11 . 1 1 137 137 ASN CB C 137 38.670 38.670 39.566 -0.896 19438 8975 1 11 . 1 1 137 137 ASN H H 137 8.383 8.383 8.334 0.049 19438 8976 1 11 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.268 0.136 19438 8977 1 11 . 1 1 138 138 PRO C C 138 177.210 177.210 176.047 1.163 19438 8978 1 11 . 1 1 138 138 PRO CA C 138 63.310 63.310 63.813 -0.503 19438 8979 1 11 . 1 1 138 138 PRO CB C 138 32.100 32.100 32.094 0.006 19438 8980 1 11 . 1 1 139 139 LEU N N 139 119.860 119.860 117.475 2.385 19438 8981 1 11 . 1 1 139 139 LEU HA H 139 4.301 4.301 3.921 0.380 19438 8982 1 11 . 1 1 139 139 LEU C C 139 177.640 177.640 175.648 1.992 19438 8983 1 11 . 1 1 139 139 LEU CA C 139 55.610 55.610 55.209 0.402 19438 8984 1 11 . 1 1 139 139 LEU CB C 139 41.540 41.540 40.904 0.636 19438 8985 1 11 . 1 1 139 139 LEU H H 139 8.096 8.096 7.828 0.268 19438 8986 1 11 . 1 1 140 140 LEU N N 140 121.040 121.040 124.547 -3.507 19438 8987 1 11 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.600 -0.285 19438 8988 1 11 . 1 1 140 140 LEU C C 140 177.840 177.840 176.258 1.582 19438 8989 1 11 . 1 1 140 140 LEU CA C 140 55.370 55.370 54.467 0.903 19438 8990 1 11 . 1 1 140 140 LEU CB C 140 42.390 42.390 41.938 0.452 19438 8991 1 11 . 1 1 140 140 LEU H H 140 7.749 7.749 8.695 -0.946 19438 8992 1 11 . 1 1 141 141 GLY N N 141 108.960 108.960 111.440 -2.480 19438 8993 1 11 . 1 1 141 141 GLY C C 141 174.380 174.380 174.448 -0.068 19438 8994 1 11 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.605 0.045 19438 8995 1 11 . 1 1 141 141 GLY H H 141 8.231 8.231 8.760 -0.529 19438 8996 1 11 . 1 1 142 142 LEU N N 142 121.470 121.470 123.093 -1.623 19438 8997 1 11 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.638 -0.302 19438 8998 1 11 . 1 1 142 142 LEU C C 142 177.390 177.390 176.132 1.258 19438 8999 1 11 . 1 1 142 142 LEU CA C 142 55.630 55.630 54.373 1.257 19438 9000 1 11 . 1 1 142 142 LEU CB C 142 42.600 42.600 40.975 1.625 19438 9001 1 11 . 1 1 142 142 LEU H H 142 8.004 8.004 7.902 0.102 19438 9002 1 11 . 1 1 143 143 ASP N N 143 120.770 120.770 120.707 0.063 19438 9003 1 11 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.696 -0.023 19438 9004 1 11 . 1 1 143 143 ASP C C 143 176.870 176.870 175.730 1.140 19438 9005 1 11 . 1 1 143 143 ASP CA C 143 54.400 54.400 53.364 1.036 19438 9006 1 11 . 1 1 143 143 ASP CB C 143 41.170 41.170 41.425 -0.255 19438 9007 1 11 . 1 1 143 143 ASP H H 143 8.380 8.380 8.038 0.342 19438 9008 1 11 . 1 1 144 144 SER N N 144 116.820 116.820 117.065 -0.245 19438 9009 1 11 . 1 1 144 144 SER HA H 144 4.413 4.413 4.554 -0.141 19438 9010 1 11 . 1 1 144 144 SER C C 144 175.300 175.300 174.952 0.348 19438 9011 1 11 . 1 1 144 144 SER CA C 144 59.190 59.190 59.888 -0.698 19438 9012 1 11 . 1 1 144 144 SER CB C 144 63.770 63.770 63.086 0.684 19438 9013 1 11 . 1 1 144 144 SER H H 144 8.298 8.298 8.188 0.110 19438 9014 1 11 . 1 1 145 145 THR N N 145 114.870 114.870 119.124 -4.254 19438 9015 1 11 . 1 1 145 145 THR HA H 145 4.419 4.419 4.624 -0.205 19438 9016 1 11 . 1 1 145 145 THR C C 145 175.070 175.070 173.162 1.908 19438 9017 1 11 . 1 1 145 145 THR CA C 145 62.880 62.880 61.055 1.825 19438 9018 1 11 . 1 1 145 145 THR CB C 145 69.710 69.710 71.147 -1.437 19438 9019 1 11 . 1 1 145 145 THR H H 145 8.208 8.208 8.215 -0.007 19438 9020 1 11 . 1 1 146 146 ARG N N 146 122.450 122.450 121.957 0.493 19438 9021 1 11 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.720 -0.338 19438 9022 1 11 . 1 1 146 146 ARG C C 146 176.570 176.570 175.480 1.090 19438 9023 1 11 . 1 1 146 146 ARG CA C 146 56.350 56.350 55.352 0.998 19438 9024 1 11 . 1 1 146 146 ARG CB C 146 30.620 30.620 33.813 -3.193 19438 9025 1 11 . 1 1 146 146 ARG H H 146 8.122 8.122 8.542 -0.420 19438 9026 1 11 . 1 1 147 147 THR N N 147 113.830 113.830 119.302 -5.472 19438 9027 1 11 . 1 1 147 147 THR HA H 147 4.400 4.400 4.598 -0.198 19438 9028 1 11 . 1 1 147 147 THR C C 147 175.200 175.200 173.258 1.942 19438 9029 1 11 . 1 1 147 147 THR CA C 147 62.110 62.110 62.178 -0.068 19438 9030 1 11 . 1 1 147 147 THR CB C 147 69.950 69.950 69.786 0.164 19438 9031 1 11 . 1 1 147 147 THR H H 147 8.039 8.039 8.500 -0.461 19438 9032 1 12 . 1 1 2 2 LYS N N 2 124.740 124.740 122.805 1.935 19438 9033 1 12 . 1 1 2 2 LYS HA H 2 4.810 4.810 5.004 -0.194 19438 9034 1 12 . 1 1 2 2 LYS C C 2 173.640 173.640 175.576 -1.936 19438 9035 1 12 . 1 1 2 2 LYS CA C 2 53.960 53.960 54.451 -0.491 19438 9036 1 12 . 1 1 2 2 LYS CB C 2 34.850 34.850 34.284 0.566 19438 9037 1 12 . 1 1 2 2 LYS H H 2 8.620 8.620 8.777 -0.157 19438 9038 1 12 . 1 1 3 3 TYR N N 3 114.840 114.840 121.751 -6.911 19438 9039 1 12 . 1 1 3 3 TYR HA H 3 5.252 5.252 4.935 0.317 19438 9040 1 12 . 1 1 3 3 TYR C C 3 174.920 174.920 174.574 0.346 19438 9041 1 12 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.295 0.065 19438 9042 1 12 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.790 1.380 19438 9043 1 12 . 1 1 3 3 TYR H H 3 8.927 8.927 9.555 -0.628 19438 9044 1 12 . 1 1 4 4 ASP N N 4 119.790 119.790 122.142 -2.352 19438 9045 1 12 . 1 1 4 4 ASP HA H 4 5.479 5.479 5.136 0.343 19438 9046 1 12 . 1 1 4 4 ASP C C 4 175.780 175.780 175.140 0.640 19438 9047 1 12 . 1 1 4 4 ASP CA C 4 52.900 52.900 52.587 0.314 19438 9048 1 12 . 1 1 4 4 ASP CB C 4 43.970 43.970 43.303 0.667 19438 9049 1 12 . 1 1 4 4 ASP H H 4 9.170 9.170 9.232 -0.062 19438 9050 1 12 . 1 1 5 5 VAL N N 5 122.030 122.030 127.428 -5.398 19438 9051 1 12 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.710 0.012 19438 9052 1 12 . 1 1 5 5 VAL C C 5 174.520 174.520 173.930 0.590 19438 9053 1 12 . 1 1 5 5 VAL CA C 5 62.100 62.100 61.082 1.018 19438 9054 1 12 . 1 1 5 5 VAL CB C 5 31.720 31.720 32.836 -1.116 19438 9055 1 12 . 1 1 5 5 VAL H H 5 8.733 8.733 8.914 -0.181 19438 9056 1 12 . 1 1 6 6 VAL N N 6 128.380 128.380 130.907 -2.527 19438 9057 1 12 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.787 -0.141 19438 9058 1 12 . 1 1 6 6 VAL C C 6 174.330 174.330 174.385 -0.055 19438 9059 1 12 . 1 1 6 6 VAL CA C 6 61.750 61.750 61.062 0.688 19438 9060 1 12 . 1 1 6 6 VAL CB C 6 34.060 34.060 33.010 1.050 19438 9061 1 12 . 1 1 6 6 VAL H H 6 9.338 9.338 8.966 0.372 19438 9062 1 12 . 1 1 7 7 ILE N N 7 127.540 127.540 129.290 -1.750 19438 9063 1 12 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.175 -0.015 19438 9064 1 12 . 1 1 7 7 ILE C C 7 175.260 175.260 173.464 1.796 19438 9065 1 12 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.696 1.514 19438 9066 1 12 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.935 -0.835 19438 9067 1 12 . 1 1 7 7 ILE H H 7 9.295 9.295 9.233 0.062 19438 9068 1 12 . 1 1 8 8 ILE N N 8 126.500 126.500 129.567 -3.067 19438 9069 1 12 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.825 -0.063 19438 9070 1 12 . 1 1 8 8 ILE CA C 8 58.790 58.790 56.914 1.876 19438 9071 1 12 . 1 1 8 8 ILE CB C 8 41.100 41.100 41.633 -0.533 19438 9072 1 12 . 1 1 8 8 ILE H H 8 9.573 9.573 9.098 0.475 19438 9073 1 12 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.446 -0.121 19438 9074 1 12 . 1 1 9 9 PRO C C 9 174.390 174.390 175.980 -1.590 19438 9075 1 12 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.842 -0.772 19438 9076 1 12 . 1 1 9 9 PRO CB C 9 31.600 31.600 33.173 -1.573 19438 9077 1 12 . 1 1 10 10 GLU N N 10 120.480 120.480 119.275 1.205 19438 9078 1 12 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.848 -0.075 19438 9079 1 12 . 1 1 10 10 GLU C C 10 174.950 174.950 175.127 -0.177 19438 9080 1 12 . 1 1 10 10 GLU CA C 10 55.600 55.600 54.896 0.704 19438 9081 1 12 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.134 0.846 19438 9082 1 12 . 1 1 10 10 GLU H H 10 9.218 9.218 8.997 0.221 19438 9083 1 12 . 1 1 11 11 SER N N 11 117.470 117.470 115.937 1.533 19438 9084 1 12 . 1 1 11 11 SER HA H 11 4.686 4.686 5.007 -0.321 19438 9085 1 12 . 1 1 11 11 SER C C 11 174.460 174.460 174.770 -0.310 19438 9086 1 12 . 1 1 11 11 SER CA C 11 57.490 57.490 56.928 0.562 19438 9087 1 12 . 1 1 11 11 SER CB C 11 64.820 64.820 64.152 0.668 19438 9088 1 12 . 1 1 11 11 SER H H 11 8.595 8.595 8.337 0.258 19438 9089 1 12 . 1 1 12 12 PHE N N 12 122.760 122.760 125.544 -2.784 19438 9090 1 12 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.349 0.322 19438 9091 1 12 . 1 1 12 12 PHE C C 12 175.440 175.440 174.271 1.169 19438 9092 1 12 . 1 1 12 12 PHE CA C 12 58.580 58.580 57.957 0.623 19438 9093 1 12 . 1 1 12 12 PHE CB C 12 39.940 39.940 37.344 2.596 19438 9094 1 12 . 1 1 12 12 PHE H H 12 8.298 8.298 8.105 0.193 19438 9095 1 12 . 1 1 13 13 HIS N N 13 120.600 120.600 124.621 -4.021 19438 9096 1 12 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.773 -0.158 19438 9097 1 12 . 1 1 13 13 HIS C C 13 174.530 174.530 173.108 1.422 19438 9098 1 12 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.287 0.323 19438 9099 1 12 . 1 1 13 13 HIS CB C 13 31.000 31.000 33.614 -2.614 19438 9100 1 12 . 1 1 13 13 HIS H H 13 8.243 8.243 7.798 0.445 19438 9101 1 12 . 1 1 14 14 ARG N N 14 122.290 122.290 119.648 2.642 19438 9102 1 12 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.569 -0.350 19438 9103 1 12 . 1 1 14 14 ARG C C 14 176.070 176.070 175.502 0.568 19438 9104 1 12 . 1 1 14 14 ARG CA C 14 56.580 56.580 54.403 2.177 19438 9105 1 12 . 1 1 14 14 ARG CB C 14 30.790 30.790 32.218 -1.428 19438 9106 1 12 . 1 1 14 14 ARG H H 14 8.320 8.320 8.581 -0.261 19438 9107 1 12 . 1 1 15 15 PHE N N 15 120.220 120.220 123.228 -3.008 19438 9108 1 12 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.670 0.026 19438 9109 1 12 . 1 1 15 15 PHE C C 15 175.550 175.550 176.275 -0.725 19438 9110 1 12 . 1 1 15 15 PHE CA C 15 57.630 57.630 58.545 -0.916 19438 9111 1 12 . 1 1 15 15 PHE CB C 15 39.920 39.920 38.240 1.679 19438 9112 1 12 . 1 1 15 15 PHE H H 15 8.409 8.409 8.937 -0.528 19438 9113 1 12 . 1 1 16 16 ASP N N 16 121.370 121.370 126.677 -5.307 19438 9114 1 12 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.561 -0.010 19438 9115 1 12 . 1 1 16 16 ASP C C 16 176.590 176.590 176.743 -0.153 19438 9116 1 12 . 1 1 16 16 ASP CA C 16 54.180 54.180 56.332 -2.152 19438 9117 1 12 . 1 1 16 16 ASP CB C 16 41.410 41.410 41.461 -0.051 19438 9118 1 12 . 1 1 16 16 ASP H H 16 8.397 8.397 8.495 -0.098 19438 9119 1 12 . 1 1 17 17 LYS N N 17 119.880 119.880 118.155 1.725 19438 9120 1 12 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.348 -0.181 19438 9121 1 12 . 1 1 17 17 LYS C C 17 176.550 176.550 177.162 -0.612 19438 9122 1 12 . 1 1 17 17 LYS CA C 17 57.110 57.110 57.703 -0.593 19438 9123 1 12 . 1 1 17 17 LYS CB C 17 32.420 32.420 33.444 -1.024 19438 9124 1 12 . 1 1 17 17 LYS H H 17 8.188 8.188 8.613 -0.425 19438 9125 1 12 . 1 1 18 18 HIS N N 18 118.390 118.390 116.704 1.686 19438 9126 1 12 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.737 -0.087 19438 9127 1 12 . 1 1 18 18 HIS C C 18 175.020 175.020 174.577 0.443 19438 9128 1 12 . 1 1 18 18 HIS CA C 18 56.260 56.260 55.940 0.320 19438 9129 1 12 . 1 1 18 18 HIS CB C 18 30.010 30.010 31.591 -1.581 19438 9130 1 12 . 1 1 18 18 HIS H H 18 8.339 8.339 8.564 -0.225 19438 9131 1 12 . 1 1 19 19 ASN N N 19 118.700 118.700 117.411 1.289 19438 9132 1 12 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.560 0.112 19438 9133 1 12 . 1 1 19 19 ASN C C 19 175.170 175.170 174.340 0.830 19438 9134 1 12 . 1 1 19 19 ASN CA C 19 53.800 53.800 53.906 -0.106 19438 9135 1 12 . 1 1 19 19 ASN CB C 19 38.730 38.730 39.365 -0.635 19438 9136 1 12 . 1 1 19 19 ASN H H 19 8.287 8.287 8.135 0.152 19438 9137 1 12 . 1 1 20 20 MET N N 20 120.140 120.140 113.436 6.704 19438 9138 1 12 . 1 1 20 20 MET HA H 20 4.475 4.475 3.784 0.691 19438 9139 1 12 . 1 1 20 20 MET C C 20 176.470 176.470 173.595 2.875 19438 9140 1 12 . 1 1 20 20 MET CA C 20 55.640 55.640 56.036 -0.396 19438 9141 1 12 . 1 1 20 20 MET CB C 20 33.500 33.500 30.201 3.299 19438 9142 1 12 . 1 1 20 20 MET H H 20 8.495 8.495 8.519 -0.024 19438 9143 1 12 . 1 1 21 21 GLU N N 21 120.920 120.920 117.549 3.371 19438 9144 1 12 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.089 0.112 19438 9145 1 12 . 1 1 21 21 GLU C C 21 176.380 176.380 173.812 2.568 19438 9146 1 12 . 1 1 21 21 GLU CA C 21 57.330 57.330 55.081 2.249 19438 9147 1 12 . 1 1 21 21 GLU CB C 21 30.080 30.080 31.641 -1.561 19438 9148 1 12 . 1 1 21 21 GLU H H 21 8.450 8.450 7.696 0.754 19438 9149 1 12 . 1 1 22 22 HIS N N 22 119.650 119.650 124.510 -4.860 19438 9150 1 12 . 1 1 22 22 HIS HA H 22 4.687 4.687 5.422 -0.735 19438 9151 1 12 . 1 1 22 22 HIS C C 22 174.470 174.470 173.017 1.453 19438 9152 1 12 . 1 1 22 22 HIS CA C 22 55.980 55.980 56.048 -0.068 19438 9153 1 12 . 1 1 22 22 HIS CB C 22 30.530 30.530 32.188 -1.658 19438 9154 1 12 . 1 1 22 22 HIS H H 22 8.334 8.334 8.623 -0.289 19438 9155 1 12 . 1 1 23 23 ILE N N 23 121.910 121.910 124.720 -2.810 19438 9156 1 12 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.378 -0.227 19438 9157 1 12 . 1 1 23 23 ILE C C 23 175.870 175.870 174.594 1.276 19438 9158 1 12 . 1 1 23 23 ILE CA C 23 61.170 61.170 58.621 2.549 19438 9159 1 12 . 1 1 23 23 ILE CB C 23 38.850 38.850 40.645 -1.795 19438 9160 1 12 . 1 1 23 23 ILE H H 23 7.782 7.782 7.703 0.079 19438 9161 1 12 . 1 1 24 24 CYS N N 24 124.920 124.920 126.185 -1.265 19438 9162 1 12 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.773 0.021 19438 9163 1 12 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.306 -3.176 19438 9164 1 12 . 1 1 24 24 CYS CB C 24 42.470 42.470 28.819 13.651 19438 9165 1 12 . 1 1 24 24 CYS H H 24 8.697 8.697 8.347 0.350 19438 9166 1 12 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.484 0.246 19438 9167 1 12 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.572 0.182 19438 9168 1 12 . 1 1 26 26 PRO C C 26 175.820 175.820 175.737 0.083 19438 9169 1 12 . 1 1 26 26 PRO CA C 26 62.580 62.580 62.589 -0.009 19438 9170 1 12 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.674 -0.084 19438 9171 1 12 . 1 1 27 27 MET N N 27 120.580 120.580 125.205 -4.625 19438 9172 1 12 . 1 1 27 27 MET HA H 27 5.180 5.180 5.100 0.080 19438 9173 1 12 . 1 1 27 27 MET C C 27 174.810 174.810 174.384 0.426 19438 9174 1 12 . 1 1 27 27 MET CA C 27 53.270 53.270 54.890 -1.620 19438 9175 1 12 . 1 1 27 27 MET CB C 27 34.580 34.580 35.328 -0.748 19438 9176 1 12 . 1 1 27 27 MET H H 27 9.055 9.055 8.991 0.064 19438 9177 1 12 . 1 1 28 28 VAL N N 28 122.030 122.030 127.211 -5.181 19438 9178 1 12 . 1 1 28 28 VAL HA H 28 5.093 5.093 4.865 0.228 19438 9179 1 12 . 1 1 28 28 VAL C C 28 175.710 175.710 174.469 1.241 19438 9180 1 12 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.297 -0.647 19438 9181 1 12 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.157 1.313 19438 9182 1 12 . 1 1 28 28 VAL H H 28 8.575 8.575 8.687 -0.112 19438 9183 1 12 . 1 1 29 29 ILE N N 29 129.440 129.440 127.425 2.015 19438 9184 1 12 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.519 -0.153 19438 9185 1 12 . 1 1 29 29 ILE C C 29 176.490 176.490 174.494 1.996 19438 9186 1 12 . 1 1 29 29 ILE CA C 29 61.260 61.260 59.208 2.052 19438 9187 1 12 . 1 1 29 29 ILE CB C 29 37.960 37.960 39.701 -1.741 19438 9188 1 12 . 1 1 29 29 ILE H H 29 9.200 9.200 8.877 0.323 19438 9189 1 12 . 1 1 30 30 GLY N N 30 112.580 112.580 115.208 -2.628 19438 9190 1 12 . 1 1 30 30 GLY C C 30 175.350 175.350 173.353 1.997 19438 9191 1 12 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.968 1.142 19438 9192 1 12 . 1 1 30 30 GLY H H 30 8.525 8.525 8.761 -0.236 19438 9193 1 12 . 1 1 31 31 ASP N N 31 121.320 121.320 122.525 -1.205 19438 9194 1 12 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.726 -0.623 19438 9195 1 12 . 1 1 31 31 ASP C C 31 175.530 175.530 175.097 0.433 19438 9196 1 12 . 1 1 31 31 ASP CA C 31 55.530 55.530 53.882 1.648 19438 9197 1 12 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.795 -2.175 19438 9198 1 12 . 1 1 31 31 ASP H H 31 9.133 9.133 8.079 1.054 19438 9199 1 12 . 1 1 32 32 ARG N N 32 117.600 117.600 119.971 -2.371 19438 9200 1 12 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.984 0.047 19438 9201 1 12 . 1 1 32 32 ARG C C 32 177.060 177.060 175.585 1.475 19438 9202 1 12 . 1 1 32 32 ARG CA C 32 52.790 52.790 53.620 -0.830 19438 9203 1 12 . 1 1 32 32 ARG CB C 32 34.650 34.650 32.120 2.530 19438 9204 1 12 . 1 1 32 32 ARG H H 32 9.529 9.529 7.676 1.853 19438 9205 1 12 . 1 1 33 33 SER N N 33 116.150 116.150 119.322 -3.172 19438 9206 1 12 . 1 1 33 33 SER HA H 33 4.819 4.819 5.368 -0.549 19438 9207 1 12 . 1 1 33 33 SER C C 33 174.290 174.290 175.720 -1.430 19438 9208 1 12 . 1 1 33 33 SER CA C 33 58.130 58.130 57.590 0.540 19438 9209 1 12 . 1 1 33 33 SER CB C 33 64.530 64.530 64.575 -0.045 19438 9210 1 12 . 1 1 33 33 SER H H 33 8.400 8.400 8.833 -0.433 19438 9211 1 12 . 1 1 34 34 TYR N N 34 122.110 122.110 123.274 -1.164 19438 9212 1 12 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.508 -0.123 19438 9213 1 12 . 1 1 34 34 TYR C C 34 176.280 176.280 176.743 -0.463 19438 9214 1 12 . 1 1 34 34 TYR CA C 34 63.060 63.060 63.361 -0.300 19438 9215 1 12 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.224 0.126 19438 9216 1 12 . 1 1 34 34 TYR H H 34 9.456 9.456 8.888 0.568 19438 9217 1 12 . 1 1 35 35 ASP N N 35 114.640 114.640 117.314 -2.674 19438 9218 1 12 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.264 -0.198 19438 9219 1 12 . 1 1 35 35 ASP C C 35 179.460 179.460 177.723 1.737 19438 9220 1 12 . 1 1 35 35 ASP CA C 35 57.380 57.380 57.703 -0.323 19438 9221 1 12 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.605 -0.765 19438 9222 1 12 . 1 1 35 35 ASP H H 35 8.611 8.611 8.630 -0.019 19438 9223 1 12 . 1 1 36 36 ILE N N 36 120.860 120.860 119.693 1.167 19438 9224 1 12 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.827 0.021 19438 9225 1 12 . 1 1 36 36 ILE C C 36 178.000 178.000 177.831 0.169 19438 9226 1 12 . 1 1 36 36 ILE CA C 36 62.660 62.660 62.888 -0.228 19438 9227 1 12 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.134 -0.434 19438 9228 1 12 . 1 1 36 36 ILE H H 36 7.298 7.298 7.422 -0.124 19438 9229 1 12 . 1 1 37 37 ALA N N 37 123.260 123.260 123.606 -0.346 19438 9230 1 12 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.853 -0.121 19438 9231 1 12 . 1 1 37 37 ALA C C 37 179.720 179.720 179.173 0.547 19438 9232 1 12 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.067 0.653 19438 9233 1 12 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.242 -0.262 19438 9234 1 12 . 1 1 37 37 ALA H H 37 8.906 8.906 8.729 0.177 19438 9235 1 12 . 1 1 38 38 MET N N 38 114.900 114.900 117.385 -2.485 19438 9236 1 12 . 1 1 38 38 MET HA H 38 4.282 4.282 4.024 0.258 19438 9237 1 12 . 1 1 38 38 MET C C 38 178.940 178.940 178.177 0.763 19438 9238 1 12 . 1 1 38 38 MET CA C 38 55.940 55.940 57.850 -1.910 19438 9239 1 12 . 1 1 38 38 MET CB C 38 29.570 29.570 32.148 -2.578 19438 9240 1 12 . 1 1 38 38 MET H H 38 8.237 8.237 8.373 -0.136 19438 9241 1 12 . 1 1 39 39 GLU N N 39 120.020 120.020 118.633 1.387 19438 9242 1 12 . 1 1 39 39 GLU HA H 39 4.101 4.101 4.155 -0.054 19438 9243 1 12 . 1 1 39 39 GLU C C 39 180.880 180.880 179.503 1.377 19438 9244 1 12 . 1 1 39 39 GLU CA C 39 59.630 59.630 58.221 1.409 19438 9245 1 12 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.396 -0.346 19438 9246 1 12 . 1 1 39 39 GLU H H 39 7.517 7.517 7.730 -0.213 19438 9247 1 12 . 1 1 40 40 ILE N N 40 122.000 122.000 121.497 0.503 19438 9248 1 12 . 1 1 40 40 ILE HA H 40 3.710 3.710 3.965 -0.255 19438 9249 1 12 . 1 1 40 40 ILE C C 40 177.890 177.890 177.248 0.642 19438 9250 1 12 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.335 0.905 19438 9251 1 12 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.524 -1.624 19438 9252 1 12 . 1 1 40 40 ILE H H 40 8.220 8.220 8.263 -0.043 19438 9253 1 12 . 1 1 41 41 VAL N N 41 120.760 120.760 120.666 0.094 19438 9254 1 12 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.508 -0.122 19438 9255 1 12 . 1 1 41 41 VAL C C 41 179.090 179.090 177.358 1.732 19438 9256 1 12 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.174 0.687 19438 9257 1 12 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.477 -0.147 19438 9258 1 12 . 1 1 41 41 VAL H H 41 8.737 8.737 8.642 0.095 19438 9259 1 12 . 1 1 42 42 ASN N N 42 119.950 119.950 117.993 1.957 19438 9260 1 12 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.457 0.150 19438 9261 1 12 . 1 1 42 42 ASN C C 42 178.080 178.080 177.433 0.647 19438 9262 1 12 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.611 -0.731 19438 9263 1 12 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.191 -0.700 19438 9264 1 12 . 1 1 42 42 ASN H H 42 8.542 8.542 8.396 0.146 19438 9265 1 12 . 1 1 43 43 GLY N N 43 112.070 112.070 108.622 3.448 19438 9266 1 12 . 1 1 43 43 GLY C C 43 176.070 176.070 176.271 -0.201 19438 9267 1 12 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.103 0.487 19438 9268 1 12 . 1 1 43 43 GLY H H 43 8.387 8.387 7.539 0.848 19438 9269 1 12 . 1 1 44 44 VAL N N 44 122.900 122.900 122.766 0.134 19438 9270 1 12 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.622 -0.095 19438 9271 1 12 . 1 1 44 44 VAL C C 44 176.700 176.700 177.500 -0.800 19438 9272 1 12 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.004 0.836 19438 9273 1 12 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.077 0.173 19438 9274 1 12 . 1 1 44 44 VAL H H 44 9.078 9.078 8.252 0.826 19438 9275 1 12 . 1 1 45 45 ASP N N 45 119.070 119.070 120.097 -1.027 19438 9276 1 12 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.388 -0.196 19438 9277 1 12 . 1 1 45 45 ASP C C 45 176.540 176.540 178.473 -1.933 19438 9278 1 12 . 1 1 45 45 ASP CA C 45 58.490 58.490 57.544 0.946 19438 9279 1 12 . 1 1 45 45 ASP CB C 45 42.940 42.940 41.162 1.778 19438 9280 1 12 . 1 1 45 45 ASP H H 45 7.745 7.745 8.735 -0.990 19438 9281 1 12 . 1 1 46 46 ARG N N 46 115.750 115.750 119.564 -3.814 19438 9282 1 12 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.193 -0.199 19438 9283 1 12 . 1 1 46 46 ARG C C 46 179.760 179.760 178.776 0.984 19438 9284 1 12 . 1 1 46 46 ARG CA C 46 59.630 59.630 58.110 1.520 19438 9285 1 12 . 1 1 46 46 ARG CB C 46 30.190 30.190 29.881 0.309 19438 9286 1 12 . 1 1 46 46 ARG H H 46 7.557 7.557 7.760 -0.203 19438 9287 1 12 . 1 1 47 47 VAL N N 47 118.740 118.740 120.223 -1.483 19438 9288 1 12 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.806 0.106 19438 9289 1 12 . 1 1 47 47 VAL C C 47 179.150 179.150 178.191 0.959 19438 9290 1 12 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.292 -0.252 19438 9291 1 12 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.290 0.480 19438 9292 1 12 . 1 1 47 47 VAL H H 47 8.187 8.187 8.119 0.068 19438 9293 1 12 . 1 1 48 48 ILE N N 48 122.340 122.340 120.423 1.917 19438 9294 1 12 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.629 0.068 19438 9295 1 12 . 1 1 48 48 ILE C C 48 178.130 178.130 178.101 0.029 19438 9296 1 12 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.828 0.812 19438 9297 1 12 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.233 -0.603 19438 9298 1 12 . 1 1 48 48 ILE H H 48 8.786 8.786 8.474 0.312 19438 9299 1 12 . 1 1 49 49 LYS N N 49 116.860 116.860 118.744 -1.884 19438 9300 1 12 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.165 -0.106 19438 9301 1 12 . 1 1 49 49 LYS C C 49 178.120 178.120 177.721 0.399 19438 9302 1 12 . 1 1 49 49 LYS CA C 49 60.270 60.270 58.764 1.506 19438 9303 1 12 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.510 0.590 19438 9304 1 12 . 1 1 49 49 LYS H H 49 7.785 7.785 8.208 -0.423 19438 9305 1 12 . 1 1 50 50 ALA N N 50 117.520 117.520 121.749 -4.229 19438 9306 1 12 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.766 -0.410 19438 9307 1 12 . 1 1 50 50 ALA C C 50 179.940 179.940 178.693 1.247 19438 9308 1 12 . 1 1 50 50 ALA CA C 50 53.960 53.960 53.588 0.372 19438 9309 1 12 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.384 -0.024 19438 9310 1 12 . 1 1 50 50 ALA H H 50 7.740 7.740 7.566 0.174 19438 9311 1 12 . 1 1 51 51 SER N N 51 111.860 111.860 114.387 -2.527 19438 9312 1 12 . 1 1 51 51 SER HA H 51 4.287 4.287 4.491 -0.204 19438 9313 1 12 . 1 1 51 51 SER C C 51 172.840 172.840 174.317 -1.477 19438 9314 1 12 . 1 1 51 51 SER CA C 51 60.610 60.610 59.480 1.129 19438 9315 1 12 . 1 1 51 51 SER CB C 51 64.500 64.500 64.315 0.185 19438 9316 1 12 . 1 1 51 51 SER H H 51 7.957 7.957 8.663 -0.706 19438 9317 1 12 . 1 1 52 52 PHE N N 52 116.210 116.210 117.154 -0.944 19438 9318 1 12 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.601 0.176 19438 9319 1 12 . 1 1 52 52 PHE C C 52 174.210 174.210 174.220 -0.010 19438 9320 1 12 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.492 -0.202 19438 9321 1 12 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.571 1.009 19438 9322 1 12 . 1 1 52 52 PHE H H 52 7.901 7.901 7.608 0.293 19438 9323 1 12 . 1 1 53 53 ASN N N 53 117.890 117.890 121.407 -3.517 19438 9324 1 12 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.840 0.062 19438 9325 1 12 . 1 1 53 53 ASN C C 53 175.120 175.120 173.637 1.483 19438 9326 1 12 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.665 1.285 19438 9327 1 12 . 1 1 53 53 ASN CB C 53 37.550 37.550 39.288 -1.738 19438 9328 1 12 . 1 1 53 53 ASN H H 53 8.205 8.205 8.803 -0.598 19438 9329 1 12 . 1 1 54 54 ALA N N 54 125.300 125.300 128.383 -3.083 19438 9330 1 12 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.350 0.091 19438 9331 1 12 . 1 1 54 54 ALA C C 54 176.800 176.800 176.803 -0.003 19438 9332 1 12 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.187 1.373 19438 9333 1 12 . 1 1 54 54 ALA CB C 54 24.080 24.080 22.170 1.910 19438 9334 1 12 . 1 1 54 54 ALA H H 54 8.246 8.246 8.075 0.171 19438 9335 1 12 . 1 1 55 55 SER N N 55 115.850 115.850 119.441 -3.591 19438 9336 1 12 . 1 1 55 55 SER HA H 55 4.789 4.789 4.709 0.080 19438 9337 1 12 . 1 1 55 55 SER C C 55 172.830 172.830 173.606 -0.776 19438 9338 1 12 . 1 1 55 55 SER CA C 55 57.200 57.200 57.062 0.138 19438 9339 1 12 . 1 1 55 55 SER CB C 55 65.460 65.460 63.322 2.138 19438 9340 1 12 . 1 1 55 55 SER H H 55 8.606 8.606 8.888 -0.282 19438 9341 1 12 . 1 1 56 56 VAL N N 56 121.700 121.700 127.478 -5.778 19438 9342 1 12 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.686 0.108 19438 9343 1 12 . 1 1 56 56 VAL C C 56 173.160 173.160 175.034 -1.874 19438 9344 1 12 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.437 -0.427 19438 9345 1 12 . 1 1 56 56 VAL CB C 56 35.570 35.570 33.433 2.137 19438 9346 1 12 . 1 1 56 56 VAL H H 56 8.648 8.648 8.745 -0.097 19438 9347 1 12 . 1 1 57 57 GLU N N 57 126.130 126.130 129.233 -3.103 19438 9348 1 12 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.680 -0.168 19438 9349 1 12 . 1 1 57 57 GLU C C 57 174.090 174.090 174.597 -0.507 19438 9350 1 12 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.102 0.447 19438 9351 1 12 . 1 1 57 57 GLU CB C 57 33.910 33.910 32.979 0.931 19438 9352 1 12 . 1 1 57 57 GLU H H 57 8.122 8.122 9.078 -0.956 19438 9353 1 12 . 1 1 58 58 GLU N N 58 124.740 124.740 124.541 0.199 19438 9354 1 12 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.940 -0.253 19438 9355 1 12 . 1 1 58 58 GLU C C 58 175.410 175.410 175.411 -0.001 19438 9356 1 12 . 1 1 58 58 GLU CA C 58 55.990 55.990 55.155 0.835 19438 9357 1 12 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.936 -0.606 19438 9358 1 12 . 1 1 58 58 GLU H H 58 8.610 8.610 8.606 0.004 19438 9359 1 12 . 1 1 59 59 LEU N N 59 126.780 126.780 123.268 3.512 19438 9360 1 12 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.756 -0.045 19438 9361 1 12 . 1 1 59 59 LEU C C 59 175.970 175.970 175.436 0.534 19438 9362 1 12 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.142 0.638 19438 9363 1 12 . 1 1 59 59 LEU CB C 59 45.320 45.320 46.451 -1.131 19438 9364 1 12 . 1 1 59 59 LEU H H 59 8.259 8.259 8.883 -0.624 19438 9365 1 12 . 1 1 60 60 GLU N N 60 119.810 119.810 118.281 1.529 19438 9366 1 12 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.594 -0.246 19438 9367 1 12 . 1 1 60 60 GLU C C 60 177.560 177.560 175.700 1.860 19438 9368 1 12 . 1 1 60 60 GLU CA C 60 57.340 57.340 54.913 2.426 19438 9369 1 12 . 1 1 60 60 GLU CB C 60 30.260 30.260 31.286 -1.026 19438 9370 1 12 . 1 1 60 60 GLU H H 60 8.258 8.258 8.327 -0.069 19438 9371 1 12 . 1 1 61 61 GLY N N 61 117.720 117.720 106.877 10.843 19438 9372 1 12 . 1 1 61 61 GLY C C 61 174.320 174.320 173.719 0.601 19438 9373 1 12 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.237 0.333 19438 9374 1 12 . 1 1 61 61 GLY H H 61 8.726 8.726 8.404 0.322 19438 9375 1 12 . 1 1 62 62 GLU N N 62 121.700 121.700 119.558 2.142 19438 9376 1 12 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.524 0.007 19438 9377 1 12 . 1 1 62 62 GLU C C 62 177.690 177.690 176.777 0.913 19438 9378 1 12 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.133 -0.583 19438 9379 1 12 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.803 0.497 19438 9380 1 12 . 1 1 62 62 GLU H H 62 9.337 9.337 8.867 0.470 19438 9381 1 12 . 1 1 63 63 ASP N N 63 120.760 120.760 124.430 -3.670 19438 9382 1 12 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.200 0.130 19438 9383 1 12 . 1 1 63 63 ASP C C 63 178.080 178.080 176.540 1.540 19438 9384 1 12 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.143 0.787 19438 9385 1 12 . 1 1 63 63 ASP CB C 63 40.770 40.770 39.341 1.429 19438 9386 1 12 . 1 1 63 63 ASP H H 63 8.632 8.632 9.085 -0.453 19438 9387 1 12 . 1 1 64 64 CYS N N 64 113.520 113.520 120.487 -6.967 19438 9388 1 12 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.561 -0.129 19438 9389 1 12 . 1 1 64 64 CYS C C 64 173.700 173.700 174.913 -1.213 19438 9390 1 12 . 1 1 64 64 CYS CA C 64 57.170 57.170 58.339 -1.169 19438 9391 1 12 . 1 1 64 64 CYS CB C 64 41.210 41.210 27.872 13.338 19438 9392 1 12 . 1 1 64 64 CYS H H 64 7.962 7.962 8.207 -0.245 19438 9393 1 12 . 1 1 65 65 ASP N N 65 120.200 120.200 122.127 -1.927 19438 9394 1 12 . 1 1 65 65 ASP HA H 65 5.190 5.190 4.867 0.323 19438 9395 1 12 . 1 1 65 65 ASP C C 65 176.540 176.540 176.568 -0.028 19438 9396 1 12 . 1 1 65 65 ASP CA C 65 54.310 54.310 54.821 -0.511 19438 9397 1 12 . 1 1 65 65 ASP CB C 65 41.150 41.150 40.483 0.667 19438 9398 1 12 . 1 1 65 65 ASP H H 65 7.936 7.936 8.082 -0.146 19438 9399 1 12 . 1 1 66 66 VAL N N 66 122.070 122.070 124.442 -2.372 19438 9400 1 12 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.161 0.106 19438 9401 1 12 . 1 1 66 66 VAL C C 66 176.000 176.000 176.192 -0.192 19438 9402 1 12 . 1 1 66 66 VAL CA C 66 63.190 63.190 63.549 -0.359 19438 9403 1 12 . 1 1 66 66 VAL CB C 66 32.430 32.430 32.864 -0.434 19438 9404 1 12 . 1 1 66 66 VAL H H 66 9.431 9.431 9.145 0.286 19438 9405 1 12 . 1 1 67 67 LEU N N 67 119.700 119.700 119.370 0.330 19438 9406 1 12 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.724 -0.085 19438 9407 1 12 . 1 1 67 67 LEU C C 67 174.400 174.400 173.852 0.548 19438 9408 1 12 . 1 1 67 67 LEU CA C 67 55.100 55.100 54.910 0.190 19438 9409 1 12 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.438 -0.418 19438 9410 1 12 . 1 1 67 67 LEU H H 67 7.625 7.625 7.443 0.182 19438 9411 1 12 . 1 1 68 68 TYR N N 68 126.330 126.330 125.851 0.479 19438 9412 1 12 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.426 0.424 19438 9413 1 12 . 1 1 68 68 TYR C C 68 173.460 173.460 173.064 0.396 19438 9414 1 12 . 1 1 68 68 TYR CA C 68 54.660 54.660 56.161 -1.501 19438 9415 1 12 . 1 1 68 68 TYR CB C 68 38.140 38.140 42.014 -3.874 19438 9416 1 12 . 1 1 68 68 TYR H H 68 9.086 9.086 8.623 0.463 19438 9417 1 12 . 1 1 69 69 ARG N N 69 127.440 127.440 128.916 -1.476 19438 9418 1 12 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.071 -0.211 19438 9419 1 12 . 1 1 69 69 ARG C C 69 173.030 173.030 173.943 -0.913 19438 9420 1 12 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.047 0.383 19438 9421 1 12 . 1 1 69 69 ARG CB C 69 35.030 35.030 33.310 1.720 19438 9422 1 12 . 1 1 69 69 ARG H H 69 9.569 9.569 9.330 0.239 19438 9423 1 12 . 1 1 70 70 LYS N N 70 122.850 122.850 127.495 -4.645 19438 9424 1 12 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.126 -0.121 19438 9425 1 12 . 1 1 70 70 LYS C C 70 175.830 175.830 174.387 1.443 19438 9426 1 12 . 1 1 70 70 LYS CA C 70 54.690 54.690 54.761 -0.071 19438 9427 1 12 . 1 1 70 70 LYS CB C 70 36.040 36.040 35.956 0.084 19438 9428 1 12 . 1 1 70 70 LYS H H 70 8.612 8.612 9.044 -0.432 19438 9429 1 12 . 1 1 71 71 TYR N N 71 129.420 129.420 124.841 4.579 19438 9430 1 12 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.117 0.185 19438 9431 1 12 . 1 1 71 71 TYR C C 71 175.710 175.710 175.337 0.373 19438 9432 1 12 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.371 0.589 19438 9433 1 12 . 1 1 71 71 TYR CB C 71 40.330 40.330 42.275 -1.945 19438 9434 1 12 . 1 1 71 71 TYR H H 71 9.762 9.762 9.293 0.469 19438 9435 1 12 . 1 1 72 72 THR N N 72 119.820 119.820 121.824 -2.004 19438 9436 1 12 . 1 1 72 72 THR HA H 72 4.707 4.707 4.639 0.068 19438 9437 1 12 . 1 1 72 72 THR C C 72 173.860 173.860 173.528 0.332 19438 9438 1 12 . 1 1 72 72 THR CA C 72 63.250 63.250 62.459 0.791 19438 9439 1 12 . 1 1 72 72 THR CB C 72 69.370 69.370 69.256 0.114 19438 9440 1 12 . 1 1 72 72 THR H H 72 8.845 8.845 9.226 -0.381 19438 9441 1 12 . 1 1 73 73 LEU N N 73 125.420 125.420 128.791 -3.371 19438 9442 1 12 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.407 -0.278 19438 9443 1 12 . 1 1 73 73 LEU C C 73 175.760 175.760 176.089 -0.329 19438 9444 1 12 . 1 1 73 73 LEU CA C 73 54.080 54.080 53.357 0.723 19438 9445 1 12 . 1 1 73 73 LEU CB C 73 45.350 45.350 43.025 2.325 19438 9446 1 12 . 1 1 73 73 LEU H H 73 8.929 8.929 9.437 -0.508 19438 9447 1 12 . 1 1 74 74 GLU N N 74 120.090 120.090 121.591 -1.501 19438 9448 1 12 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.121 0.093 19438 9449 1 12 . 1 1 74 74 GLU C C 74 175.400 175.400 175.735 -0.335 19438 9450 1 12 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.178 0.562 19438 9451 1 12 . 1 1 74 74 GLU CB C 74 33.040 33.040 31.707 1.333 19438 9452 1 12 . 1 1 74 74 GLU H H 74 8.311 8.311 9.090 -0.779 19438 9453 1 12 . 1 1 75 75 LYS N N 75 124.230 124.230 126.821 -2.591 19438 9454 1 12 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.431 0.042 19438 9455 1 12 . 1 1 75 75 LYS C C 75 175.380 175.380 176.366 -0.986 19438 9456 1 12 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.647 2.413 19438 9457 1 12 . 1 1 75 75 LYS CB C 75 35.740 35.740 31.746 3.994 19438 9458 1 12 . 1 1 75 75 LYS H H 75 8.691 8.691 8.821 -0.130 19438 9459 1 12 . 1 1 76 76 GLU N N 76 127.760 127.760 124.391 3.369 19438 9460 1 12 . 1 1 76 76 GLU HA H 76 3.903 3.903 4.016 -0.113 19438 9461 1 12 . 1 1 76 76 GLU C C 76 176.190 176.190 176.164 0.026 19438 9462 1 12 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.226 0.224 19438 9463 1 12 . 1 1 76 76 GLU CB C 76 27.830 27.830 27.651 0.178 19438 9464 1 12 . 1 1 76 76 GLU H H 76 9.556 9.556 8.246 1.310 19438 9465 1 12 . 1 1 77 77 GLY N N 77 106.560 106.560 108.591 -2.031 19438 9466 1 12 . 1 1 77 77 GLY C C 77 174.320 174.320 173.633 0.687 19438 9467 1 12 . 1 1 77 77 GLY CA C 77 45.640 45.640 44.881 0.759 19438 9468 1 12 . 1 1 77 77 GLY H H 77 8.928 8.928 8.809 0.119 19438 9469 1 12 . 1 1 78 78 LYS N N 78 121.600 121.600 122.428 -0.828 19438 9470 1 12 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.456 0.129 19438 9471 1 12 . 1 1 78 78 LYS C C 78 175.240 175.240 174.751 0.489 19438 9472 1 12 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.631 -0.251 19438 9473 1 12 . 1 1 78 78 LYS CB C 78 33.490 33.490 34.347 -0.857 19438 9474 1 12 . 1 1 78 78 LYS H H 78 8.015 8.015 7.773 0.242 19438 9475 1 12 . 1 1 79 79 LYS N N 79 120.990 120.990 119.727 1.263 19438 9476 1 12 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.254 -0.055 19438 9477 1 12 . 1 1 79 79 LYS C C 79 176.150 176.150 174.786 1.364 19438 9478 1 12 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.232 0.838 19438 9479 1 12 . 1 1 79 79 LYS CB C 79 35.080 35.080 36.492 -1.413 19438 9480 1 12 . 1 1 79 79 LYS H H 79 8.438 8.438 8.360 0.078 19438 9481 1 12 . 1 1 80 80 GLY N N 80 107.840 107.840 107.744 0.096 19438 9482 1 12 . 1 1 80 80 GLY C C 80 170.430 170.430 171.917 -1.487 19438 9483 1 12 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.753 -0.493 19438 9484 1 12 . 1 1 80 80 GLY H H 80 8.391 8.391 8.559 -0.168 19438 9485 1 12 . 1 1 81 81 ILE N N 81 120.670 120.670 120.986 -0.316 19438 9486 1 12 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.178 0.104 19438 9487 1 12 . 1 1 81 81 ILE C C 81 175.210 175.210 175.073 0.137 19438 9488 1 12 . 1 1 81 81 ILE CA C 81 58.640 58.640 60.252 -1.611 19438 9489 1 12 . 1 1 81 81 ILE CB C 81 42.420 42.420 40.611 1.809 19438 9490 1 12 . 1 1 81 81 ILE H H 81 8.623 8.623 9.743 -1.120 19438 9491 1 12 . 1 1 82 82 VAL N N 82 121.970 121.970 125.143 -3.173 19438 9492 1 12 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.779 -0.065 19438 9493 1 12 . 1 1 82 82 VAL C C 82 174.230 174.230 174.957 -0.727 19438 9494 1 12 . 1 1 82 82 VAL CA C 82 61.010 61.010 60.642 0.368 19438 9495 1 12 . 1 1 82 82 VAL CB C 82 35.260 35.260 32.882 2.378 19438 9496 1 12 . 1 1 82 82 VAL H H 82 8.967 8.967 9.119 -0.152 19438 9497 1 12 . 1 1 83 83 HIS N N 83 129.690 129.690 127.653 2.037 19438 9498 1 12 . 1 1 83 83 HIS HA H 83 5.219 5.219 4.937 0.282 19438 9499 1 12 . 1 1 83 83 HIS C C 83 174.960 174.960 173.972 0.988 19438 9500 1 12 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.907 0.533 19438 9501 1 12 . 1 1 83 83 HIS CB C 83 32.240 32.240 30.883 1.357 19438 9502 1 12 . 1 1 83 83 HIS H H 83 8.960 8.960 9.460 -0.500 19438 9503 1 12 . 1 1 84 84 VAL N N 84 125.620 125.620 126.576 -0.956 19438 9504 1 12 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.656 0.470 19438 9505 1 12 . 1 1 84 84 VAL C C 84 174.590 174.590 174.236 0.354 19438 9506 1 12 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.335 0.895 19438 9507 1 12 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.936 1.084 19438 9508 1 12 . 1 1 84 84 VAL H H 84 9.834 9.834 9.175 0.659 19438 9509 1 12 . 1 1 85 85 LYS N N 85 125.370 125.370 126.294 -0.924 19438 9510 1 12 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.247 0.217 19438 9511 1 12 . 1 1 85 85 LYS C C 85 174.890 174.890 175.013 -0.123 19438 9512 1 12 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.561 0.649 19438 9513 1 12 . 1 1 85 85 LYS CB C 85 36.430 36.430 36.070 0.360 19438 9514 1 12 . 1 1 85 85 LYS H H 85 9.517 9.517 9.134 0.383 19438 9515 1 12 . 1 1 86 86 LEU N N 86 123.830 123.830 124.752 -0.922 19438 9516 1 12 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.759 0.388 19438 9517 1 12 . 1 1 86 86 LEU C C 86 174.760 174.760 175.878 -1.118 19438 9518 1 12 . 1 1 86 86 LEU CA C 86 54.210 54.210 53.892 0.318 19438 9519 1 12 . 1 1 86 86 LEU CB C 86 44.830 44.830 42.645 2.185 19438 9520 1 12 . 1 1 86 86 LEU H H 86 8.400 8.400 9.149 -0.749 19438 9521 1 12 . 1 1 87 87 ARG N N 87 128.610 128.610 124.018 4.592 19438 9522 1 12 . 1 1 87 87 ARG HA H 87 5.473 5.473 5.081 0.392 19438 9523 1 12 . 1 1 87 87 ARG C C 87 176.130 176.130 175.402 0.728 19438 9524 1 12 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.649 0.321 19438 9525 1 12 . 1 1 87 87 ARG CB C 87 34.230 34.230 32.983 1.248 19438 9526 1 12 . 1 1 87 87 ARG H H 87 9.647 9.647 9.361 0.286 19438 9527 1 12 . 1 1 88 88 LYS N N 88 122.810 122.810 124.815 -2.005 19438 9528 1 12 . 1 1 88 88 LYS HA H 88 4.138 4.138 3.942 0.196 19438 9529 1 12 . 1 1 88 88 LYS C C 88 174.890 174.890 175.320 -0.430 19438 9530 1 12 . 1 1 88 88 LYS CA C 88 56.330 56.330 55.552 0.778 19438 9531 1 12 . 1 1 88 88 LYS CB C 88 34.310 34.310 33.101 1.209 19438 9532 1 12 . 1 1 88 88 LYS H H 88 8.510 8.510 8.593 -0.083 19438 9533 1 12 . 1 1 89 89 ILE N N 89 120.880 120.880 128.592 -7.712 19438 9534 1 12 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.304 0.327 19438 9535 1 12 . 1 1 89 89 ILE C C 89 176.400 176.400 173.679 2.721 19438 9536 1 12 . 1 1 89 89 ILE CA C 89 60.670 60.670 60.779 -0.109 19438 9537 1 12 . 1 1 89 89 ILE CB C 89 36.720 36.720 38.446 -1.726 19438 9538 1 12 . 1 1 89 89 ILE H H 89 7.470 7.470 8.032 -0.562 19438 9539 1 12 . 1 1 90 90 THR N N 90 116.610 116.610 120.074 -3.464 19438 9540 1 12 . 1 1 90 90 THR HA H 90 4.700 4.700 4.555 0.145 19438 9541 1 12 . 1 1 90 90 THR CA C 90 59.100 59.100 60.088 -0.988 19438 9542 1 12 . 1 1 90 90 THR CB C 90 72.600 72.600 71.783 0.817 19438 9543 1 12 . 1 1 90 90 THR H H 90 7.701 7.701 7.748 -0.047 19438 9544 1 12 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.199 -0.169 19438 9545 1 12 . 1 1 91 91 GLU C C 91 177.100 177.100 176.411 0.689 19438 9546 1 12 . 1 1 91 91 GLU CA C 91 59.640 59.640 57.654 1.986 19438 9547 1 12 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.057 -0.007 19438 9548 1 12 . 1 1 92 92 ASN N N 92 113.650 113.650 117.799 -4.149 19438 9549 1 12 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.768 -0.068 19438 9550 1 12 . 1 1 92 92 ASN C C 92 174.100 174.100 175.303 -1.203 19438 9551 1 12 . 1 1 92 92 ASN CA C 92 53.490 53.490 53.668 -0.178 19438 9552 1 12 . 1 1 92 92 ASN CB C 92 39.270 39.270 38.822 0.448 19438 9553 1 12 . 1 1 92 92 ASN H H 92 7.915 7.915 7.687 0.228 19438 9554 1 12 . 1 1 93 93 CYS N N 93 120.190 120.190 122.188 -1.998 19438 9555 1 12 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.794 0.282 19438 9556 1 12 . 1 1 93 93 CYS CA C 93 52.610 52.610 56.286 -3.676 19438 9557 1 12 . 1 1 93 93 CYS CB C 93 42.090 42.090 27.822 14.268 19438 9558 1 12 . 1 1 93 93 CYS H H 93 7.514 7.514 7.904 -0.390 19438 9559 1 12 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.698 0.092 19438 9560 1 12 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.352 0.148 19438 9561 1 12 . 1 1 95 95 PRO C C 95 177.770 177.770 176.458 1.312 19438 9562 1 12 . 1 1 95 95 PRO CA C 95 62.740 62.740 63.141 -0.401 19438 9563 1 12 . 1 1 95 95 PRO CB C 95 32.100 32.100 31.984 0.116 19438 9564 1 12 . 1 1 96 96 VAL N N 96 123.600 123.600 124.352 -0.752 19438 9565 1 12 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.126 -0.179 19438 9566 1 12 . 1 1 96 96 VAL C C 96 175.780 175.780 175.793 -0.013 19438 9567 1 12 . 1 1 96 96 VAL CA C 96 62.100 62.100 61.674 0.426 19438 9568 1 12 . 1 1 96 96 VAL CB C 96 32.580 32.580 33.324 -0.744 19438 9569 1 12 . 1 1 96 96 VAL H H 96 9.071 9.071 8.117 0.954 19438 9570 1 12 . 1 1 97 97 ASP N N 97 125.400 125.400 122.120 3.280 19438 9571 1 12 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.873 -0.203 19438 9572 1 12 . 1 1 97 97 ASP C C 97 175.410 175.410 175.483 -0.073 19438 9573 1 12 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.026 0.984 19438 9574 1 12 . 1 1 97 97 ASP CB C 97 41.580 41.580 42.892 -1.312 19438 9575 1 12 . 1 1 97 97 ASP H H 97 8.313 8.313 8.474 -0.161 19438 9576 1 12 . 1 1 98 98 GLY N N 98 108.310 108.310 107.832 0.478 19438 9577 1 12 . 1 1 98 98 GLY C C 98 173.140 173.140 172.936 0.204 19438 9578 1 12 . 1 1 98 98 GLY CA C 98 45.270 45.270 44.743 0.527 19438 9579 1 12 . 1 1 98 98 GLY H H 98 7.838 7.838 8.137 -0.299 19438 9580 1 12 . 1 1 99 99 ASN N N 99 120.050 120.050 120.516 -0.466 19438 9581 1 12 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.494 0.688 19438 9582 1 12 . 1 1 99 99 ASN C C 99 174.700 174.700 174.902 -0.202 19438 9583 1 12 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.873 -0.754 19438 9584 1 12 . 1 1 99 99 ASN CB C 99 39.360 39.360 38.613 0.747 19438 9585 1 12 . 1 1 99 99 ASN H H 99 8.685 8.685 8.311 0.374 19438 9586 1 12 . 1 1 100 100 ARG N N 100 121.100 121.100 125.318 -4.218 19438 9587 1 12 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.603 0.306 19438 9588 1 12 . 1 1 100 100 ARG C C 100 176.930 176.930 175.548 1.382 19438 9589 1 12 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.689 0.121 19438 9590 1 12 . 1 1 100 100 ARG CB C 100 31.710 31.710 30.470 1.240 19438 9591 1 12 . 1 1 100 100 ARG H H 100 8.502 8.502 8.093 0.409 19438 9592 1 12 . 1 1 101 101 CYS N N 101 121.180 121.180 124.894 -3.714 19438 9593 1 12 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.450 0.256 19438 9594 1 12 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.833 -3.563 19438 9595 1 12 . 1 1 101 101 CYS H H 101 8.607 8.607 8.565 0.042 19438 9596 1 12 . 1 1 102 102 SER HA H 102 4.565 4.565 4.350 0.215 19438 9597 1 12 . 1 1 102 102 SER C C 102 174.220 174.220 173.812 0.408 19438 9598 1 12 . 1 1 102 102 SER CA C 102 57.900 57.900 58.781 -0.881 19438 9599 1 12 . 1 1 102 102 SER CB C 102 63.700 63.700 63.601 0.099 19438 9600 1 12 . 1 1 103 103 VAL N N 103 122.910 122.910 125.561 -2.651 19438 9601 1 12 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.026 0.196 19438 9602 1 12 . 1 1 103 103 VAL C C 103 175.070 175.070 176.043 -0.973 19438 9603 1 12 . 1 1 103 103 VAL CA C 103 62.440 62.440 63.285 -0.845 19438 9604 1 12 . 1 1 103 103 VAL H H 103 8.332 8.332 8.321 0.011 19438 9605 1 12 . 1 1 104 104 LEU N N 104 125.940 125.940 127.294 -1.354 19438 9606 1 12 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.693 -0.280 19438 9607 1 12 . 1 1 104 104 LEU C C 104 177.220 177.220 175.700 1.520 19438 9608 1 12 . 1 1 104 104 LEU CA C 104 55.930 55.930 54.129 1.801 19438 9609 1 12 . 1 1 104 104 LEU CB C 104 42.890 42.890 43.920 -1.030 19438 9610 1 12 . 1 1 104 104 LEU H H 104 8.831 8.831 7.902 0.929 19438 9611 1 12 . 1 1 105 105 GLU N N 105 120.540 120.540 119.828 0.712 19438 9612 1 12 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.579 -0.168 19438 9613 1 12 . 1 1 105 105 GLU C C 105 175.400 175.400 177.940 -2.540 19438 9614 1 12 . 1 1 105 105 GLU CA C 105 55.890 55.890 55.421 0.469 19438 9615 1 12 . 1 1 105 105 GLU CB C 105 30.460 30.460 30.605 -0.145 19438 9616 1 12 . 1 1 105 105 GLU H H 105 8.070 8.070 8.364 -0.294 19438 9617 1 12 . 1 1 106 106 PHE N N 106 124.060 124.060 122.535 1.525 19438 9618 1 12 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.231 -0.170 19438 9619 1 12 . 1 1 106 106 PHE C C 106 175.880 175.880 177.544 -1.664 19438 9620 1 12 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.968 0.152 19438 9621 1 12 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.246 0.424 19438 9622 1 12 . 1 1 106 106 PHE H H 106 8.666 8.666 8.840 -0.174 19438 9623 1 12 . 1 1 107 107 GLU N N 107 117.290 117.290 117.943 -0.653 19438 9624 1 12 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.623 0.263 19438 9625 1 12 . 1 1 107 107 GLU C C 107 178.050 178.050 179.090 -1.040 19438 9626 1 12 . 1 1 107 107 GLU CA C 107 59.360 59.360 59.192 0.168 19438 9627 1 12 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.228 0.102 19438 9628 1 12 . 1 1 107 107 GLU H H 107 8.932 8.932 8.683 0.249 19438 9629 1 12 . 1 1 108 108 ARG N N 108 117.240 117.240 119.688 -2.448 19438 9630 1 12 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.165 0.143 19438 9631 1 12 . 1 1 108 108 ARG C C 108 177.930 177.930 178.012 -0.082 19438 9632 1 12 . 1 1 108 108 ARG CA C 108 57.120 57.120 58.272 -1.152 19438 9633 1 12 . 1 1 108 108 ARG CB C 108 31.110 31.110 30.109 1.001 19438 9634 1 12 . 1 1 108 108 ARG H H 108 7.533 7.533 8.091 -0.558 19438 9635 1 12 . 1 1 109 109 ASP N N 109 120.040 120.040 120.433 -0.393 19438 9636 1 12 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.448 0.152 19438 9637 1 12 . 1 1 109 109 ASP C C 109 177.980 177.980 178.113 -0.133 19438 9638 1 12 . 1 1 109 109 ASP CA C 109 56.810 56.810 56.507 0.303 19438 9639 1 12 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.434 1.065 19438 9640 1 12 . 1 1 109 109 ASP H H 109 8.295 8.295 7.858 0.437 19438 9641 1 12 . 1 1 110 110 ILE N N 110 118.710 118.710 120.855 -2.145 19438 9642 1 12 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.664 0.130 19438 9643 1 12 . 1 1 110 110 ILE C C 110 176.740 176.740 176.611 0.129 19438 9644 1 12 . 1 1 110 110 ILE CA C 110 61.850 61.850 64.630 -2.780 19438 9645 1 12 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.864 -0.834 19438 9646 1 12 . 1 1 110 110 ILE H H 110 8.081 8.081 8.315 -0.234 19438 9647 1 12 . 1 1 111 111 GLU N N 111 121.140 121.140 120.272 0.868 19438 9648 1 12 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.898 0.064 19438 9649 1 12 . 1 1 111 111 GLU C C 111 177.400 177.400 178.440 -1.040 19438 9650 1 12 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.590 0.010 19438 9651 1 12 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.408 -0.108 19438 9652 1 12 . 1 1 111 111 GLU H H 111 7.558 7.558 7.712 -0.154 19438 9653 1 12 . 1 1 112 112 CYS N N 112 117.380 117.380 118.635 -1.255 19438 9654 1 12 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.069 0.034 19438 9655 1 12 . 1 1 112 112 CYS C C 112 176.570 176.570 176.877 -0.307 19438 9656 1 12 . 1 1 112 112 CYS CA C 112 59.290 59.290 63.180 -3.890 19438 9657 1 12 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.041 15.869 19438 9658 1 12 . 1 1 112 112 CYS H H 112 7.739 7.739 8.085 -0.346 19438 9659 1 12 . 1 1 113 113 ILE N N 113 118.520 118.520 120.662 -2.142 19438 9660 1 12 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.765 0.068 19438 9661 1 12 . 1 1 113 113 ILE C C 113 177.220 177.220 178.490 -1.270 19438 9662 1 12 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.866 -0.456 19438 9663 1 12 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.402 1.028 19438 9664 1 12 . 1 1 113 113 ILE H H 113 7.682 7.682 8.051 -0.369 19438 9665 1 12 . 1 1 114 114 VAL N N 114 120.390 120.390 120.777 -0.387 19438 9666 1 12 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.527 -0.059 19438 9667 1 12 . 1 1 114 114 VAL C C 114 177.970 177.970 178.480 -0.510 19438 9668 1 12 . 1 1 114 114 VAL CA C 114 67.960 67.960 66.869 1.091 19438 9669 1 12 . 1 1 114 114 VAL CB C 114 31.730 31.730 30.672 1.058 19438 9670 1 12 . 1 1 114 114 VAL H H 114 7.765 7.765 8.388 -0.623 19438 9671 1 12 . 1 1 115 115 LYS N N 115 118.840 118.840 119.579 -0.739 19438 9672 1 12 . 1 1 115 115 LYS HA H 115 4.129 4.129 4.161 -0.032 19438 9673 1 12 . 1 1 115 115 LYS C C 115 178.870 178.870 179.118 -0.248 19438 9674 1 12 . 1 1 115 115 LYS CA C 115 59.300 59.300 58.555 0.745 19438 9675 1 12 . 1 1 115 115 LYS CB C 115 31.910 31.910 31.661 0.249 19438 9676 1 12 . 1 1 115 115 LYS H H 115 8.314 8.314 8.591 -0.277 19438 9677 1 12 . 1 1 116 116 ALA N N 116 121.000 121.000 122.727 -1.727 19438 9678 1 12 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.141 0.085 19438 9679 1 12 . 1 1 116 116 ALA C C 116 181.600 181.600 180.036 1.564 19438 9680 1 12 . 1 1 116 116 ALA CA C 116 55.320 55.320 55.004 0.316 19438 9681 1 12 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.160 0.490 19438 9682 1 12 . 1 1 116 116 ALA H H 116 7.427 7.427 7.909 -0.482 19438 9683 1 12 . 1 1 117 117 ILE N N 117 120.090 120.090 118.855 1.235 19438 9684 1 12 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.505 -0.192 19438 9685 1 12 . 1 1 117 117 ILE C C 117 177.630 177.630 177.827 -0.197 19438 9686 1 12 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.669 0.841 19438 9687 1 12 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.701 0.159 19438 9688 1 12 . 1 1 117 117 ILE H H 117 8.121 8.121 7.959 0.162 19438 9689 1 12 . 1 1 118 118 GLU N N 118 119.300 119.300 119.828 -0.528 19438 9690 1 12 . 1 1 118 118 GLU HA H 118 3.886 3.886 4.058 -0.172 19438 9691 1 12 . 1 1 118 118 GLU C C 118 179.850 179.850 179.354 0.496 19438 9692 1 12 . 1 1 118 118 GLU CA C 118 60.760 60.760 60.117 0.643 19438 9693 1 12 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.472 0.178 19438 9694 1 12 . 1 1 118 118 GLU H H 118 8.657 8.657 8.714 -0.057 19438 9695 1 12 . 1 1 119 119 GLU N N 119 119.080 119.080 118.738 0.342 19438 9696 1 12 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.224 -0.156 19438 9697 1 12 . 1 1 119 119 GLU C C 119 178.670 178.670 178.813 -0.143 19438 9698 1 12 . 1 1 119 119 GLU CA C 119 59.390 59.390 58.733 0.656 19438 9699 1 12 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.646 0.074 19438 9700 1 12 . 1 1 119 119 GLU H H 119 8.596 8.596 8.531 0.065 19438 9701 1 12 . 1 1 120 120 CYS N N 120 117.950 117.950 119.060 -1.110 19438 9702 1 12 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.512 -0.070 19438 9703 1 12 . 1 1 120 120 CYS C C 120 177.280 177.280 176.930 0.350 19438 9704 1 12 . 1 1 120 120 CYS CA C 120 58.480 58.480 61.519 -3.039 19438 9705 1 12 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.472 12.948 19438 9706 1 12 . 1 1 120 120 CYS H H 120 7.686 7.686 7.350 0.336 19438 9707 1 12 . 1 1 121 121 LEU N N 121 118.000 118.000 120.227 -2.227 19438 9708 1 12 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.143 -0.122 19438 9709 1 12 . 1 1 121 121 LEU C C 121 179.010 179.010 178.830 0.180 19438 9710 1 12 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.517 0.153 19438 9711 1 12 . 1 1 121 121 LEU CB C 121 41.380 41.380 42.039 -0.659 19438 9712 1 12 . 1 1 121 121 LEU H H 121 8.194 8.194 8.096 0.098 19438 9713 1 12 . 1 1 122 122 ALA N N 122 119.940 119.940 117.937 2.003 19438 9714 1 12 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.154 0.072 19438 9715 1 12 . 1 1 122 122 ALA C C 122 179.040 179.040 178.487 0.553 19438 9716 1 12 . 1 1 122 122 ALA CA C 122 54.160 54.160 53.275 0.885 19438 9717 1 12 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.812 0.068 19438 9718 1 12 . 1 1 122 122 ALA H H 122 7.974 7.974 8.062 -0.088 19438 9719 1 12 . 1 1 123 123 LYS N N 123 117.940 117.940 117.625 0.315 19438 9720 1 12 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.166 0.025 19438 9721 1 12 . 1 1 123 123 LYS C C 123 177.770 177.770 176.496 1.274 19438 9722 1 12 . 1 1 123 123 LYS CA C 123 57.710 57.710 55.601 2.109 19438 9723 1 12 . 1 1 123 123 LYS CB C 123 32.570 32.570 32.661 -0.091 19438 9724 1 12 . 1 1 123 123 LYS H H 123 7.774 7.774 7.519 0.255 19438 9725 1 12 . 1 1 124 124 GLY N N 124 107.510 107.510 106.950 0.560 19438 9726 1 12 . 1 1 124 124 GLY C C 124 174.290 174.290 173.727 0.563 19438 9727 1 12 . 1 1 124 124 GLY CA C 124 46.060 46.060 44.286 1.774 19438 9728 1 12 . 1 1 124 124 GLY H H 124 8.084 8.084 7.111 0.973 19438 9729 1 12 . 1 1 125 125 GLU N N 125 120.170 120.170 120.186 -0.016 19438 9730 1 12 . 1 1 125 125 GLU HA H 125 4.318 4.318 3.938 0.380 19438 9731 1 12 . 1 1 125 125 GLU C C 125 176.940 176.940 175.047 1.893 19438 9732 1 12 . 1 1 125 125 GLU CA C 125 56.780 56.780 55.703 1.077 19438 9733 1 12 . 1 1 125 125 GLU CB C 125 30.760 30.760 27.070 3.690 19438 9734 1 12 . 1 1 125 125 GLU H H 125 7.997 7.997 8.441 -0.444 19438 9735 1 12 . 1 1 126 126 LEU N N 126 122.210 122.210 121.904 0.306 19438 9736 1 12 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.430 -0.120 19438 9737 1 12 . 1 1 126 126 LEU C C 126 177.320 177.320 175.336 1.984 19438 9738 1 12 . 1 1 126 126 LEU CA C 126 55.940 55.940 54.283 1.657 19438 9739 1 12 . 1 1 126 126 LEU CB C 126 42.540 42.540 42.279 0.261 19438 9740 1 12 . 1 1 126 126 LEU H H 126 8.218 8.218 7.828 0.390 19438 9741 1 12 . 1 1 127 127 ASN N N 127 119.250 119.250 121.468 -2.218 19438 9742 1 12 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.853 -0.159 19438 9743 1 12 . 1 1 127 127 ASN C C 127 175.720 175.720 173.828 1.892 19438 9744 1 12 . 1 1 127 127 ASN CA C 127 53.930 53.930 53.359 0.571 19438 9745 1 12 . 1 1 127 127 ASN CB C 127 38.970 38.970 41.155 -2.185 19438 9746 1 12 . 1 1 127 127 ASN H H 127 8.445 8.445 9.221 -0.776 19438 9747 1 12 . 1 1 128 128 SER N N 128 116.060 116.060 121.111 -5.051 19438 9748 1 12 . 1 1 128 128 SER HA H 128 4.373 4.373 4.695 -0.322 19438 9749 1 12 . 1 1 128 128 SER C C 128 174.830 174.830 173.761 1.069 19438 9750 1 12 . 1 1 128 128 SER CA C 128 59.120 59.120 59.470 -0.350 19438 9751 1 12 . 1 1 128 128 SER CB C 128 63.830 63.830 63.695 0.135 19438 9752 1 12 . 1 1 128 128 SER H H 128 8.182 8.182 8.367 -0.185 19438 9753 1 12 . 1 1 129 129 LYS N N 129 122.520 122.520 126.999 -4.479 19438 9754 1 12 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.520 -0.162 19438 9755 1 12 . 1 1 129 129 LYS C C 129 176.750 176.750 174.468 2.282 19438 9756 1 12 . 1 1 129 129 LYS CA C 129 56.710 56.710 55.927 0.783 19438 9757 1 12 . 1 1 129 129 LYS CB C 129 32.760 32.760 34.825 -2.064 19438 9758 1 12 . 1 1 129 129 LYS H H 129 8.154 8.154 8.455 -0.301 19438 9759 1 12 . 1 1 130 130 LEU N N 130 122.340 122.340 120.391 1.949 19438 9760 1 12 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.875 -0.547 19438 9761 1 12 . 1 1 130 130 LEU C C 130 177.430 177.430 175.474 1.956 19438 9762 1 12 . 1 1 130 130 LEU CA C 130 57.430 57.430 55.230 2.200 19438 9763 1 12 . 1 1 130 130 LEU CB C 130 42.380 42.380 43.392 -1.012 19438 9764 1 12 . 1 1 130 130 LEU H H 130 8.070 8.070 8.494 -0.424 19438 9765 1 12 . 1 1 131 131 GLU N N 131 121.450 121.450 125.320 -3.870 19438 9766 1 12 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.471 -0.176 19438 9767 1 12 . 1 1 131 131 GLU C C 131 176.920 176.920 175.472 1.448 19438 9768 1 12 . 1 1 131 131 GLU CA C 131 56.690 56.690 56.383 0.307 19438 9769 1 12 . 1 1 131 131 GLU CB C 131 30.380 30.380 30.933 -0.553 19438 9770 1 12 . 1 1 131 131 GLU H H 131 8.250 8.250 8.777 -0.527 19438 9771 1 12 . 1 1 132 132 GLY N N 132 109.900 109.900 110.187 -0.287 19438 9772 1 12 . 1 1 132 132 GLY C C 132 173.770 173.770 172.744 1.026 19438 9773 1 12 . 1 1 132 132 GLY CA C 132 45.290 45.290 45.262 0.028 19438 9774 1 12 . 1 1 132 132 GLY H H 132 8.334 8.334 8.044 0.290 19438 9775 1 12 . 1 1 133 133 LYS N N 133 121.920 121.920 121.900 0.020 19438 9776 1 12 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.703 -0.039 19438 9777 1 12 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.749 0.401 19438 9778 1 12 . 1 1 133 133 LYS CB C 133 32.710 32.710 34.867 -2.157 19438 9779 1 12 . 1 1 133 133 LYS H H 133 8.037 8.037 8.218 -0.181 19438 9780 1 12 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.655 -0.204 19438 9781 1 12 . 1 1 134 134 PRO C C 134 176.670 176.670 175.736 0.934 19438 9782 1 12 . 1 1 134 134 PRO CA C 134 62.940 62.940 63.070 -0.130 19438 9783 1 12 . 1 1 134 134 PRO CB C 134 31.890 31.890 31.971 -0.081 19438 9784 1 12 . 1 1 135 135 ILE N N 135 122.710 122.710 125.873 -3.163 19438 9785 1 12 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.614 -0.186 19438 9786 1 12 . 1 1 135 135 ILE CA C 135 58.770 58.770 56.639 2.131 19438 9787 1 12 . 1 1 135 135 ILE CB C 135 38.640 38.640 39.606 -0.966 19438 9788 1 12 . 1 1 135 135 ILE H H 135 8.227 8.227 8.280 -0.053 19438 9789 1 12 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.542 -0.170 19438 9790 1 12 . 1 1 136 136 PRO C C 136 176.330 176.330 175.645 0.685 19438 9791 1 12 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.146 1.104 19438 9792 1 12 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.057 -0.047 19438 9793 1 12 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.976 -0.035 19438 9794 1 12 . 1 1 137 137 ASN CA C 137 51.270 51.270 50.649 0.621 19438 9795 1 12 . 1 1 137 137 ASN CB C 137 38.670 38.670 40.065 -1.395 19438 9796 1 12 . 1 1 137 137 ASN H H 137 8.383 8.383 8.420 -0.037 19438 9797 1 12 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.453 -0.049 19438 9798 1 12 . 1 1 138 138 PRO C C 138 177.210 177.210 175.902 1.308 19438 9799 1 12 . 1 1 138 138 PRO CA C 138 63.310 63.310 62.951 0.359 19438 9800 1 12 . 1 1 138 138 PRO CB C 138 32.100 32.100 30.098 2.002 19438 9801 1 12 . 1 1 139 139 LEU N N 139 119.860 119.860 125.581 -5.721 19438 9802 1 12 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.497 -0.196 19438 9803 1 12 . 1 1 139 139 LEU C C 139 177.640 177.640 174.726 2.914 19438 9804 1 12 . 1 1 139 139 LEU CA C 139 55.610 55.610 53.347 2.263 19438 9805 1 12 . 1 1 139 139 LEU CB C 139 41.540 41.540 41.016 0.524 19438 9806 1 12 . 1 1 139 139 LEU H H 139 8.096 8.096 8.111 -0.015 19438 9807 1 12 . 1 1 140 140 LEU N N 140 121.040 121.040 116.979 4.061 19438 9808 1 12 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.637 -0.322 19438 9809 1 12 . 1 1 140 140 LEU C C 140 177.840 177.840 177.806 0.034 19438 9810 1 12 . 1 1 140 140 LEU CA C 140 55.370 55.370 55.275 0.095 19438 9811 1 12 . 1 1 140 140 LEU CB C 140 42.390 42.390 42.809 -0.419 19438 9812 1 12 . 1 1 140 140 LEU H H 140 7.749 7.749 7.398 0.351 19438 9813 1 12 . 1 1 141 141 GLY N N 141 108.960 108.960 110.113 -1.153 19438 9814 1 12 . 1 1 141 141 GLY C C 141 174.380 174.380 174.298 0.082 19438 9815 1 12 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.004 0.646 19438 9816 1 12 . 1 1 141 141 GLY H H 141 8.231 8.231 8.573 -0.342 19438 9817 1 12 . 1 1 142 142 LEU N N 142 121.470 121.470 124.611 -3.141 19438 9818 1 12 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.393 -0.057 19438 9819 1 12 . 1 1 142 142 LEU C C 142 177.390 177.390 175.209 2.181 19438 9820 1 12 . 1 1 142 142 LEU CA C 142 55.630 55.630 54.715 0.915 19438 9821 1 12 . 1 1 142 142 LEU CB C 142 42.600 42.600 41.361 1.239 19438 9822 1 12 . 1 1 142 142 LEU H H 142 8.004 8.004 7.752 0.252 19438 9823 1 12 . 1 1 143 143 ASP N N 143 120.770 120.770 124.660 -3.890 19438 9824 1 12 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.888 -0.215 19438 9825 1 12 . 1 1 143 143 ASP C C 143 176.870 176.870 175.314 1.556 19438 9826 1 12 . 1 1 143 143 ASP CA C 143 54.400 54.400 52.625 1.775 19438 9827 1 12 . 1 1 143 143 ASP CB C 143 41.170 41.170 44.282 -3.112 19438 9828 1 12 . 1 1 143 143 ASP H H 143 8.380 8.380 7.958 0.422 19438 9829 1 12 . 1 1 144 144 SER N N 144 116.820 116.820 119.262 -2.442 19438 9830 1 12 . 1 1 144 144 SER HA H 144 4.413 4.413 4.765 -0.352 19438 9831 1 12 . 1 1 144 144 SER C C 144 175.300 175.300 174.327 0.973 19438 9832 1 12 . 1 1 144 144 SER CA C 144 59.190 59.190 57.327 1.863 19438 9833 1 12 . 1 1 144 144 SER CB C 144 63.770 63.770 64.080 -0.310 19438 9834 1 12 . 1 1 144 144 SER H H 144 8.298 8.298 8.397 -0.099 19438 9835 1 12 . 1 1 145 145 THR N N 145 114.870 114.870 120.892 -6.022 19438 9836 1 12 . 1 1 145 145 THR HA H 145 4.419 4.419 4.133 0.286 19438 9837 1 12 . 1 1 145 145 THR C C 145 175.070 175.070 174.439 0.631 19438 9838 1 12 . 1 1 145 145 THR CA C 145 62.880 62.880 63.778 -0.897 19438 9839 1 12 . 1 1 145 145 THR CB C 145 69.710 69.710 68.730 0.980 19438 9840 1 12 . 1 1 145 145 THR H H 145 8.208 8.208 8.442 -0.234 19438 9841 1 12 . 1 1 146 146 ARG N N 146 122.450 122.450 128.377 -5.927 19438 9842 1 12 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.565 -0.183 19438 9843 1 12 . 1 1 146 146 ARG C C 146 176.570 176.570 174.403 2.167 19438 9844 1 12 . 1 1 146 146 ARG CA C 146 56.350 56.350 55.289 1.061 19438 9845 1 12 . 1 1 146 146 ARG CB C 146 30.620 30.620 32.414 -1.794 19438 9846 1 12 . 1 1 146 146 ARG H H 146 8.122 8.122 8.273 -0.151 19438 9847 1 12 . 1 1 147 147 THR N N 147 113.830 113.830 118.889 -5.059 19438 9848 1 12 . 1 1 147 147 THR HA H 147 4.400 4.400 4.496 -0.096 19438 9849 1 12 . 1 1 147 147 THR C C 147 175.200 175.200 174.011 1.189 19438 9850 1 12 . 1 1 147 147 THR CA C 147 62.110 62.110 61.567 0.543 19438 9851 1 12 . 1 1 147 147 THR CB C 147 69.950 69.950 69.427 0.523 19438 9852 1 12 . 1 1 147 147 THR H H 147 8.039 8.039 8.272 -0.233 19438 9853 1 13 . 1 1 2 2 LYS N N 2 124.740 124.740 120.145 4.595 19438 9854 1 13 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.679 0.131 19438 9855 1 13 . 1 1 2 2 LYS C C 2 173.640 173.640 175.552 -1.912 19438 9856 1 13 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.899 -1.939 19438 9857 1 13 . 1 1 2 2 LYS CB C 2 34.850 34.850 33.956 0.894 19438 9858 1 13 . 1 1 2 2 LYS H H 2 8.620 8.620 8.715 -0.095 19438 9859 1 13 . 1 1 3 3 TYR N N 3 114.840 114.840 121.791 -6.951 19438 9860 1 13 . 1 1 3 3 TYR HA H 3 5.252 5.252 5.077 0.175 19438 9861 1 13 . 1 1 3 3 TYR C C 3 174.920 174.920 174.833 0.087 19438 9862 1 13 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.261 0.099 19438 9863 1 13 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.747 1.423 19438 9864 1 13 . 1 1 3 3 TYR H H 3 8.927 8.927 9.414 -0.487 19438 9865 1 13 . 1 1 4 4 ASP N N 4 119.790 119.790 122.167 -2.377 19438 9866 1 13 . 1 1 4 4 ASP HA H 4 5.479 5.479 5.122 0.357 19438 9867 1 13 . 1 1 4 4 ASP C C 4 175.780 175.780 174.806 0.974 19438 9868 1 13 . 1 1 4 4 ASP CA C 4 52.900 52.900 52.965 -0.065 19438 9869 1 13 . 1 1 4 4 ASP CB C 4 43.970 43.970 42.763 1.208 19438 9870 1 13 . 1 1 4 4 ASP H H 4 9.170 9.170 9.166 0.004 19438 9871 1 13 . 1 1 5 5 VAL N N 5 122.030 122.030 126.679 -4.649 19438 9872 1 13 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.795 -0.073 19438 9873 1 13 . 1 1 5 5 VAL C C 5 174.520 174.520 173.805 0.715 19438 9874 1 13 . 1 1 5 5 VAL CA C 5 62.100 62.100 60.674 1.426 19438 9875 1 13 . 1 1 5 5 VAL CB C 5 31.720 31.720 33.394 -1.674 19438 9876 1 13 . 1 1 5 5 VAL H H 5 8.733 8.733 9.020 -0.287 19438 9877 1 13 . 1 1 6 6 VAL N N 6 128.380 128.380 130.009 -1.629 19438 9878 1 13 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.602 0.044 19438 9879 1 13 . 1 1 6 6 VAL C C 6 174.330 174.330 174.368 -0.038 19438 9880 1 13 . 1 1 6 6 VAL CA C 6 61.750 61.750 61.133 0.617 19438 9881 1 13 . 1 1 6 6 VAL CB C 6 34.060 34.060 32.998 1.062 19438 9882 1 13 . 1 1 6 6 VAL H H 6 9.338 9.338 9.132 0.206 19438 9883 1 13 . 1 1 7 7 ILE N N 7 127.540 127.540 129.336 -1.796 19438 9884 1 13 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.125 0.035 19438 9885 1 13 . 1 1 7 7 ILE C C 7 175.260 175.260 173.779 1.481 19438 9886 1 13 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.504 1.706 19438 9887 1 13 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.837 -0.737 19438 9888 1 13 . 1 1 7 7 ILE H H 7 9.295 9.295 9.165 0.130 19438 9889 1 13 . 1 1 8 8 ILE N N 8 126.500 126.500 130.328 -3.828 19438 9890 1 13 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.634 0.128 19438 9891 1 13 . 1 1 8 8 ILE CA C 8 58.790 58.790 57.679 1.111 19438 9892 1 13 . 1 1 8 8 ILE CB C 8 41.100 41.100 38.477 2.623 19438 9893 1 13 . 1 1 8 8 ILE H H 8 9.573 9.573 9.191 0.382 19438 9894 1 13 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.171 0.154 19438 9895 1 13 . 1 1 9 9 PRO C C 9 174.390 174.390 175.808 -1.418 19438 9896 1 13 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.733 -0.663 19438 9897 1 13 . 1 1 9 9 PRO CB C 9 31.600 31.600 32.370 -0.770 19438 9898 1 13 . 1 1 10 10 GLU N N 10 120.480 120.480 120.505 -0.025 19438 9899 1 13 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.724 0.049 19438 9900 1 13 . 1 1 10 10 GLU C C 10 174.950 174.950 175.139 -0.189 19438 9901 1 13 . 1 1 10 10 GLU CA C 10 55.600 55.600 55.502 0.098 19438 9902 1 13 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.469 0.511 19438 9903 1 13 . 1 1 10 10 GLU H H 10 9.218 9.218 9.311 -0.093 19438 9904 1 13 . 1 1 11 11 SER N N 11 117.470 117.470 119.939 -2.469 19438 9905 1 13 . 1 1 11 11 SER HA H 11 4.686 4.686 4.835 -0.149 19438 9906 1 13 . 1 1 11 11 SER C C 11 174.460 174.460 174.990 -0.530 19438 9907 1 13 . 1 1 11 11 SER CA C 11 57.490 57.490 58.141 -0.651 19438 9908 1 13 . 1 1 11 11 SER CB C 11 64.820 64.820 64.132 0.688 19438 9909 1 13 . 1 1 11 11 SER H H 11 8.595 8.595 8.305 0.290 19438 9910 1 13 . 1 1 12 12 PHE N N 12 122.760 122.760 126.478 -3.718 19438 9911 1 13 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.536 0.135 19438 9912 1 13 . 1 1 12 12 PHE C C 12 175.440 175.440 174.467 0.973 19438 9913 1 13 . 1 1 12 12 PHE CA C 12 58.580 58.580 58.002 0.578 19438 9914 1 13 . 1 1 12 12 PHE CB C 12 39.940 39.940 38.616 1.324 19438 9915 1 13 . 1 1 12 12 PHE H H 12 8.298 8.298 8.539 -0.241 19438 9916 1 13 . 1 1 13 13 HIS N N 13 120.600 120.600 123.338 -2.738 19438 9917 1 13 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.896 -0.281 19438 9918 1 13 . 1 1 13 13 HIS C C 13 174.530 174.530 174.173 0.357 19438 9919 1 13 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.388 0.222 19438 9920 1 13 . 1 1 13 13 HIS CB C 13 31.000 31.000 33.872 -2.872 19438 9921 1 13 . 1 1 13 13 HIS H H 13 8.243 8.243 8.299 -0.056 19438 9922 1 13 . 1 1 14 14 ARG N N 14 122.290 122.290 124.889 -2.599 19438 9923 1 13 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.452 -0.233 19438 9924 1 13 . 1 1 14 14 ARG C C 14 176.070 176.070 175.932 0.138 19438 9925 1 13 . 1 1 14 14 ARG CA C 14 56.580 56.580 55.354 1.226 19438 9926 1 13 . 1 1 14 14 ARG CB C 14 30.790 30.790 30.206 0.584 19438 9927 1 13 . 1 1 14 14 ARG H H 14 8.320 8.320 8.808 -0.488 19438 9928 1 13 . 1 1 15 15 PHE N N 15 120.220 120.220 128.014 -7.794 19438 9929 1 13 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.542 0.154 19438 9930 1 13 . 1 1 15 15 PHE C C 15 175.550 175.550 175.158 0.392 19438 9931 1 13 . 1 1 15 15 PHE CA C 15 57.630 57.630 59.365 -1.736 19438 9932 1 13 . 1 1 15 15 PHE CB C 15 39.920 39.920 38.612 1.308 19438 9933 1 13 . 1 1 15 15 PHE H H 15 8.409 8.409 8.535 -0.126 19438 9934 1 13 . 1 1 16 16 ASP N N 16 121.370 121.370 128.135 -6.765 19438 9935 1 13 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.574 -0.023 19438 9936 1 13 . 1 1 16 16 ASP C C 16 176.590 176.590 175.832 0.758 19438 9937 1 13 . 1 1 16 16 ASP CA C 16 54.180 54.180 55.354 -1.174 19438 9938 1 13 . 1 1 16 16 ASP CB C 16 41.410 41.410 42.786 -1.376 19438 9939 1 13 . 1 1 16 16 ASP H H 16 8.397 8.397 8.444 -0.047 19438 9940 1 13 . 1 1 17 17 LYS N N 17 119.880 119.880 117.843 2.037 19438 9941 1 13 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.168 -0.001 19438 9942 1 13 . 1 1 17 17 LYS C C 17 176.550 176.550 176.489 0.061 19438 9943 1 13 . 1 1 17 17 LYS CA C 17 57.110 57.110 57.703 -0.593 19438 9944 1 13 . 1 1 17 17 LYS CB C 17 32.420 32.420 33.983 -1.563 19438 9945 1 13 . 1 1 17 17 LYS H H 17 8.188 8.188 8.130 0.058 19438 9946 1 13 . 1 1 18 18 HIS N N 18 118.390 118.390 115.295 3.095 19438 9947 1 13 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.638 0.012 19438 9948 1 13 . 1 1 18 18 HIS C C 18 175.020 175.020 174.002 1.018 19438 9949 1 13 . 1 1 18 18 HIS CA C 18 56.260 56.260 55.884 0.376 19438 9950 1 13 . 1 1 18 18 HIS CB C 18 30.010 30.010 31.948 -1.938 19438 9951 1 13 . 1 1 18 18 HIS H H 18 8.339 8.339 8.363 -0.024 19438 9952 1 13 . 1 1 19 19 ASN N N 19 118.700 118.700 116.952 1.748 19438 9953 1 13 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.634 0.038 19438 9954 1 13 . 1 1 19 19 ASN C C 19 175.170 175.170 174.247 0.923 19438 9955 1 13 . 1 1 19 19 ASN CA C 19 53.800 53.800 52.691 1.109 19438 9956 1 13 . 1 1 19 19 ASN CB C 19 38.730 38.730 39.703 -0.973 19438 9957 1 13 . 1 1 19 19 ASN H H 19 8.287 8.287 8.205 0.082 19438 9958 1 13 . 1 1 20 20 MET N N 20 120.140 120.140 114.538 5.602 19438 9959 1 13 . 1 1 20 20 MET HA H 20 4.475 4.475 4.253 0.222 19438 9960 1 13 . 1 1 20 20 MET C C 20 176.470 176.470 174.127 2.343 19438 9961 1 13 . 1 1 20 20 MET CA C 20 55.640 55.640 56.030 -0.390 19438 9962 1 13 . 1 1 20 20 MET CB C 20 33.500 33.500 31.088 2.412 19438 9963 1 13 . 1 1 20 20 MET H H 20 8.495 8.495 8.767 -0.272 19438 9964 1 13 . 1 1 21 21 GLU N N 21 120.920 120.920 120.913 0.007 19438 9965 1 13 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.580 -0.379 19438 9966 1 13 . 1 1 21 21 GLU C C 21 176.380 176.380 173.447 2.933 19438 9967 1 13 . 1 1 21 21 GLU CA C 21 57.330 57.330 56.908 0.422 19438 9968 1 13 . 1 1 21 21 GLU CB C 21 30.080 30.080 33.200 -3.120 19438 9969 1 13 . 1 1 21 21 GLU H H 21 8.450 8.450 8.114 0.336 19438 9970 1 13 . 1 1 22 22 HIS N N 22 119.650 119.650 124.696 -5.046 19438 9971 1 13 . 1 1 22 22 HIS HA H 22 4.687 4.687 4.634 0.053 19438 9972 1 13 . 1 1 22 22 HIS C C 22 174.470 174.470 172.658 1.812 19438 9973 1 13 . 1 1 22 22 HIS CA C 22 55.980 55.980 56.064 -0.084 19438 9974 1 13 . 1 1 22 22 HIS CB C 22 30.530 30.530 30.654 -0.124 19438 9975 1 13 . 1 1 22 22 HIS H H 22 8.334 8.334 8.771 -0.437 19438 9976 1 13 . 1 1 23 23 ILE N N 23 121.910 121.910 124.150 -2.240 19438 9977 1 13 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.171 -0.020 19438 9978 1 13 . 1 1 23 23 ILE C C 23 175.870 175.870 175.434 0.436 19438 9979 1 13 . 1 1 23 23 ILE CA C 23 61.170 61.170 59.106 2.064 19438 9980 1 13 . 1 1 23 23 ILE CB C 23 38.850 38.850 38.973 -0.123 19438 9981 1 13 . 1 1 23 23 ILE H H 23 7.782 7.782 8.074 -0.292 19438 9982 1 13 . 1 1 24 24 CYS N N 24 124.920 124.920 126.743 -1.823 19438 9983 1 13 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.710 0.084 19438 9984 1 13 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.226 -3.096 19438 9985 1 13 . 1 1 24 24 CYS CB C 24 42.470 42.470 28.618 13.852 19438 9986 1 13 . 1 1 24 24 CYS H H 24 8.697 8.697 8.385 0.312 19438 9987 1 13 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.546 0.184 19438 9988 1 13 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.568 0.186 19438 9989 1 13 . 1 1 26 26 PRO C C 26 175.820 175.820 175.691 0.129 19438 9990 1 13 . 1 1 26 26 PRO CA C 26 62.580 62.580 62.637 -0.057 19438 9991 1 13 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.515 0.075 19438 9992 1 13 . 1 1 27 27 MET N N 27 120.580 120.580 121.806 -1.226 19438 9993 1 13 . 1 1 27 27 MET HA H 27 5.180 5.180 4.739 0.441 19438 9994 1 13 . 1 1 27 27 MET C C 27 174.810 174.810 174.330 0.480 19438 9995 1 13 . 1 1 27 27 MET CA C 27 53.270 53.270 54.404 -1.134 19438 9996 1 13 . 1 1 27 27 MET CB C 27 34.580 34.580 36.595 -2.015 19438 9997 1 13 . 1 1 27 27 MET H H 27 9.055 9.055 8.951 0.104 19438 9998 1 13 . 1 1 28 28 VAL N N 28 122.030 122.030 125.069 -3.039 19438 9999 1 13 . 1 1 28 28 VAL HA H 28 5.093 5.093 4.993 0.100 19438 10000 1 13 . 1 1 28 28 VAL C C 28 175.710 175.710 174.178 1.532 19438 10001 1 13 . 1 1 28 28 VAL CA C 28 60.650 60.650 60.671 -0.021 19438 10002 1 13 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.960 0.510 19438 10003 1 13 . 1 1 28 28 VAL H H 28 8.575 8.575 8.271 0.304 19438 10004 1 13 . 1 1 29 29 ILE N N 29 129.440 129.440 126.267 3.173 19438 10005 1 13 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.476 -0.110 19438 10006 1 13 . 1 1 29 29 ILE C C 29 176.490 176.490 174.457 2.033 19438 10007 1 13 . 1 1 29 29 ILE CA C 29 61.260 61.260 59.356 1.904 19438 10008 1 13 . 1 1 29 29 ILE CB C 29 37.960 37.960 38.112 -0.152 19438 10009 1 13 . 1 1 29 29 ILE H H 29 9.200 9.200 9.072 0.128 19438 10010 1 13 . 1 1 30 30 GLY N N 30 112.580 112.580 112.743 -0.163 19438 10011 1 13 . 1 1 30 30 GLY C C 30 175.350 175.350 174.070 1.280 19438 10012 1 13 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.580 1.530 19438 10013 1 13 . 1 1 30 30 GLY H H 30 8.525 8.525 8.929 -0.404 19438 10014 1 13 . 1 1 31 31 ASP N N 31 121.320 121.320 120.564 0.756 19438 10015 1 13 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.622 -0.519 19438 10016 1 13 . 1 1 31 31 ASP C C 31 175.530 175.530 175.503 0.027 19438 10017 1 13 . 1 1 31 31 ASP CA C 31 55.530 55.530 53.779 1.751 19438 10018 1 13 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.787 -2.167 19438 10019 1 13 . 1 1 31 31 ASP H H 31 9.133 9.133 7.993 1.140 19438 10020 1 13 . 1 1 32 32 ARG N N 32 117.600 117.600 121.173 -3.573 19438 10021 1 13 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.906 0.125 19438 10022 1 13 . 1 1 32 32 ARG C C 32 177.060 177.060 175.822 1.238 19438 10023 1 13 . 1 1 32 32 ARG CA C 32 52.790 52.790 54.046 -1.256 19438 10024 1 13 . 1 1 32 32 ARG CB C 32 34.650 34.650 32.389 2.261 19438 10025 1 13 . 1 1 32 32 ARG H H 32 9.529 9.529 7.797 1.732 19438 10026 1 13 . 1 1 33 33 SER N N 33 116.150 116.150 119.556 -3.406 19438 10027 1 13 . 1 1 33 33 SER HA H 33 4.819 4.819 5.097 -0.278 19438 10028 1 13 . 1 1 33 33 SER C C 33 174.290 174.290 175.520 -1.230 19438 10029 1 13 . 1 1 33 33 SER CA C 33 58.130 58.130 57.934 0.196 19438 10030 1 13 . 1 1 33 33 SER CB C 33 64.530 64.530 64.352 0.178 19438 10031 1 13 . 1 1 33 33 SER H H 33 8.400 8.400 8.839 -0.439 19438 10032 1 13 . 1 1 34 34 TYR N N 34 122.110 122.110 123.689 -1.579 19438 10033 1 13 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.466 -0.081 19438 10034 1 13 . 1 1 34 34 TYR C C 34 176.280 176.280 176.805 -0.525 19438 10035 1 13 . 1 1 34 34 TYR CA C 34 63.060 63.060 63.543 -0.483 19438 10036 1 13 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.201 0.149 19438 10037 1 13 . 1 1 34 34 TYR H H 34 9.456 9.456 8.615 0.841 19438 10038 1 13 . 1 1 35 35 ASP N N 35 114.640 114.640 118.689 -4.049 19438 10039 1 13 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.219 -0.153 19438 10040 1 13 . 1 1 35 35 ASP C C 35 179.460 179.460 178.566 0.894 19438 10041 1 13 . 1 1 35 35 ASP CA C 35 57.380 57.380 58.192 -0.812 19438 10042 1 13 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.288 -0.448 19438 10043 1 13 . 1 1 35 35 ASP H H 35 8.611 8.611 8.662 -0.051 19438 10044 1 13 . 1 1 36 36 ILE N N 36 120.860 120.860 120.162 0.698 19438 10045 1 13 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.764 0.084 19438 10046 1 13 . 1 1 36 36 ILE C C 36 178.000 178.000 177.361 0.639 19438 10047 1 13 . 1 1 36 36 ILE CA C 36 62.660 62.660 64.038 -1.378 19438 10048 1 13 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.835 -1.135 19438 10049 1 13 . 1 1 36 36 ILE H H 36 7.298 7.298 7.414 -0.116 19438 10050 1 13 . 1 1 37 37 ALA N N 37 123.260 123.260 123.481 -0.221 19438 10051 1 13 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.844 -0.112 19438 10052 1 13 . 1 1 37 37 ALA C C 37 179.720 179.720 178.989 0.731 19438 10053 1 13 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.049 0.671 19438 10054 1 13 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.210 -0.230 19438 10055 1 13 . 1 1 37 37 ALA H H 37 8.906 8.906 8.558 0.348 19438 10056 1 13 . 1 1 38 38 MET N N 38 114.900 114.900 118.183 -3.283 19438 10057 1 13 . 1 1 38 38 MET HA H 38 4.282 4.282 3.933 0.349 19438 10058 1 13 . 1 1 38 38 MET C C 38 178.940 178.940 177.878 1.062 19438 10059 1 13 . 1 1 38 38 MET CA C 38 55.940 55.940 57.949 -2.009 19438 10060 1 13 . 1 1 38 38 MET CB C 38 29.570 29.570 32.146 -2.576 19438 10061 1 13 . 1 1 38 38 MET H H 38 8.237 8.237 8.442 -0.205 19438 10062 1 13 . 1 1 39 39 GLU N N 39 120.020 120.020 120.392 -0.372 19438 10063 1 13 . 1 1 39 39 GLU HA H 39 4.101 4.101 3.976 0.125 19438 10064 1 13 . 1 1 39 39 GLU C C 39 180.880 180.880 179.009 1.871 19438 10065 1 13 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.356 0.274 19438 10066 1 13 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.742 -0.692 19438 10067 1 13 . 1 1 39 39 GLU H H 39 7.517 7.517 7.554 -0.037 19438 10068 1 13 . 1 1 40 40 ILE N N 40 122.000 122.000 120.905 1.095 19438 10069 1 13 . 1 1 40 40 ILE HA H 40 3.710 3.710 3.929 -0.219 19438 10070 1 13 . 1 1 40 40 ILE C C 40 177.890 177.890 177.398 0.492 19438 10071 1 13 . 1 1 40 40 ILE CA C 40 65.240 65.240 63.632 1.608 19438 10072 1 13 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.145 -1.245 19438 10073 1 13 . 1 1 40 40 ILE H H 40 8.220 8.220 8.250 -0.030 19438 10074 1 13 . 1 1 41 41 VAL N N 41 120.760 120.760 120.383 0.377 19438 10075 1 13 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.436 -0.050 19438 10076 1 13 . 1 1 41 41 VAL C C 41 179.090 179.090 177.487 1.603 19438 10077 1 13 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.309 0.551 19438 10078 1 13 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.174 0.156 19438 10079 1 13 . 1 1 41 41 VAL H H 41 8.737 8.737 8.436 0.301 19438 10080 1 13 . 1 1 42 42 ASN N N 42 119.950 119.950 118.368 1.582 19438 10081 1 13 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.457 0.150 19438 10082 1 13 . 1 1 42 42 ASN C C 42 178.080 178.080 177.714 0.366 19438 10083 1 13 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.359 -0.479 19438 10084 1 13 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.467 -0.977 19438 10085 1 13 . 1 1 42 42 ASN H H 42 8.542 8.542 8.506 0.036 19438 10086 1 13 . 1 1 43 43 GLY N N 43 112.070 112.070 108.955 3.115 19438 10087 1 13 . 1 1 43 43 GLY C C 43 176.070 176.070 176.214 -0.144 19438 10088 1 13 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.112 0.478 19438 10089 1 13 . 1 1 43 43 GLY H H 43 8.387 8.387 8.065 0.322 19438 10090 1 13 . 1 1 44 44 VAL N N 44 122.900 122.900 122.470 0.430 19438 10091 1 13 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.486 0.041 19438 10092 1 13 . 1 1 44 44 VAL C C 44 176.700 176.700 177.046 -0.346 19438 10093 1 13 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.665 0.175 19438 10094 1 13 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.465 -0.215 19438 10095 1 13 . 1 1 44 44 VAL H H 44 9.078 9.078 8.228 0.850 19438 10096 1 13 . 1 1 45 45 ASP N N 45 119.070 119.070 119.664 -0.594 19438 10097 1 13 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.283 -0.091 19438 10098 1 13 . 1 1 45 45 ASP C C 45 176.540 176.540 178.353 -1.813 19438 10099 1 13 . 1 1 45 45 ASP CA C 45 58.490 58.490 58.192 0.298 19438 10100 1 13 . 1 1 45 45 ASP CB C 45 42.940 42.940 40.939 2.001 19438 10101 1 13 . 1 1 45 45 ASP H H 45 7.745 7.745 8.486 -0.741 19438 10102 1 13 . 1 1 46 46 ARG N N 46 115.750 115.750 119.589 -3.839 19438 10103 1 13 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.137 -0.143 19438 10104 1 13 . 1 1 46 46 ARG C C 46 179.760 179.760 179.010 0.750 19438 10105 1 13 . 1 1 46 46 ARG CA C 46 59.630 59.630 59.394 0.236 19438 10106 1 13 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.316 -0.126 19438 10107 1 13 . 1 1 46 46 ARG H H 46 7.557 7.557 7.907 -0.350 19438 10108 1 13 . 1 1 47 47 VAL N N 47 118.740 118.740 119.852 -1.112 19438 10109 1 13 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.832 0.080 19438 10110 1 13 . 1 1 47 47 VAL C C 47 179.150 179.150 178.185 0.965 19438 10111 1 13 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.872 -0.832 19438 10112 1 13 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.744 0.026 19438 10113 1 13 . 1 1 47 47 VAL H H 47 8.187 8.187 7.818 0.369 19438 10114 1 13 . 1 1 48 48 ILE N N 48 122.340 122.340 121.132 1.208 19438 10115 1 13 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.498 0.199 19438 10116 1 13 . 1 1 48 48 ILE C C 48 178.130 178.130 178.073 0.057 19438 10117 1 13 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.860 0.780 19438 10118 1 13 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.314 -0.684 19438 10119 1 13 . 1 1 48 48 ILE H H 48 8.786 8.786 8.469 0.317 19438 10120 1 13 . 1 1 49 49 LYS N N 49 116.860 116.860 119.127 -2.267 19438 10121 1 13 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.115 -0.056 19438 10122 1 13 . 1 1 49 49 LYS C C 49 178.120 178.120 178.636 -0.516 19438 10123 1 13 . 1 1 49 49 LYS CA C 49 60.270 60.270 59.579 0.691 19438 10124 1 13 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.419 0.681 19438 10125 1 13 . 1 1 49 49 LYS H H 49 7.785 7.785 8.360 -0.575 19438 10126 1 13 . 1 1 50 50 ALA N N 50 117.520 117.520 119.439 -1.919 19438 10127 1 13 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.508 -0.152 19438 10128 1 13 . 1 1 50 50 ALA C C 50 179.940 179.940 179.612 0.328 19438 10129 1 13 . 1 1 50 50 ALA CA C 50 53.960 53.960 53.974 -0.014 19438 10130 1 13 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.589 -0.229 19438 10131 1 13 . 1 1 50 50 ALA H H 50 7.740 7.740 7.906 -0.166 19438 10132 1 13 . 1 1 51 51 SER N N 51 111.860 111.860 114.549 -2.689 19438 10133 1 13 . 1 1 51 51 SER HA H 51 4.287 4.287 4.489 -0.202 19438 10134 1 13 . 1 1 51 51 SER C C 51 172.840 172.840 174.160 -1.320 19438 10135 1 13 . 1 1 51 51 SER CA C 51 60.610 60.610 60.581 0.028 19438 10136 1 13 . 1 1 51 51 SER CB C 51 64.500 64.500 64.841 -0.341 19438 10137 1 13 . 1 1 51 51 SER H H 51 7.957 7.957 8.354 -0.397 19438 10138 1 13 . 1 1 52 52 PHE N N 52 116.210 116.210 117.244 -1.034 19438 10139 1 13 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.648 0.129 19438 10140 1 13 . 1 1 52 52 PHE C C 52 174.210 174.210 174.579 -0.369 19438 10141 1 13 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.752 -0.462 19438 10142 1 13 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.450 1.130 19438 10143 1 13 . 1 1 52 52 PHE H H 52 7.901 7.901 7.962 -0.061 19438 10144 1 13 . 1 1 53 53 ASN N N 53 117.890 117.890 121.435 -3.545 19438 10145 1 13 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.956 -0.054 19438 10146 1 13 . 1 1 53 53 ASN C C 53 175.120 175.120 173.658 1.462 19438 10147 1 13 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.124 1.826 19438 10148 1 13 . 1 1 53 53 ASN CB C 53 37.550 37.550 39.969 -2.420 19438 10149 1 13 . 1 1 53 53 ASN H H 53 8.205 8.205 9.050 -0.845 19438 10150 1 13 . 1 1 54 54 ALA N N 54 125.300 125.300 127.891 -2.591 19438 10151 1 13 . 1 1 54 54 ALA HA H 54 5.441 5.441 4.770 0.671 19438 10152 1 13 . 1 1 54 54 ALA C C 54 176.800 176.800 176.275 0.525 19438 10153 1 13 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.819 0.741 19438 10154 1 13 . 1 1 54 54 ALA CB C 54 24.080 24.080 21.543 2.537 19438 10155 1 13 . 1 1 54 54 ALA H H 54 8.246 8.246 8.456 -0.210 19438 10156 1 13 . 1 1 55 55 SER N N 55 115.850 115.850 117.582 -1.732 19438 10157 1 13 . 1 1 55 55 SER HA H 55 4.789 4.789 4.828 -0.039 19438 10158 1 13 . 1 1 55 55 SER C C 55 172.830 172.830 172.984 -0.154 19438 10159 1 13 . 1 1 55 55 SER CA C 55 57.200 57.200 57.231 -0.031 19438 10160 1 13 . 1 1 55 55 SER CB C 55 65.460 65.460 64.350 1.110 19438 10161 1 13 . 1 1 55 55 SER H H 55 8.606 8.606 8.589 0.017 19438 10162 1 13 . 1 1 56 56 VAL N N 56 121.700 121.700 125.704 -4.004 19438 10163 1 13 . 1 1 56 56 VAL HA H 56 4.794 4.794 3.918 0.876 19438 10164 1 13 . 1 1 56 56 VAL C C 56 173.160 173.160 174.400 -1.240 19438 10165 1 13 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.829 -0.819 19438 10166 1 13 . 1 1 56 56 VAL CB C 56 35.570 35.570 32.521 3.049 19438 10167 1 13 . 1 1 56 56 VAL H H 56 8.648 8.648 8.666 -0.018 19438 10168 1 13 . 1 1 57 57 GLU N N 57 126.130 126.130 129.720 -3.590 19438 10169 1 13 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.526 -0.014 19438 10170 1 13 . 1 1 57 57 GLU C C 57 174.090 174.090 174.716 -0.626 19438 10171 1 13 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.807 -0.257 19438 10172 1 13 . 1 1 57 57 GLU CB C 57 33.910 33.910 32.370 1.540 19438 10173 1 13 . 1 1 57 57 GLU H H 57 8.122 8.122 8.137 -0.015 19438 10174 1 13 . 1 1 58 58 GLU N N 58 124.740 124.740 124.325 0.415 19438 10175 1 13 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.829 -0.142 19438 10176 1 13 . 1 1 58 58 GLU C C 58 175.410 175.410 175.989 -0.579 19438 10177 1 13 . 1 1 58 58 GLU CA C 58 55.990 55.990 56.457 -0.467 19438 10178 1 13 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.600 -0.270 19438 10179 1 13 . 1 1 58 58 GLU H H 58 8.610 8.610 8.662 -0.052 19438 10180 1 13 . 1 1 59 59 LEU N N 59 126.780 126.780 124.345 2.435 19438 10181 1 13 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.672 0.039 19438 10182 1 13 . 1 1 59 59 LEU C C 59 175.970 175.970 176.022 -0.052 19438 10183 1 13 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.610 0.170 19438 10184 1 13 . 1 1 59 59 LEU CB C 59 45.320 45.320 46.258 -0.938 19438 10185 1 13 . 1 1 59 59 LEU H H 59 8.259 8.259 9.004 -0.745 19438 10186 1 13 . 1 1 60 60 GLU N N 60 119.810 119.810 119.838 -0.028 19438 10187 1 13 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.401 -0.053 19438 10188 1 13 . 1 1 60 60 GLU C C 60 177.560 177.560 176.585 0.975 19438 10189 1 13 . 1 1 60 60 GLU CA C 60 57.340 57.340 55.651 1.689 19438 10190 1 13 . 1 1 60 60 GLU CB C 60 30.260 30.260 30.676 -0.416 19438 10191 1 13 . 1 1 60 60 GLU H H 60 8.258 8.258 8.513 -0.255 19438 10192 1 13 . 1 1 61 61 GLY N N 61 117.720 117.720 110.847 6.873 19438 10193 1 13 . 1 1 61 61 GLY C C 61 174.320 174.320 173.313 1.007 19438 10194 1 13 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.613 -0.043 19438 10195 1 13 . 1 1 61 61 GLY H H 61 8.726 8.726 8.612 0.114 19438 10196 1 13 . 1 1 62 62 GLU N N 62 121.700 121.700 121.661 0.039 19438 10197 1 13 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.357 0.174 19438 10198 1 13 . 1 1 62 62 GLU C C 62 177.690 177.690 176.859 0.831 19438 10199 1 13 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.024 -0.474 19438 10200 1 13 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.450 0.851 19438 10201 1 13 . 1 1 62 62 GLU H H 62 9.337 9.337 8.360 0.977 19438 10202 1 13 . 1 1 63 63 ASP N N 63 120.760 120.760 123.501 -2.741 19438 10203 1 13 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.250 0.080 19438 10204 1 13 . 1 1 63 63 ASP C C 63 178.080 178.080 175.418 2.662 19438 10205 1 13 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.291 0.639 19438 10206 1 13 . 1 1 63 63 ASP CB C 63 40.770 40.770 39.843 0.927 19438 10207 1 13 . 1 1 63 63 ASP H H 63 8.632 8.632 8.994 -0.362 19438 10208 1 13 . 1 1 64 64 CYS N N 64 113.520 113.520 120.751 -7.231 19438 10209 1 13 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.560 -0.128 19438 10210 1 13 . 1 1 64 64 CYS C C 64 173.700 173.700 174.143 -0.443 19438 10211 1 13 . 1 1 64 64 CYS CA C 64 57.170 57.170 57.371 -0.201 19438 10212 1 13 . 1 1 64 64 CYS CB C 64 41.210 41.210 28.174 13.036 19438 10213 1 13 . 1 1 64 64 CYS H H 64 7.962 7.962 8.187 -0.225 19438 10214 1 13 . 1 1 65 65 ASP N N 65 120.200 120.200 122.929 -2.729 19438 10215 1 13 . 1 1 65 65 ASP HA H 65 5.190 5.190 4.785 0.405 19438 10216 1 13 . 1 1 65 65 ASP C C 65 176.540 176.540 176.538 0.002 19438 10217 1 13 . 1 1 65 65 ASP CA C 65 54.310 54.310 55.617 -1.307 19438 10218 1 13 . 1 1 65 65 ASP CB C 65 41.150 41.150 41.494 -0.344 19438 10219 1 13 . 1 1 65 65 ASP H H 65 7.936 7.936 8.312 -0.376 19438 10220 1 13 . 1 1 66 66 VAL N N 66 122.070 122.070 121.848 0.222 19438 10221 1 13 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.196 0.071 19438 10222 1 13 . 1 1 66 66 VAL C C 66 176.000 176.000 175.746 0.254 19438 10223 1 13 . 1 1 66 66 VAL CA C 66 63.190 63.190 62.861 0.329 19438 10224 1 13 . 1 1 66 66 VAL CB C 66 32.430 32.430 32.834 -0.404 19438 10225 1 13 . 1 1 66 66 VAL H H 66 9.431 9.431 9.126 0.305 19438 10226 1 13 . 1 1 67 67 LEU N N 67 119.700 119.700 120.290 -0.590 19438 10227 1 13 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.739 -0.100 19438 10228 1 13 . 1 1 67 67 LEU C C 67 174.400 174.400 173.597 0.803 19438 10229 1 13 . 1 1 67 67 LEU CA C 67 55.100 55.100 54.730 0.370 19438 10230 1 13 . 1 1 67 67 LEU CB C 67 46.020 46.020 45.959 0.061 19438 10231 1 13 . 1 1 67 67 LEU H H 67 7.625 7.625 7.570 0.055 19438 10232 1 13 . 1 1 68 68 TYR N N 68 126.330 126.330 125.969 0.361 19438 10233 1 13 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.580 0.270 19438 10234 1 13 . 1 1 68 68 TYR C C 68 173.460 173.460 173.666 -0.206 19438 10235 1 13 . 1 1 68 68 TYR CA C 68 54.660 54.660 56.094 -1.434 19438 10236 1 13 . 1 1 68 68 TYR CB C 68 38.140 38.140 42.479 -4.339 19438 10237 1 13 . 1 1 68 68 TYR H H 68 9.086 9.086 8.845 0.241 19438 10238 1 13 . 1 1 69 69 ARG N N 69 127.440 127.440 126.486 0.954 19438 10239 1 13 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.377 -0.517 19438 10240 1 13 . 1 1 69 69 ARG C C 69 173.030 173.030 174.407 -1.377 19438 10241 1 13 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.611 -0.181 19438 10242 1 13 . 1 1 69 69 ARG CB C 69 35.030 35.030 33.500 1.530 19438 10243 1 13 . 1 1 69 69 ARG H H 69 9.569 9.569 9.432 0.137 19438 10244 1 13 . 1 1 70 70 LYS N N 70 122.850 122.850 124.942 -2.092 19438 10245 1 13 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.488 -0.483 19438 10246 1 13 . 1 1 70 70 LYS C C 70 175.830 175.830 175.548 0.282 19438 10247 1 13 . 1 1 70 70 LYS CA C 70 54.690 54.690 54.233 0.456 19438 10248 1 13 . 1 1 70 70 LYS CB C 70 36.040 36.040 33.474 2.566 19438 10249 1 13 . 1 1 70 70 LYS H H 70 8.612 8.612 8.991 -0.379 19438 10250 1 13 . 1 1 71 71 TYR N N 71 129.420 129.420 126.612 2.808 19438 10251 1 13 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.164 0.138 19438 10252 1 13 . 1 1 71 71 TYR C C 71 175.710 175.710 176.052 -0.342 19438 10253 1 13 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.845 0.115 19438 10254 1 13 . 1 1 71 71 TYR CB C 71 40.330 40.330 39.508 0.822 19438 10255 1 13 . 1 1 71 71 TYR H H 71 9.762 9.762 9.405 0.357 19438 10256 1 13 . 1 1 72 72 THR N N 72 119.820 119.820 122.257 -2.437 19438 10257 1 13 . 1 1 72 72 THR HA H 72 4.707 4.707 4.863 -0.156 19438 10258 1 13 . 1 1 72 72 THR C C 72 173.860 173.860 173.446 0.414 19438 10259 1 13 . 1 1 72 72 THR CA C 72 63.250 63.250 62.680 0.570 19438 10260 1 13 . 1 1 72 72 THR CB C 72 69.370 69.370 68.838 0.532 19438 10261 1 13 . 1 1 72 72 THR H H 72 8.845 8.845 9.209 -0.364 19438 10262 1 13 . 1 1 73 73 LEU N N 73 125.420 125.420 127.706 -2.286 19438 10263 1 13 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.534 -0.405 19438 10264 1 13 . 1 1 73 73 LEU C C 73 175.760 175.760 175.907 -0.147 19438 10265 1 13 . 1 1 73 73 LEU CA C 73 54.080 54.080 52.792 1.288 19438 10266 1 13 . 1 1 73 73 LEU CB C 73 45.350 45.350 44.635 0.715 19438 10267 1 13 . 1 1 73 73 LEU H H 73 8.929 8.929 9.483 -0.554 19438 10268 1 13 . 1 1 74 74 GLU N N 74 120.090 120.090 119.670 0.420 19438 10269 1 13 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.574 -0.360 19438 10270 1 13 . 1 1 74 74 GLU C C 74 175.400 175.400 175.037 0.363 19438 10271 1 13 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.316 0.424 19438 10272 1 13 . 1 1 74 74 GLU CB C 74 33.040 33.040 34.279 -1.239 19438 10273 1 13 . 1 1 74 74 GLU H H 74 8.311 8.311 8.878 -0.567 19438 10274 1 13 . 1 1 75 75 LYS N N 75 124.230 124.230 122.991 1.239 19438 10275 1 13 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.721 -0.248 19438 10276 1 13 . 1 1 75 75 LYS C C 75 175.380 175.380 174.957 0.423 19438 10277 1 13 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.425 2.635 19438 10278 1 13 . 1 1 75 75 LYS CB C 75 35.740 35.740 36.181 -0.441 19438 10279 1 13 . 1 1 75 75 LYS H H 75 8.691 8.691 9.019 -0.328 19438 10280 1 13 . 1 1 76 76 GLU N N 76 127.760 127.760 120.584 7.176 19438 10281 1 13 . 1 1 76 76 GLU HA H 76 3.903 3.903 4.102 -0.199 19438 10282 1 13 . 1 1 76 76 GLU C C 76 176.190 176.190 177.144 -0.954 19438 10283 1 13 . 1 1 76 76 GLU CA C 76 57.450 57.450 56.848 0.602 19438 10284 1 13 . 1 1 76 76 GLU CB C 76 27.830 27.830 26.802 1.028 19438 10285 1 13 . 1 1 76 76 GLU H H 76 9.556 9.556 8.780 0.776 19438 10286 1 13 . 1 1 77 77 GLY N N 77 106.560 106.560 112.886 -6.326 19438 10287 1 13 . 1 1 77 77 GLY C C 77 174.320 174.320 173.601 0.719 19438 10288 1 13 . 1 1 77 77 GLY CA C 77 45.640 45.640 45.008 0.632 19438 10289 1 13 . 1 1 77 77 GLY H H 77 8.928 8.928 8.455 0.473 19438 10290 1 13 . 1 1 78 78 LYS N N 78 121.600 121.600 120.183 1.417 19438 10291 1 13 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.640 -0.055 19438 10292 1 13 . 1 1 78 78 LYS C C 78 175.240 175.240 174.386 0.854 19438 10293 1 13 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.334 0.046 19438 10294 1 13 . 1 1 78 78 LYS CB C 78 33.490 33.490 35.781 -2.291 19438 10295 1 13 . 1 1 78 78 LYS H H 78 8.015 8.015 7.804 0.211 19438 10296 1 13 . 1 1 79 79 LYS N N 79 120.990 120.990 121.710 -0.720 19438 10297 1 13 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.088 0.111 19438 10298 1 13 . 1 1 79 79 LYS C C 79 176.150 176.150 174.575 1.575 19438 10299 1 13 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.316 0.754 19438 10300 1 13 . 1 1 79 79 LYS CB C 79 35.080 35.080 36.081 -1.001 19438 10301 1 13 . 1 1 79 79 LYS H H 79 8.438 8.438 8.515 -0.077 19438 10302 1 13 . 1 1 80 80 GLY N N 80 107.840 107.840 108.792 -0.952 19438 10303 1 13 . 1 1 80 80 GLY C C 80 170.430 170.430 171.714 -1.284 19438 10304 1 13 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.427 -0.167 19438 10305 1 13 . 1 1 80 80 GLY H H 80 8.391 8.391 8.446 -0.055 19438 10306 1 13 . 1 1 81 81 ILE N N 81 120.670 120.670 118.712 1.958 19438 10307 1 13 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.419 -0.137 19438 10308 1 13 . 1 1 81 81 ILE C C 81 175.210 175.210 174.601 0.609 19438 10309 1 13 . 1 1 81 81 ILE CA C 81 58.640 58.640 59.597 -0.957 19438 10310 1 13 . 1 1 81 81 ILE CB C 81 42.420 42.420 42.502 -0.082 19438 10311 1 13 . 1 1 81 81 ILE H H 81 8.623 8.623 9.180 -0.557 19438 10312 1 13 . 1 1 82 82 VAL N N 82 121.970 121.970 124.187 -2.217 19438 10313 1 13 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.732 -0.018 19438 10314 1 13 . 1 1 82 82 VAL C C 82 174.230 174.230 174.986 -0.756 19438 10315 1 13 . 1 1 82 82 VAL CA C 82 61.010 61.010 60.716 0.294 19438 10316 1 13 . 1 1 82 82 VAL CB C 82 35.260 35.260 32.658 2.602 19438 10317 1 13 . 1 1 82 82 VAL H H 82 8.967 8.967 9.122 -0.155 19438 10318 1 13 . 1 1 83 83 HIS N N 83 129.690 129.690 128.197 1.493 19438 10319 1 13 . 1 1 83 83 HIS HA H 83 5.219 5.219 5.011 0.208 19438 10320 1 13 . 1 1 83 83 HIS C C 83 174.960 174.960 174.066 0.894 19438 10321 1 13 . 1 1 83 83 HIS CA C 83 55.440 55.440 55.375 0.065 19438 10322 1 13 . 1 1 83 83 HIS CB C 83 32.240 32.240 30.319 1.921 19438 10323 1 13 . 1 1 83 83 HIS H H 83 8.960 8.960 9.455 -0.495 19438 10324 1 13 . 1 1 84 84 VAL N N 84 125.620 125.620 127.032 -1.412 19438 10325 1 13 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.526 0.600 19438 10326 1 13 . 1 1 84 84 VAL C C 84 174.590 174.590 174.399 0.191 19438 10327 1 13 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.108 1.121 19438 10328 1 13 . 1 1 84 84 VAL CB C 84 34.020 34.020 31.786 2.234 19438 10329 1 13 . 1 1 84 84 VAL H H 84 9.834 9.834 9.193 0.641 19438 10330 1 13 . 1 1 85 85 LYS N N 85 125.370 125.370 126.841 -1.471 19438 10331 1 13 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.278 0.186 19438 10332 1 13 . 1 1 85 85 LYS C C 85 174.890 174.890 174.670 0.220 19438 10333 1 13 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.751 0.459 19438 10334 1 13 . 1 1 85 85 LYS CB C 85 36.430 36.430 36.015 0.415 19438 10335 1 13 . 1 1 85 85 LYS H H 85 9.517 9.517 9.218 0.299 19438 10336 1 13 . 1 1 86 86 LEU N N 86 123.830 123.830 125.441 -1.611 19438 10337 1 13 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.808 0.340 19438 10338 1 13 . 1 1 86 86 LEU C C 86 174.760 174.760 175.936 -1.176 19438 10339 1 13 . 1 1 86 86 LEU CA C 86 54.210 54.210 54.292 -0.082 19438 10340 1 13 . 1 1 86 86 LEU CB C 86 44.830 44.830 42.716 2.114 19438 10341 1 13 . 1 1 86 86 LEU H H 86 8.400 8.400 9.247 -0.847 19438 10342 1 13 . 1 1 87 87 ARG N N 87 128.610 128.610 123.466 5.144 19438 10343 1 13 . 1 1 87 87 ARG HA H 87 5.473 5.473 5.029 0.444 19438 10344 1 13 . 1 1 87 87 ARG C C 87 176.130 176.130 175.336 0.794 19438 10345 1 13 . 1 1 87 87 ARG CA C 87 54.970 54.970 53.758 1.212 19438 10346 1 13 . 1 1 87 87 ARG CB C 87 34.230 34.230 32.602 1.627 19438 10347 1 13 . 1 1 87 87 ARG H H 87 9.647 9.647 9.248 0.399 19438 10348 1 13 . 1 1 88 88 LYS N N 88 122.810 122.810 121.942 0.868 19438 10349 1 13 . 1 1 88 88 LYS HA H 88 4.138 4.138 3.786 0.352 19438 10350 1 13 . 1 1 88 88 LYS C C 88 174.890 174.890 175.411 -0.521 19438 10351 1 13 . 1 1 88 88 LYS CA C 88 56.330 56.330 55.092 1.238 19438 10352 1 13 . 1 1 88 88 LYS CB C 88 34.310 34.310 31.248 3.062 19438 10353 1 13 . 1 1 88 88 LYS H H 88 8.510 8.510 7.961 0.549 19438 10354 1 13 . 1 1 89 89 ILE N N 89 120.880 120.880 128.936 -8.056 19438 10355 1 13 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.179 0.452 19438 10356 1 13 . 1 1 89 89 ILE C C 89 176.400 176.400 174.607 1.793 19438 10357 1 13 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.404 -0.734 19438 10358 1 13 . 1 1 89 89 ILE CB C 89 36.720 36.720 38.151 -1.431 19438 10359 1 13 . 1 1 89 89 ILE H H 89 7.470 7.470 7.964 -0.494 19438 10360 1 13 . 1 1 90 90 THR N N 90 116.610 116.610 121.754 -5.144 19438 10361 1 13 . 1 1 90 90 THR HA H 90 4.700 4.700 4.650 0.050 19438 10362 1 13 . 1 1 90 90 THR CA C 90 59.100 59.100 60.222 -1.122 19438 10363 1 13 . 1 1 90 90 THR CB C 90 72.600 72.600 71.169 1.431 19438 10364 1 13 . 1 1 90 90 THR H H 90 7.701 7.701 7.983 -0.282 19438 10365 1 13 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.225 -0.195 19438 10366 1 13 . 1 1 91 91 GLU C C 91 177.100 177.100 176.436 0.664 19438 10367 1 13 . 1 1 91 91 GLU CA C 91 59.640 59.640 58.013 1.627 19438 10368 1 13 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.307 -0.257 19438 10369 1 13 . 1 1 92 92 ASN N N 92 113.650 113.650 118.152 -4.502 19438 10370 1 13 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.663 0.036 19438 10371 1 13 . 1 1 92 92 ASN C C 92 174.100 174.100 174.868 -0.768 19438 10372 1 13 . 1 1 92 92 ASN CA C 92 53.490 53.490 53.244 0.246 19438 10373 1 13 . 1 1 92 92 ASN CB C 92 39.270 39.270 39.967 -0.697 19438 10374 1 13 . 1 1 92 92 ASN H H 92 7.915 7.915 7.675 0.240 19438 10375 1 13 . 1 1 93 93 CYS N N 93 120.190 120.190 122.304 -2.114 19438 10376 1 13 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.959 0.117 19438 10377 1 13 . 1 1 93 93 CYS CA C 93 52.610 52.610 56.399 -3.789 19438 10378 1 13 . 1 1 93 93 CYS CB C 93 42.090 42.090 27.650 14.440 19438 10379 1 13 . 1 1 93 93 CYS H H 93 7.514 7.514 8.145 -0.631 19438 10380 1 13 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.790 0.000 19438 10381 1 13 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.560 -0.060 19438 10382 1 13 . 1 1 95 95 PRO C C 95 177.770 177.770 175.802 1.968 19438 10383 1 13 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.370 0.370 19438 10384 1 13 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.484 -0.384 19438 10385 1 13 . 1 1 96 96 VAL N N 96 123.600 123.600 119.242 4.358 19438 10386 1 13 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.282 -0.335 19438 10387 1 13 . 1 1 96 96 VAL C C 96 175.780 175.780 175.729 0.051 19438 10388 1 13 . 1 1 96 96 VAL CA C 96 62.100 62.100 60.837 1.263 19438 10389 1 13 . 1 1 96 96 VAL CB C 96 32.580 32.580 33.168 -0.588 19438 10390 1 13 . 1 1 96 96 VAL H H 96 9.071 9.071 8.383 0.688 19438 10391 1 13 . 1 1 97 97 ASP N N 97 125.400 125.400 122.158 3.242 19438 10392 1 13 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.745 -0.075 19438 10393 1 13 . 1 1 97 97 ASP C C 97 175.410 175.410 175.253 0.157 19438 10394 1 13 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.110 0.900 19438 10395 1 13 . 1 1 97 97 ASP CB C 97 41.580 41.580 41.757 -0.177 19438 10396 1 13 . 1 1 97 97 ASP H H 97 8.313 8.313 8.485 -0.172 19438 10397 1 13 . 1 1 98 98 GLY N N 98 108.310 108.310 111.136 -2.826 19438 10398 1 13 . 1 1 98 98 GLY C C 98 173.140 173.140 173.050 0.090 19438 10399 1 13 . 1 1 98 98 GLY CA C 98 45.270 45.270 44.284 0.986 19438 10400 1 13 . 1 1 98 98 GLY H H 98 7.838 7.838 8.325 -0.487 19438 10401 1 13 . 1 1 99 99 ASN N N 99 120.050 120.050 118.953 1.097 19438 10402 1 13 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.662 0.520 19438 10403 1 13 . 1 1 99 99 ASN C C 99 174.700 174.700 175.226 -0.526 19438 10404 1 13 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.298 -0.178 19438 10405 1 13 . 1 1 99 99 ASN CB C 99 39.360 39.360 39.758 -0.398 19438 10406 1 13 . 1 1 99 99 ASN H H 99 8.685 8.685 8.511 0.174 19438 10407 1 13 . 1 1 100 100 ARG N N 100 121.100 121.100 123.474 -2.374 19438 10408 1 13 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.385 0.524 19438 10409 1 13 . 1 1 100 100 ARG C C 100 176.930 176.930 175.925 1.005 19438 10410 1 13 . 1 1 100 100 ARG CA C 100 55.810 55.810 54.819 0.991 19438 10411 1 13 . 1 1 100 100 ARG CB C 100 31.710 31.710 28.335 3.375 19438 10412 1 13 . 1 1 100 100 ARG H H 100 8.502 8.502 8.446 0.056 19438 10413 1 13 . 1 1 101 101 CYS N N 101 121.180 121.180 125.880 -4.700 19438 10414 1 13 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.463 0.243 19438 10415 1 13 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.342 -3.072 19438 10416 1 13 . 1 1 101 101 CYS H H 101 8.607 8.607 8.395 0.212 19438 10417 1 13 . 1 1 102 102 SER HA H 102 4.565 4.565 4.464 0.101 19438 10418 1 13 . 1 1 102 102 SER C C 102 174.220 174.220 174.060 0.160 19438 10419 1 13 . 1 1 102 102 SER CA C 102 57.900 57.900 58.075 -0.175 19438 10420 1 13 . 1 1 102 102 SER CB C 102 63.700 63.700 62.371 1.329 19438 10421 1 13 . 1 1 103 103 VAL N N 103 122.910 122.910 124.150 -1.240 19438 10422 1 13 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.132 0.090 19438 10423 1 13 . 1 1 103 103 VAL C C 103 175.070 175.070 175.409 -0.339 19438 10424 1 13 . 1 1 103 103 VAL CA C 103 62.440 62.440 61.572 0.868 19438 10425 1 13 . 1 1 103 103 VAL H H 103 8.332 8.332 8.014 0.318 19438 10426 1 13 . 1 1 104 104 LEU N N 104 125.940 125.940 124.563 1.377 19438 10427 1 13 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.644 -0.231 19438 10428 1 13 . 1 1 104 104 LEU C C 104 177.220 177.220 176.254 0.966 19438 10429 1 13 . 1 1 104 104 LEU CA C 104 55.930 55.930 55.641 0.289 19438 10430 1 13 . 1 1 104 104 LEU CB C 104 42.890 42.890 43.972 -1.082 19438 10431 1 13 . 1 1 104 104 LEU H H 104 8.831 8.831 9.724 -0.893 19438 10432 1 13 . 1 1 105 105 GLU N N 105 120.540 120.540 118.065 2.475 19438 10433 1 13 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.571 -0.160 19438 10434 1 13 . 1 1 105 105 GLU C C 105 175.400 175.400 176.893 -1.493 19438 10435 1 13 . 1 1 105 105 GLU CA C 105 55.890 55.890 54.886 1.004 19438 10436 1 13 . 1 1 105 105 GLU CB C 105 30.460 30.460 32.647 -2.187 19438 10437 1 13 . 1 1 105 105 GLU H H 105 8.070 8.070 7.719 0.351 19438 10438 1 13 . 1 1 106 106 PHE N N 106 124.060 124.060 122.290 1.770 19438 10439 1 13 . 1 1 106 106 PHE HA H 106 4.061 4.061 3.938 0.123 19438 10440 1 13 . 1 1 106 106 PHE C C 106 175.880 175.880 177.110 -1.230 19438 10441 1 13 . 1 1 106 106 PHE CA C 106 62.120 62.120 62.122 -0.002 19438 10442 1 13 . 1 1 106 106 PHE CB C 106 39.670 39.670 38.969 0.701 19438 10443 1 13 . 1 1 106 106 PHE H H 106 8.666 8.666 9.073 -0.407 19438 10444 1 13 . 1 1 107 107 GLU N N 107 117.290 117.290 117.921 -0.631 19438 10445 1 13 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.764 0.122 19438 10446 1 13 . 1 1 107 107 GLU C C 107 178.050 178.050 179.124 -1.074 19438 10447 1 13 . 1 1 107 107 GLU CA C 107 59.360 59.360 59.906 -0.546 19438 10448 1 13 . 1 1 107 107 GLU CB C 107 29.330 29.330 28.997 0.333 19438 10449 1 13 . 1 1 107 107 GLU H H 107 8.932 8.932 8.583 0.349 19438 10450 1 13 . 1 1 108 108 ARG N N 108 117.240 117.240 119.113 -1.873 19438 10451 1 13 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.203 0.105 19438 10452 1 13 . 1 1 108 108 ARG C C 108 177.930 177.930 178.160 -0.230 19438 10453 1 13 . 1 1 108 108 ARG CA C 108 57.120 57.120 57.579 -0.459 19438 10454 1 13 . 1 1 108 108 ARG CB C 108 31.110 31.110 29.927 1.183 19438 10455 1 13 . 1 1 108 108 ARG H H 108 7.533 7.533 7.784 -0.251 19438 10456 1 13 . 1 1 109 109 ASP N N 109 120.040 120.040 121.768 -1.728 19438 10457 1 13 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.357 0.243 19438 10458 1 13 . 1 1 109 109 ASP C C 109 177.980 177.980 178.595 -0.615 19438 10459 1 13 . 1 1 109 109 ASP CA C 109 56.810 56.810 58.255 -1.445 19438 10460 1 13 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.587 0.913 19438 10461 1 13 . 1 1 109 109 ASP H H 109 8.295 8.295 8.024 0.271 19438 10462 1 13 . 1 1 110 110 ILE N N 110 118.710 118.710 120.194 -1.484 19438 10463 1 13 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.614 0.180 19438 10464 1 13 . 1 1 110 110 ILE C C 110 176.740 176.740 176.779 -0.039 19438 10465 1 13 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.088 -1.238 19438 10466 1 13 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.608 -0.578 19438 10467 1 13 . 1 1 110 110 ILE H H 110 8.081 8.081 8.202 -0.121 19438 10468 1 13 . 1 1 111 111 GLU N N 111 121.140 121.140 120.358 0.782 19438 10469 1 13 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.861 0.101 19438 10470 1 13 . 1 1 111 111 GLU C C 111 177.400 177.400 178.609 -1.209 19438 10471 1 13 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.899 -0.299 19438 10472 1 13 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.618 -0.318 19438 10473 1 13 . 1 1 111 111 GLU H H 111 7.558 7.558 7.678 -0.120 19438 10474 1 13 . 1 1 112 112 CYS N N 112 117.380 117.380 118.819 -1.439 19438 10475 1 13 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.177 -0.074 19438 10476 1 13 . 1 1 112 112 CYS C C 112 176.570 176.570 177.179 -0.609 19438 10477 1 13 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.572 -3.282 19438 10478 1 13 . 1 1 112 112 CYS CB C 112 41.910 41.910 25.946 15.964 19438 10479 1 13 . 1 1 112 112 CYS H H 112 7.739 7.739 8.187 -0.448 19438 10480 1 13 . 1 1 113 113 ILE N N 113 118.520 118.520 121.337 -2.817 19438 10481 1 13 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.717 0.116 19438 10482 1 13 . 1 1 113 113 ILE C C 113 177.220 177.220 178.169 -0.949 19438 10483 1 13 . 1 1 113 113 ILE CA C 113 63.410 63.410 64.059 -0.649 19438 10484 1 13 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.833 0.597 19438 10485 1 13 . 1 1 113 113 ILE H H 113 7.682 7.682 8.191 -0.509 19438 10486 1 13 . 1 1 114 114 VAL N N 114 120.390 120.390 120.170 0.220 19438 10487 1 13 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.507 -0.039 19438 10488 1 13 . 1 1 114 114 VAL C C 114 177.970 177.970 177.554 0.416 19438 10489 1 13 . 1 1 114 114 VAL CA C 114 67.960 67.960 67.128 0.832 19438 10490 1 13 . 1 1 114 114 VAL CB C 114 31.730 31.730 31.280 0.450 19438 10491 1 13 . 1 1 114 114 VAL H H 114 7.765 7.765 8.484 -0.719 19438 10492 1 13 . 1 1 115 115 LYS N N 115 118.840 118.840 120.745 -1.905 19438 10493 1 13 . 1 1 115 115 LYS HA H 115 4.129 4.129 3.913 0.216 19438 10494 1 13 . 1 1 115 115 LYS C C 115 178.870 178.870 178.442 0.428 19438 10495 1 13 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.967 -0.667 19438 10496 1 13 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.253 -0.343 19438 10497 1 13 . 1 1 115 115 LYS H H 115 8.314 8.314 8.188 0.126 19438 10498 1 13 . 1 1 116 116 ALA N N 116 121.000 121.000 121.833 -0.833 19438 10499 1 13 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.046 0.180 19438 10500 1 13 . 1 1 116 116 ALA C C 116 181.600 181.600 179.753 1.847 19438 10501 1 13 . 1 1 116 116 ALA CA C 116 55.320 55.320 55.175 0.145 19438 10502 1 13 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.321 0.329 19438 10503 1 13 . 1 1 116 116 ALA H H 116 7.427 7.427 7.903 -0.476 19438 10504 1 13 . 1 1 117 117 ILE N N 117 120.090 120.090 118.325 1.765 19438 10505 1 13 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.692 -0.379 19438 10506 1 13 . 1 1 117 117 ILE C C 117 177.630 177.630 178.052 -0.422 19438 10507 1 13 . 1 1 117 117 ILE CA C 117 66.510 66.510 63.556 2.954 19438 10508 1 13 . 1 1 117 117 ILE CB C 117 37.860 37.860 36.366 1.494 19438 10509 1 13 . 1 1 117 117 ILE H H 117 8.121 8.121 8.078 0.043 19438 10510 1 13 . 1 1 118 118 GLU N N 118 119.300 119.300 119.525 -0.225 19438 10511 1 13 . 1 1 118 118 GLU HA H 118 3.886 3.886 4.072 -0.186 19438 10512 1 13 . 1 1 118 118 GLU C C 118 179.850 179.850 179.730 0.120 19438 10513 1 13 . 1 1 118 118 GLU CA C 118 60.760 60.760 59.449 1.311 19438 10514 1 13 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.196 0.454 19438 10515 1 13 . 1 1 118 118 GLU H H 118 8.657 8.657 8.787 -0.130 19438 10516 1 13 . 1 1 119 119 GLU N N 119 119.080 119.080 120.432 -1.352 19438 10517 1 13 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.159 -0.091 19438 10518 1 13 . 1 1 119 119 GLU C C 119 178.670 178.670 178.742 -0.072 19438 10519 1 13 . 1 1 119 119 GLU CA C 119 59.390 59.390 58.947 0.443 19438 10520 1 13 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.264 0.456 19438 10521 1 13 . 1 1 119 119 GLU H H 119 8.596 8.596 8.508 0.088 19438 10522 1 13 . 1 1 120 120 CYS N N 120 117.950 117.950 120.200 -2.250 19438 10523 1 13 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.387 0.055 19438 10524 1 13 . 1 1 120 120 CYS C C 120 177.280 177.280 177.816 -0.536 19438 10525 1 13 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.518 -4.038 19438 10526 1 13 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.276 13.144 19438 10527 1 13 . 1 1 120 120 CYS H H 120 7.686 7.686 8.341 -0.655 19438 10528 1 13 . 1 1 121 121 LEU N N 121 118.000 118.000 119.504 -1.504 19438 10529 1 13 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.448 -0.427 19438 10530 1 13 . 1 1 121 121 LEU C C 121 179.010 179.010 179.064 -0.054 19438 10531 1 13 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.024 0.646 19438 10532 1 13 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.667 -0.287 19438 10533 1 13 . 1 1 121 121 LEU H H 121 8.194 8.194 8.246 -0.052 19438 10534 1 13 . 1 1 122 122 ALA N N 122 119.940 119.940 121.342 -1.402 19438 10535 1 13 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.143 0.083 19438 10536 1 13 . 1 1 122 122 ALA C C 122 179.040 179.040 178.800 0.240 19438 10537 1 13 . 1 1 122 122 ALA CA C 122 54.160 54.160 54.227 -0.067 19438 10538 1 13 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.602 0.278 19438 10539 1 13 . 1 1 122 122 ALA H H 122 7.974 7.974 7.594 0.380 19438 10540 1 13 . 1 1 123 123 LYS N N 123 117.940 117.940 117.865 0.075 19438 10541 1 13 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.126 0.065 19438 10542 1 13 . 1 1 123 123 LYS C C 123 177.770 177.770 176.755 1.015 19438 10543 1 13 . 1 1 123 123 LYS CA C 123 57.710 57.710 54.842 2.868 19438 10544 1 13 . 1 1 123 123 LYS CB C 123 32.570 32.570 32.118 0.452 19438 10545 1 13 . 1 1 123 123 LYS H H 123 7.774 7.774 7.967 -0.193 19438 10546 1 13 . 1 1 124 124 GLY N N 124 107.510 107.510 107.868 -0.358 19438 10547 1 13 . 1 1 124 124 GLY C C 124 174.290 174.290 174.090 0.200 19438 10548 1 13 . 1 1 124 124 GLY CA C 124 46.060 46.060 44.898 1.162 19438 10549 1 13 . 1 1 124 124 GLY H H 124 8.084 8.084 7.226 0.858 19438 10550 1 13 . 1 1 125 125 GLU N N 125 120.170 120.170 119.389 0.781 19438 10551 1 13 . 1 1 125 125 GLU HA H 125 4.318 4.318 3.671 0.647 19438 10552 1 13 . 1 1 125 125 GLU C C 125 176.940 176.940 174.580 2.360 19438 10553 1 13 . 1 1 125 125 GLU CA C 125 56.780 56.780 56.768 0.012 19438 10554 1 13 . 1 1 125 125 GLU CB C 125 30.760 30.760 28.377 2.383 19438 10555 1 13 . 1 1 125 125 GLU H H 125 7.997 7.997 8.125 -0.128 19438 10556 1 13 . 1 1 126 126 LEU N N 126 122.210 122.210 122.329 -0.119 19438 10557 1 13 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.541 -0.231 19438 10558 1 13 . 1 1 126 126 LEU C C 126 177.320 177.320 174.555 2.765 19438 10559 1 13 . 1 1 126 126 LEU CA C 126 55.940 55.940 53.167 2.772 19438 10560 1 13 . 1 1 126 126 LEU CB C 126 42.540 42.540 45.593 -3.053 19438 10561 1 13 . 1 1 126 126 LEU H H 126 8.218 8.218 7.616 0.602 19438 10562 1 13 . 1 1 127 127 ASN N N 127 119.250 119.250 122.751 -3.501 19438 10563 1 13 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.660 0.034 19438 10564 1 13 . 1 1 127 127 ASN C C 127 175.720 175.720 174.730 0.990 19438 10565 1 13 . 1 1 127 127 ASN CA C 127 53.930 53.930 53.552 0.378 19438 10566 1 13 . 1 1 127 127 ASN CB C 127 38.970 38.970 38.600 0.370 19438 10567 1 13 . 1 1 127 127 ASN H H 127 8.445 8.445 8.572 -0.127 19438 10568 1 13 . 1 1 128 128 SER N N 128 116.060 116.060 118.293 -2.233 19438 10569 1 13 . 1 1 128 128 SER HA H 128 4.373 4.373 4.733 -0.360 19438 10570 1 13 . 1 1 128 128 SER C C 128 174.830 174.830 172.471 2.359 19438 10571 1 13 . 1 1 128 128 SER CA C 128 59.120 59.120 57.025 2.095 19438 10572 1 13 . 1 1 128 128 SER CB C 128 63.830 63.830 64.846 -1.016 19438 10573 1 13 . 1 1 128 128 SER H H 128 8.182 8.182 8.098 0.084 19438 10574 1 13 . 1 1 129 129 LYS N N 129 122.520 122.520 121.003 1.517 19438 10575 1 13 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.776 -0.418 19438 10576 1 13 . 1 1 129 129 LYS C C 129 176.750 176.750 174.427 2.323 19438 10577 1 13 . 1 1 129 129 LYS CA C 129 56.710 56.710 55.721 0.989 19438 10578 1 13 . 1 1 129 129 LYS CB C 129 32.760 32.760 32.521 0.239 19438 10579 1 13 . 1 1 129 129 LYS H H 129 8.154 8.154 8.537 -0.383 19438 10580 1 13 . 1 1 130 130 LEU N N 130 122.340 122.340 119.582 2.758 19438 10581 1 13 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.688 -0.360 19438 10582 1 13 . 1 1 130 130 LEU C C 130 177.430 177.430 175.024 2.406 19438 10583 1 13 . 1 1 130 130 LEU CA C 130 57.430 57.430 53.332 4.098 19438 10584 1 13 . 1 1 130 130 LEU CB C 130 42.380 42.380 43.769 -1.389 19438 10585 1 13 . 1 1 130 130 LEU H H 130 8.070 8.070 7.878 0.192 19438 10586 1 13 . 1 1 131 131 GLU N N 131 121.450 121.450 119.403 2.047 19438 10587 1 13 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.198 0.097 19438 10588 1 13 . 1 1 131 131 GLU C C 131 176.920 176.920 176.180 0.740 19438 10589 1 13 . 1 1 131 131 GLU CA C 131 56.690 56.690 55.139 1.551 19438 10590 1 13 . 1 1 131 131 GLU CB C 131 30.380 30.380 28.748 1.631 19438 10591 1 13 . 1 1 131 131 GLU H H 131 8.250 8.250 8.340 -0.090 19438 10592 1 13 . 1 1 132 132 GLY N N 132 109.900 109.900 111.706 -1.806 19438 10593 1 13 . 1 1 132 132 GLY C C 132 173.770 173.770 174.041 -0.271 19438 10594 1 13 . 1 1 132 132 GLY CA C 132 45.290 45.290 44.945 0.345 19438 10595 1 13 . 1 1 132 132 GLY H H 132 8.334 8.334 8.243 0.091 19438 10596 1 13 . 1 1 133 133 LYS N N 133 121.920 121.920 122.385 -0.465 19438 10597 1 13 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.641 0.023 19438 10598 1 13 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.761 0.389 19438 10599 1 13 . 1 1 133 133 LYS CB C 133 32.710 32.710 33.491 -0.781 19438 10600 1 13 . 1 1 133 133 LYS H H 133 8.037 8.037 8.338 -0.301 19438 10601 1 13 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.518 -0.067 19438 10602 1 13 . 1 1 134 134 PRO C C 134 176.670 176.670 175.796 0.874 19438 10603 1 13 . 1 1 134 134 PRO CA C 134 62.940 62.940 62.806 0.133 19438 10604 1 13 . 1 1 134 134 PRO CB C 134 31.890 31.890 32.329 -0.439 19438 10605 1 13 . 1 1 135 135 ILE N N 135 122.710 122.710 121.470 1.240 19438 10606 1 13 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.309 0.119 19438 10607 1 13 . 1 1 135 135 ILE CA C 135 58.770 58.770 58.469 0.300 19438 10608 1 13 . 1 1 135 135 ILE CB C 135 38.640 38.640 37.585 1.055 19438 10609 1 13 . 1 1 135 135 ILE H H 135 8.227 8.227 8.142 0.085 19438 10610 1 13 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.491 -0.119 19438 10611 1 13 . 1 1 136 136 PRO C C 136 176.330 176.330 176.040 0.290 19438 10612 1 13 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.438 0.812 19438 10613 1 13 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.064 -0.054 19438 10614 1 13 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.783 0.158 19438 10615 1 13 . 1 1 137 137 ASN CA C 137 51.270 51.270 51.920 -0.650 19438 10616 1 13 . 1 1 137 137 ASN CB C 137 38.670 38.670 38.440 0.230 19438 10617 1 13 . 1 1 137 137 ASN H H 137 8.383 8.383 8.550 -0.167 19438 10618 1 13 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.299 0.105 19438 10619 1 13 . 1 1 138 138 PRO C C 138 177.210 177.210 176.220 0.990 19438 10620 1 13 . 1 1 138 138 PRO CA C 138 63.310 63.310 63.965 -0.655 19438 10621 1 13 . 1 1 138 138 PRO CB C 138 32.100 32.100 32.076 0.024 19438 10622 1 13 . 1 1 139 139 LEU N N 139 119.860 119.860 117.090 2.770 19438 10623 1 13 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.031 0.270 19438 10624 1 13 . 1 1 139 139 LEU C C 139 177.640 177.640 175.485 2.155 19438 10625 1 13 . 1 1 139 139 LEU CA C 139 55.610 55.610 55.131 0.479 19438 10626 1 13 . 1 1 139 139 LEU CB C 139 41.540 41.540 40.670 0.870 19438 10627 1 13 . 1 1 139 139 LEU H H 139 8.096 8.096 7.955 0.141 19438 10628 1 13 . 1 1 140 140 LEU N N 140 121.040 121.040 122.371 -1.331 19438 10629 1 13 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.595 -0.280 19438 10630 1 13 . 1 1 140 140 LEU C C 140 177.840 177.840 175.849 1.991 19438 10631 1 13 . 1 1 140 140 LEU CA C 140 55.370 55.370 54.475 0.895 19438 10632 1 13 . 1 1 140 140 LEU CB C 140 42.390 42.390 44.468 -2.078 19438 10633 1 13 . 1 1 140 140 LEU H H 140 7.749 7.749 7.740 0.009 19438 10634 1 13 . 1 1 141 141 GLY N N 141 108.960 108.960 113.054 -4.094 19438 10635 1 13 . 1 1 141 141 GLY C C 141 174.380 174.380 173.843 0.537 19438 10636 1 13 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.487 0.163 19438 10637 1 13 . 1 1 141 141 GLY H H 141 8.231 8.231 7.948 0.283 19438 10638 1 13 . 1 1 142 142 LEU N N 142 121.470 121.470 121.045 0.425 19438 10639 1 13 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.079 0.257 19438 10640 1 13 . 1 1 142 142 LEU C C 142 177.390 177.390 175.802 1.588 19438 10641 1 13 . 1 1 142 142 LEU CA C 142 55.630 55.630 55.216 0.414 19438 10642 1 13 . 1 1 142 142 LEU CB C 142 42.600 42.600 40.948 1.652 19438 10643 1 13 . 1 1 142 142 LEU H H 142 8.004 8.004 8.571 -0.567 19438 10644 1 13 . 1 1 143 143 ASP N N 143 120.770 120.770 120.736 0.034 19438 10645 1 13 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.717 -0.044 19438 10646 1 13 . 1 1 143 143 ASP C C 143 176.870 176.870 175.751 1.119 19438 10647 1 13 . 1 1 143 143 ASP CA C 143 54.400 54.400 54.277 0.123 19438 10648 1 13 . 1 1 143 143 ASP CB C 143 41.170 41.170 41.532 -0.362 19438 10649 1 13 . 1 1 143 143 ASP H H 143 8.380 8.380 8.412 -0.032 19438 10650 1 13 . 1 1 144 144 SER N N 144 116.820 116.820 121.261 -4.441 19438 10651 1 13 . 1 1 144 144 SER HA H 144 4.413 4.413 4.752 -0.339 19438 10652 1 13 . 1 1 144 144 SER C C 144 175.300 175.300 174.019 1.281 19438 10653 1 13 . 1 1 144 144 SER CA C 144 59.190 59.190 58.250 0.940 19438 10654 1 13 . 1 1 144 144 SER CB C 144 63.770 63.770 64.605 -0.835 19438 10655 1 13 . 1 1 144 144 SER H H 144 8.298 8.298 8.288 0.010 19438 10656 1 13 . 1 1 145 145 THR N N 145 114.870 114.870 114.567 0.303 19438 10657 1 13 . 1 1 145 145 THR HA H 145 4.419 4.419 4.520 -0.101 19438 10658 1 13 . 1 1 145 145 THR C C 145 175.070 175.070 173.550 1.520 19438 10659 1 13 . 1 1 145 145 THR CA C 145 62.880 62.880 61.240 1.640 19438 10660 1 13 . 1 1 145 145 THR CB C 145 69.710 69.710 70.339 -0.629 19438 10661 1 13 . 1 1 145 145 THR H H 145 8.208 8.208 8.126 0.082 19438 10662 1 13 . 1 1 146 146 ARG N N 146 122.450 122.450 123.366 -0.916 19438 10663 1 13 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.726 -0.344 19438 10664 1 13 . 1 1 146 146 ARG C C 146 176.570 176.570 174.950 1.620 19438 10665 1 13 . 1 1 146 146 ARG CA C 146 56.350 56.350 56.236 0.114 19438 10666 1 13 . 1 1 146 146 ARG CB C 146 30.620 30.620 30.633 -0.012 19438 10667 1 13 . 1 1 146 146 ARG H H 146 8.122 8.122 8.574 -0.452 19438 10668 1 13 . 1 1 147 147 THR N N 147 113.830 113.830 117.347 -3.517 19438 10669 1 13 . 1 1 147 147 THR HA H 147 4.400 4.400 4.636 -0.236 19438 10670 1 13 . 1 1 147 147 THR C C 147 175.200 175.200 173.806 1.394 19438 10671 1 13 . 1 1 147 147 THR CA C 147 62.110 62.110 61.762 0.348 19438 10672 1 13 . 1 1 147 147 THR CB C 147 69.950 69.950 70.881 -0.931 19438 10673 1 13 . 1 1 147 147 THR H H 147 8.039 8.039 8.259 -0.220 19438 10674 1 14 . 1 1 2 2 LYS N N 2 124.740 124.740 119.313 5.427 19438 10675 1 14 . 1 1 2 2 LYS HA H 2 4.810 4.810 5.091 -0.281 19438 10676 1 14 . 1 1 2 2 LYS C C 2 173.640 173.640 174.335 -0.695 19438 10677 1 14 . 1 1 2 2 LYS CA C 2 53.960 53.960 54.802 -0.842 19438 10678 1 14 . 1 1 2 2 LYS CB C 2 34.850 34.850 35.093 -0.243 19438 10679 1 14 . 1 1 2 2 LYS H H 2 8.620 8.620 8.596 0.024 19438 10680 1 14 . 1 1 3 3 TYR N N 3 114.840 114.840 119.163 -4.323 19438 10681 1 14 . 1 1 3 3 TYR HA H 3 5.252 5.252 4.829 0.423 19438 10682 1 14 . 1 1 3 3 TYR C C 3 174.920 174.920 174.560 0.360 19438 10683 1 14 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.482 -0.122 19438 10684 1 14 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.891 1.279 19438 10685 1 14 . 1 1 3 3 TYR H H 3 8.927 8.927 9.492 -0.565 19438 10686 1 14 . 1 1 4 4 ASP N N 4 119.790 119.790 122.367 -2.577 19438 10687 1 14 . 1 1 4 4 ASP HA H 4 5.479 5.479 5.163 0.316 19438 10688 1 14 . 1 1 4 4 ASP C C 4 175.780 175.780 174.795 0.985 19438 10689 1 14 . 1 1 4 4 ASP CA C 4 52.900 52.900 53.110 -0.210 19438 10690 1 14 . 1 1 4 4 ASP CB C 4 43.970 43.970 43.259 0.711 19438 10691 1 14 . 1 1 4 4 ASP H H 4 9.170 9.170 9.240 -0.070 19438 10692 1 14 . 1 1 5 5 VAL N N 5 122.030 122.030 127.665 -5.635 19438 10693 1 14 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.716 0.006 19438 10694 1 14 . 1 1 5 5 VAL C C 5 174.520 174.520 173.530 0.990 19438 10695 1 14 . 1 1 5 5 VAL CA C 5 62.100 62.100 61.117 0.983 19438 10696 1 14 . 1 1 5 5 VAL CB C 5 31.720 31.720 33.070 -1.350 19438 10697 1 14 . 1 1 5 5 VAL H H 5 8.733 8.733 9.085 -0.352 19438 10698 1 14 . 1 1 6 6 VAL N N 6 128.380 128.380 130.541 -2.161 19438 10699 1 14 . 1 1 6 6 VAL HA H 6 4.646 4.646 5.112 -0.466 19438 10700 1 14 . 1 1 6 6 VAL C C 6 174.330 174.330 173.510 0.820 19438 10701 1 14 . 1 1 6 6 VAL CA C 6 61.750 61.750 59.957 1.793 19438 10702 1 14 . 1 1 6 6 VAL CB C 6 34.060 34.060 33.977 0.083 19438 10703 1 14 . 1 1 6 6 VAL H H 6 9.338 9.338 8.783 0.555 19438 10704 1 14 . 1 1 7 7 ILE N N 7 127.540 127.540 130.851 -3.311 19438 10705 1 14 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.018 0.142 19438 10706 1 14 . 1 1 7 7 ILE C C 7 175.260 175.260 173.826 1.434 19438 10707 1 14 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.989 1.221 19438 10708 1 14 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.205 -0.105 19438 10709 1 14 . 1 1 7 7 ILE H H 7 9.295 9.295 8.965 0.330 19438 10710 1 14 . 1 1 8 8 ILE N N 8 126.500 126.500 129.682 -3.182 19438 10711 1 14 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.724 0.038 19438 10712 1 14 . 1 1 8 8 ILE CA C 8 58.790 58.790 58.024 0.766 19438 10713 1 14 . 1 1 8 8 ILE CB C 8 41.100 41.100 39.504 1.596 19438 10714 1 14 . 1 1 8 8 ILE H H 8 9.573 9.573 9.265 0.308 19438 10715 1 14 . 1 1 9 9 PRO HA H 9 5.325 5.325 4.980 0.345 19438 10716 1 14 . 1 1 9 9 PRO C C 9 174.390 174.390 175.641 -1.251 19438 10717 1 14 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.967 -0.896 19438 10718 1 14 . 1 1 9 9 PRO CB C 9 31.600 31.600 32.209 -0.609 19438 10719 1 14 . 1 1 10 10 GLU N N 10 120.480 120.480 120.537 -0.057 19438 10720 1 14 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.744 0.029 19438 10721 1 14 . 1 1 10 10 GLU C C 10 174.950 174.950 175.216 -0.266 19438 10722 1 14 . 1 1 10 10 GLU CA C 10 55.600 55.600 55.566 0.034 19438 10723 1 14 . 1 1 10 10 GLU CB C 10 33.980 33.980 32.656 1.325 19438 10724 1 14 . 1 1 10 10 GLU H H 10 9.218 9.218 9.279 -0.061 19438 10725 1 14 . 1 1 11 11 SER N N 11 117.470 117.470 120.629 -3.159 19438 10726 1 14 . 1 1 11 11 SER HA H 11 4.686 4.686 4.471 0.215 19438 10727 1 14 . 1 1 11 11 SER C C 11 174.460 174.460 175.046 -0.586 19438 10728 1 14 . 1 1 11 11 SER CA C 11 57.490 57.490 57.540 -0.050 19438 10729 1 14 . 1 1 11 11 SER CB C 11 64.820 64.820 64.285 0.535 19438 10730 1 14 . 1 1 11 11 SER H H 11 8.595 8.595 8.783 -0.188 19438 10731 1 14 . 1 1 12 12 PHE N N 12 122.760 122.760 125.204 -2.444 19438 10732 1 14 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.409 0.262 19438 10733 1 14 . 1 1 12 12 PHE C C 12 175.440 175.440 174.589 0.851 19438 10734 1 14 . 1 1 12 12 PHE CA C 12 58.580 58.580 57.879 0.701 19438 10735 1 14 . 1 1 12 12 PHE CB C 12 39.940 39.940 38.211 1.729 19438 10736 1 14 . 1 1 12 12 PHE H H 12 8.298 8.298 8.189 0.109 19438 10737 1 14 . 1 1 13 13 HIS N N 13 120.600 120.600 124.524 -3.924 19438 10738 1 14 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.790 -0.175 19438 10739 1 14 . 1 1 13 13 HIS C C 13 174.530 174.530 174.448 0.082 19438 10740 1 14 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.041 0.570 19438 10741 1 14 . 1 1 13 13 HIS CB C 13 31.000 31.000 32.410 -1.409 19438 10742 1 14 . 1 1 13 13 HIS H H 13 8.243 8.243 8.228 0.015 19438 10743 1 14 . 1 1 14 14 ARG N N 14 122.290 122.290 124.341 -2.051 19438 10744 1 14 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.382 -0.163 19438 10745 1 14 . 1 1 14 14 ARG C C 14 176.070 176.070 175.348 0.722 19438 10746 1 14 . 1 1 14 14 ARG CA C 14 56.580 56.580 55.804 0.776 19438 10747 1 14 . 1 1 14 14 ARG CB C 14 30.790 30.790 31.079 -0.289 19438 10748 1 14 . 1 1 14 14 ARG H H 14 8.320 8.320 8.347 -0.027 19438 10749 1 14 . 1 1 15 15 PHE N N 15 120.220 120.220 120.945 -0.725 19438 10750 1 14 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.883 -0.187 19438 10751 1 14 . 1 1 15 15 PHE C C 15 175.550 175.550 176.370 -0.820 19438 10752 1 14 . 1 1 15 15 PHE CA C 15 57.630 57.630 58.419 -0.789 19438 10753 1 14 . 1 1 15 15 PHE CB C 15 39.920 39.920 37.589 2.331 19438 10754 1 14 . 1 1 15 15 PHE H H 15 8.409 8.409 8.820 -0.411 19438 10755 1 14 . 1 1 16 16 ASP N N 16 121.370 121.370 126.796 -5.426 19438 10756 1 14 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.481 0.070 19438 10757 1 14 . 1 1 16 16 ASP C C 16 176.590 176.590 176.643 -0.053 19438 10758 1 14 . 1 1 16 16 ASP CA C 16 54.180 54.180 56.203 -2.023 19438 10759 1 14 . 1 1 16 16 ASP CB C 16 41.410 41.410 41.583 -0.173 19438 10760 1 14 . 1 1 16 16 ASP H H 16 8.397 8.397 8.306 0.091 19438 10761 1 14 . 1 1 17 17 LYS N N 17 119.880 119.880 118.777 1.103 19438 10762 1 14 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.389 -0.222 19438 10763 1 14 . 1 1 17 17 LYS C C 17 176.550 176.550 177.156 -0.606 19438 10764 1 14 . 1 1 17 17 LYS CA C 17 57.110 57.110 57.566 -0.456 19438 10765 1 14 . 1 1 17 17 LYS CB C 17 32.420 32.420 33.135 -0.715 19438 10766 1 14 . 1 1 17 17 LYS H H 17 8.188 8.188 8.370 -0.182 19438 10767 1 14 . 1 1 18 18 HIS N N 18 118.390 118.390 116.797 1.593 19438 10768 1 14 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.707 -0.057 19438 10769 1 14 . 1 1 18 18 HIS C C 18 175.020 175.020 174.367 0.653 19438 10770 1 14 . 1 1 18 18 HIS CA C 18 56.260 56.260 56.597 -0.337 19438 10771 1 14 . 1 1 18 18 HIS CB C 18 30.010 30.010 31.358 -1.347 19438 10772 1 14 . 1 1 18 18 HIS H H 18 8.339 8.339 8.430 -0.091 19438 10773 1 14 . 1 1 19 19 ASN N N 19 118.700 118.700 120.435 -1.735 19438 10774 1 14 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.567 0.105 19438 10775 1 14 . 1 1 19 19 ASN C C 19 175.170 175.170 174.470 0.700 19438 10776 1 14 . 1 1 19 19 ASN CA C 19 53.800 53.800 53.349 0.451 19438 10777 1 14 . 1 1 19 19 ASN CB C 19 38.730 38.730 37.846 0.884 19438 10778 1 14 . 1 1 19 19 ASN H H 19 8.287 8.287 8.515 -0.228 19438 10779 1 14 . 1 1 20 20 MET N N 20 120.140 120.140 122.806 -2.666 19438 10780 1 14 . 1 1 20 20 MET HA H 20 4.475 4.475 4.611 -0.136 19438 10781 1 14 . 1 1 20 20 MET C C 20 176.470 176.470 173.410 3.060 19438 10782 1 14 . 1 1 20 20 MET CA C 20 55.640 55.640 56.234 -0.595 19438 10783 1 14 . 1 1 20 20 MET CB C 20 33.500 33.500 33.691 -0.191 19438 10784 1 14 . 1 1 20 20 MET H H 20 8.495 8.495 8.003 0.492 19438 10785 1 14 . 1 1 21 21 GLU N N 21 120.920 120.920 122.653 -1.733 19438 10786 1 14 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.231 -0.030 19438 10787 1 14 . 1 1 21 21 GLU C C 21 176.380 176.380 173.179 3.201 19438 10788 1 14 . 1 1 21 21 GLU CA C 21 57.330 57.330 55.983 1.347 19438 10789 1 14 . 1 1 21 21 GLU CB C 21 30.080 30.080 31.965 -1.885 19438 10790 1 14 . 1 1 21 21 GLU H H 21 8.450 8.450 7.910 0.540 19438 10791 1 14 . 1 1 22 22 HIS N N 22 119.650 119.650 123.579 -3.929 19438 10792 1 14 . 1 1 22 22 HIS HA H 22 4.687 4.687 5.182 -0.495 19438 10793 1 14 . 1 1 22 22 HIS C C 22 174.470 174.470 173.525 0.945 19438 10794 1 14 . 1 1 22 22 HIS CA C 22 55.980 55.980 55.569 0.411 19438 10795 1 14 . 1 1 22 22 HIS CB C 22 30.530 30.530 31.151 -0.621 19438 10796 1 14 . 1 1 22 22 HIS H H 22 8.334 8.334 8.397 -0.063 19438 10797 1 14 . 1 1 23 23 ILE N N 23 121.910 121.910 125.635 -3.725 19438 10798 1 14 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.329 -0.178 19438 10799 1 14 . 1 1 23 23 ILE C C 23 175.870 175.870 174.103 1.767 19438 10800 1 14 . 1 1 23 23 ILE CA C 23 61.170 61.170 58.846 2.324 19438 10801 1 14 . 1 1 23 23 ILE CB C 23 38.850 38.850 40.231 -1.381 19438 10802 1 14 . 1 1 23 23 ILE H H 23 7.782 7.782 7.895 -0.113 19438 10803 1 14 . 1 1 24 24 CYS N N 24 124.920 124.920 127.673 -2.753 19438 10804 1 14 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.625 0.169 19438 10805 1 14 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.393 -3.263 19438 10806 1 14 . 1 1 24 24 CYS CB C 24 42.470 42.470 27.683 14.787 19438 10807 1 14 . 1 1 24 24 CYS H H 24 8.697 8.697 8.150 0.547 19438 10808 1 14 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.419 0.311 19438 10809 1 14 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.480 0.274 19438 10810 1 14 . 1 1 26 26 PRO C C 26 175.820 175.820 176.381 -0.561 19438 10811 1 14 . 1 1 26 26 PRO CA C 26 62.580 62.580 63.499 -0.919 19438 10812 1 14 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.353 0.237 19438 10813 1 14 . 1 1 27 27 MET N N 27 120.580 120.580 121.788 -1.208 19438 10814 1 14 . 1 1 27 27 MET HA H 27 5.180 5.180 5.013 0.167 19438 10815 1 14 . 1 1 27 27 MET C C 27 174.810 174.810 175.109 -0.299 19438 10816 1 14 . 1 1 27 27 MET CA C 27 53.270 53.270 55.338 -2.068 19438 10817 1 14 . 1 1 27 27 MET CB C 27 34.580 34.580 34.996 -0.416 19438 10818 1 14 . 1 1 27 27 MET H H 27 9.055 9.055 9.014 0.041 19438 10819 1 14 . 1 1 28 28 VAL N N 28 122.030 122.030 123.455 -1.425 19438 10820 1 14 . 1 1 28 28 VAL HA H 28 5.093 5.093 4.605 0.488 19438 10821 1 14 . 1 1 28 28 VAL C C 28 175.710 175.710 174.369 1.341 19438 10822 1 14 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.063 -0.413 19438 10823 1 14 . 1 1 28 28 VAL CB C 28 35.470 35.470 33.498 1.972 19438 10824 1 14 . 1 1 28 28 VAL H H 28 8.575 8.575 8.618 -0.043 19438 10825 1 14 . 1 1 29 29 ILE N N 29 129.440 129.440 127.668 1.772 19438 10826 1 14 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.404 -0.038 19438 10827 1 14 . 1 1 29 29 ILE C C 29 176.490 176.490 174.000 2.490 19438 10828 1 14 . 1 1 29 29 ILE CA C 29 61.260 61.260 60.962 0.298 19438 10829 1 14 . 1 1 29 29 ILE CB C 29 37.960 37.960 39.741 -1.781 19438 10830 1 14 . 1 1 29 29 ILE H H 29 9.200 9.200 8.864 0.336 19438 10831 1 14 . 1 1 30 30 GLY N N 30 112.580 112.580 114.259 -1.679 19438 10832 1 14 . 1 1 30 30 GLY C C 30 175.350 175.350 173.285 2.065 19438 10833 1 14 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.843 1.267 19438 10834 1 14 . 1 1 30 30 GLY H H 30 8.525 8.525 8.704 -0.179 19438 10835 1 14 . 1 1 31 31 ASP N N 31 121.320 121.320 122.972 -1.652 19438 10836 1 14 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.647 -0.544 19438 10837 1 14 . 1 1 31 31 ASP C C 31 175.530 175.530 175.052 0.478 19438 10838 1 14 . 1 1 31 31 ASP CA C 31 55.530 55.530 54.215 1.315 19438 10839 1 14 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.550 -1.930 19438 10840 1 14 . 1 1 31 31 ASP H H 31 9.133 9.133 8.155 0.978 19438 10841 1 14 . 1 1 32 32 ARG N N 32 117.600 117.600 120.225 -2.625 19438 10842 1 14 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.948 0.083 19438 10843 1 14 . 1 1 32 32 ARG C C 32 177.060 177.060 175.748 1.312 19438 10844 1 14 . 1 1 32 32 ARG CA C 32 52.790 52.790 53.680 -0.890 19438 10845 1 14 . 1 1 32 32 ARG CB C 32 34.650 34.650 32.783 1.867 19438 10846 1 14 . 1 1 32 32 ARG H H 32 9.529 9.529 7.728 1.801 19438 10847 1 14 . 1 1 33 33 SER N N 33 116.150 116.150 119.309 -3.159 19438 10848 1 14 . 1 1 33 33 SER HA H 33 4.819 4.819 4.965 -0.146 19438 10849 1 14 . 1 1 33 33 SER C C 33 174.290 174.290 175.576 -1.286 19438 10850 1 14 . 1 1 33 33 SER CA C 33 58.130 58.130 57.534 0.596 19438 10851 1 14 . 1 1 33 33 SER CB C 33 64.530 64.530 64.604 -0.074 19438 10852 1 14 . 1 1 33 33 SER H H 33 8.400 8.400 8.784 -0.384 19438 10853 1 14 . 1 1 34 34 TYR N N 34 122.110 122.110 123.155 -1.045 19438 10854 1 14 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.583 -0.198 19438 10855 1 14 . 1 1 34 34 TYR C C 34 176.280 176.280 176.826 -0.546 19438 10856 1 14 . 1 1 34 34 TYR CA C 34 63.060 63.060 63.426 -0.366 19438 10857 1 14 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.410 -0.060 19438 10858 1 14 . 1 1 34 34 TYR H H 34 9.456 9.456 9.314 0.142 19438 10859 1 14 . 1 1 35 35 ASP N N 35 114.640 114.640 117.523 -2.883 19438 10860 1 14 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.300 -0.234 19438 10861 1 14 . 1 1 35 35 ASP C C 35 179.460 179.460 177.990 1.470 19438 10862 1 14 . 1 1 35 35 ASP CA C 35 57.380 57.380 56.853 0.527 19438 10863 1 14 . 1 1 35 35 ASP CB C 35 39.840 39.840 39.930 -0.090 19438 10864 1 14 . 1 1 35 35 ASP H H 35 8.611 8.611 8.517 0.094 19438 10865 1 14 . 1 1 36 36 ILE N N 36 120.860 120.860 121.398 -0.538 19438 10866 1 14 . 1 1 36 36 ILE HA H 36 3.848 3.848 4.026 -0.178 19438 10867 1 14 . 1 1 36 36 ILE C C 36 178.000 178.000 178.337 -0.337 19438 10868 1 14 . 1 1 36 36 ILE CA C 36 62.660 62.660 61.761 0.899 19438 10869 1 14 . 1 1 36 36 ILE CB C 36 36.700 36.700 36.926 -0.226 19438 10870 1 14 . 1 1 36 36 ILE H H 36 7.298 7.298 7.261 0.037 19438 10871 1 14 . 1 1 37 37 ALA N N 37 123.260 123.260 123.872 -0.612 19438 10872 1 14 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.878 -0.146 19438 10873 1 14 . 1 1 37 37 ALA C C 37 179.720 179.720 179.436 0.284 19438 10874 1 14 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.536 0.184 19438 10875 1 14 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.308 -0.328 19438 10876 1 14 . 1 1 37 37 ALA H H 37 8.906 8.906 8.839 0.067 19438 10877 1 14 . 1 1 38 38 MET N N 38 114.900 114.900 116.631 -1.731 19438 10878 1 14 . 1 1 38 38 MET HA H 38 4.282 4.282 4.025 0.257 19438 10879 1 14 . 1 1 38 38 MET C C 38 178.940 178.940 178.646 0.294 19438 10880 1 14 . 1 1 38 38 MET CA C 38 55.940 55.940 57.011 -1.071 19438 10881 1 14 . 1 1 38 38 MET CB C 38 29.570 29.570 30.883 -1.313 19438 10882 1 14 . 1 1 38 38 MET H H 38 8.237 8.237 7.985 0.252 19438 10883 1 14 . 1 1 39 39 GLU N N 39 120.020 120.020 120.274 -0.254 19438 10884 1 14 . 1 1 39 39 GLU HA H 39 4.101 4.101 4.013 0.088 19438 10885 1 14 . 1 1 39 39 GLU C C 39 180.880 180.880 179.290 1.590 19438 10886 1 14 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.172 0.459 19438 10887 1 14 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.579 -0.529 19438 10888 1 14 . 1 1 39 39 GLU H H 39 7.517 7.517 7.610 -0.093 19438 10889 1 14 . 1 1 40 40 ILE N N 40 122.000 122.000 121.128 0.872 19438 10890 1 14 . 1 1 40 40 ILE HA H 40 3.710 3.710 4.035 -0.325 19438 10891 1 14 . 1 1 40 40 ILE C C 40 177.890 177.890 177.542 0.348 19438 10892 1 14 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.854 0.386 19438 10893 1 14 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.337 -1.437 19438 10894 1 14 . 1 1 40 40 ILE H H 40 8.220 8.220 8.327 -0.107 19438 10895 1 14 . 1 1 41 41 VAL N N 41 120.760 120.760 121.246 -0.486 19438 10896 1 14 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.498 -0.112 19438 10897 1 14 . 1 1 41 41 VAL C C 41 179.090 179.090 177.957 1.133 19438 10898 1 14 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.457 0.403 19438 10899 1 14 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.477 -0.146 19438 10900 1 14 . 1 1 41 41 VAL H H 41 8.737 8.737 8.657 0.080 19438 10901 1 14 . 1 1 42 42 ASN N N 42 119.950 119.950 118.211 1.739 19438 10902 1 14 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.553 0.053 19438 10903 1 14 . 1 1 42 42 ASN C C 42 178.080 178.080 178.097 -0.017 19438 10904 1 14 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.130 -0.250 19438 10905 1 14 . 1 1 42 42 ASN CB C 42 37.490 37.490 37.778 -0.288 19438 10906 1 14 . 1 1 42 42 ASN H H 42 8.542 8.542 8.508 0.034 19438 10907 1 14 . 1 1 43 43 GLY N N 43 112.070 112.070 109.634 2.436 19438 10908 1 14 . 1 1 43 43 GLY C C 43 176.070 176.070 176.478 -0.408 19438 10909 1 14 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.245 0.345 19438 10910 1 14 . 1 1 43 43 GLY H H 43 8.387 8.387 8.121 0.266 19438 10911 1 14 . 1 1 44 44 VAL N N 44 122.900 122.900 122.471 0.429 19438 10912 1 14 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.608 -0.081 19438 10913 1 14 . 1 1 44 44 VAL C C 44 176.700 176.700 177.448 -0.748 19438 10914 1 14 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.895 -0.055 19438 10915 1 14 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.438 -0.188 19438 10916 1 14 . 1 1 44 44 VAL H H 44 9.078 9.078 8.573 0.505 19438 10917 1 14 . 1 1 45 45 ASP N N 45 119.070 119.070 120.024 -0.954 19438 10918 1 14 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.472 -0.280 19438 10919 1 14 . 1 1 45 45 ASP C C 45 176.540 176.540 178.735 -2.195 19438 10920 1 14 . 1 1 45 45 ASP CA C 45 58.490 58.490 58.210 0.280 19438 10921 1 14 . 1 1 45 45 ASP CB C 45 42.940 42.940 41.098 1.842 19438 10922 1 14 . 1 1 45 45 ASP H H 45 7.745 7.745 8.554 -0.809 19438 10923 1 14 . 1 1 46 46 ARG N N 46 115.750 115.750 119.385 -3.635 19438 10924 1 14 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.099 -0.105 19438 10925 1 14 . 1 1 46 46 ARG C C 46 179.760 179.760 178.852 0.908 19438 10926 1 14 . 1 1 46 46 ARG CA C 46 59.630 59.630 58.772 0.858 19438 10927 1 14 . 1 1 46 46 ARG CB C 46 30.190 30.190 29.937 0.253 19438 10928 1 14 . 1 1 46 46 ARG H H 46 7.557 7.557 7.978 -0.421 19438 10929 1 14 . 1 1 47 47 VAL N N 47 118.740 118.740 120.771 -2.031 19438 10930 1 14 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.814 0.098 19438 10931 1 14 . 1 1 47 47 VAL C C 47 179.150 179.150 178.273 0.877 19438 10932 1 14 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.367 -0.327 19438 10933 1 14 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.276 0.494 19438 10934 1 14 . 1 1 47 47 VAL H H 47 8.187 8.187 8.111 0.076 19438 10935 1 14 . 1 1 48 48 ILE N N 48 122.340 122.340 120.068 2.272 19438 10936 1 14 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.750 -0.053 19438 10937 1 14 . 1 1 48 48 ILE C C 48 178.130 178.130 178.161 -0.031 19438 10938 1 14 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.743 0.897 19438 10939 1 14 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.351 -0.721 19438 10940 1 14 . 1 1 48 48 ILE H H 48 8.786 8.786 8.523 0.263 19438 10941 1 14 . 1 1 49 49 LYS N N 49 116.860 116.860 119.692 -2.832 19438 10942 1 14 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.169 -0.110 19438 10943 1 14 . 1 1 49 49 LYS C C 49 178.120 178.120 178.199 -0.079 19438 10944 1 14 . 1 1 49 49 LYS CA C 49 60.270 60.270 59.147 1.123 19438 10945 1 14 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.696 0.404 19438 10946 1 14 . 1 1 49 49 LYS H H 49 7.785 7.785 8.184 -0.399 19438 10947 1 14 . 1 1 50 50 ALA N N 50 117.520 117.520 121.347 -3.827 19438 10948 1 14 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.408 -0.052 19438 10949 1 14 . 1 1 50 50 ALA C C 50 179.940 179.940 178.732 1.208 19438 10950 1 14 . 1 1 50 50 ALA CA C 50 53.960 53.960 54.212 -0.252 19438 10951 1 14 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.242 0.118 19438 10952 1 14 . 1 1 50 50 ALA H H 50 7.740 7.740 7.917 -0.177 19438 10953 1 14 . 1 1 51 51 SER N N 51 111.860 111.860 113.347 -1.487 19438 10954 1 14 . 1 1 51 51 SER HA H 51 4.287 4.287 4.379 -0.092 19438 10955 1 14 . 1 1 51 51 SER C C 51 172.840 172.840 173.777 -0.937 19438 10956 1 14 . 1 1 51 51 SER CA C 51 60.610 60.610 60.582 0.028 19438 10957 1 14 . 1 1 51 51 SER CB C 51 64.500 64.500 63.738 0.762 19438 10958 1 14 . 1 1 51 51 SER H H 51 7.957 7.957 8.388 -0.431 19438 10959 1 14 . 1 1 52 52 PHE N N 52 116.210 116.210 117.670 -1.460 19438 10960 1 14 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.652 0.125 19438 10961 1 14 . 1 1 52 52 PHE C C 52 174.210 174.210 174.452 -0.242 19438 10962 1 14 . 1 1 52 52 PHE CA C 52 56.290 56.290 55.974 0.316 19438 10963 1 14 . 1 1 52 52 PHE CB C 52 42.580 42.580 42.059 0.521 19438 10964 1 14 . 1 1 52 52 PHE H H 52 7.901 7.901 7.749 0.152 19438 10965 1 14 . 1 1 53 53 ASN N N 53 117.890 117.890 121.032 -3.142 19438 10966 1 14 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.807 0.095 19438 10967 1 14 . 1 1 53 53 ASN C C 53 175.120 175.120 173.553 1.567 19438 10968 1 14 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.881 1.069 19438 10969 1 14 . 1 1 53 53 ASN CB C 53 37.550 37.550 38.995 -1.445 19438 10970 1 14 . 1 1 53 53 ASN H H 53 8.205 8.205 8.854 -0.649 19438 10971 1 14 . 1 1 54 54 ALA N N 54 125.300 125.300 128.115 -2.815 19438 10972 1 14 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.426 0.015 19438 10973 1 14 . 1 1 54 54 ALA C C 54 176.800 176.800 176.571 0.229 19438 10974 1 14 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.523 1.037 19438 10975 1 14 . 1 1 54 54 ALA CB C 54 24.080 24.080 22.448 1.632 19438 10976 1 14 . 1 1 54 54 ALA H H 54 8.246 8.246 8.157 0.089 19438 10977 1 14 . 1 1 55 55 SER N N 55 115.850 115.850 119.346 -3.496 19438 10978 1 14 . 1 1 55 55 SER HA H 55 4.789 4.789 4.827 -0.038 19438 10979 1 14 . 1 1 55 55 SER C C 55 172.830 172.830 173.230 -0.400 19438 10980 1 14 . 1 1 55 55 SER CA C 55 57.200 57.200 57.147 0.053 19438 10981 1 14 . 1 1 55 55 SER CB C 55 65.460 65.460 63.915 1.545 19438 10982 1 14 . 1 1 55 55 SER H H 55 8.606 8.606 8.736 -0.130 19438 10983 1 14 . 1 1 56 56 VAL N N 56 121.700 121.700 127.079 -5.379 19438 10984 1 14 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.983 -0.189 19438 10985 1 14 . 1 1 56 56 VAL C C 56 173.160 173.160 175.161 -2.001 19438 10986 1 14 . 1 1 56 56 VAL CA C 56 60.010 60.010 59.661 0.349 19438 10987 1 14 . 1 1 56 56 VAL CB C 56 35.570 35.570 34.815 0.755 19438 10988 1 14 . 1 1 56 56 VAL H H 56 8.648 8.648 8.645 0.003 19438 10989 1 14 . 1 1 57 57 GLU N N 57 126.130 126.130 128.211 -2.081 19438 10990 1 14 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.686 -0.174 19438 10991 1 14 . 1 1 57 57 GLU C C 57 174.090 174.090 174.160 -0.070 19438 10992 1 14 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.790 -0.240 19438 10993 1 14 . 1 1 57 57 GLU CB C 57 33.910 33.910 33.890 0.020 19438 10994 1 14 . 1 1 57 57 GLU H H 57 8.122 8.122 9.048 -0.926 19438 10995 1 14 . 1 1 58 58 GLU N N 58 124.740 124.740 123.168 1.572 19438 10996 1 14 . 1 1 58 58 GLU HA H 58 4.687 4.687 5.226 -0.539 19438 10997 1 14 . 1 1 58 58 GLU C C 58 175.410 175.410 175.421 -0.011 19438 10998 1 14 . 1 1 58 58 GLU CA C 58 55.990 55.990 54.683 1.307 19438 10999 1 14 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.952 -0.622 19438 11000 1 14 . 1 1 58 58 GLU H H 58 8.610 8.610 8.558 0.052 19438 11001 1 14 . 1 1 59 59 LEU N N 59 126.780 126.780 126.126 0.654 19438 11002 1 14 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.663 0.048 19438 11003 1 14 . 1 1 59 59 LEU C C 59 175.970 175.970 176.448 -0.478 19438 11004 1 14 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.781 -0.000 19438 11005 1 14 . 1 1 59 59 LEU CB C 59 45.320 45.320 44.191 1.129 19438 11006 1 14 . 1 1 59 59 LEU H H 59 8.259 8.259 9.000 -0.741 19438 11007 1 14 . 1 1 60 60 GLU N N 60 119.810 119.810 118.793 1.017 19438 11008 1 14 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.495 -0.147 19438 11009 1 14 . 1 1 60 60 GLU C C 60 177.560 177.560 176.214 1.346 19438 11010 1 14 . 1 1 60 60 GLU CA C 60 57.340 57.340 55.603 1.737 19438 11011 1 14 . 1 1 60 60 GLU CB C 60 30.260 30.260 31.457 -1.197 19438 11012 1 14 . 1 1 60 60 GLU H H 60 8.258 8.258 8.463 -0.205 19438 11013 1 14 . 1 1 61 61 GLY N N 61 117.720 117.720 111.231 6.489 19438 11014 1 14 . 1 1 61 61 GLY C C 61 174.320 174.320 173.454 0.866 19438 11015 1 14 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.308 0.262 19438 11016 1 14 . 1 1 61 61 GLY H H 61 8.726 8.726 8.557 0.169 19438 11017 1 14 . 1 1 62 62 GLU N N 62 121.700 121.700 118.859 2.841 19438 11018 1 14 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.236 0.295 19438 11019 1 14 . 1 1 62 62 GLU C C 62 177.690 177.690 178.213 -0.523 19438 11020 1 14 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.249 -0.699 19438 11021 1 14 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.850 0.450 19438 11022 1 14 . 1 1 62 62 GLU H H 62 9.337 9.337 8.231 1.106 19438 11023 1 14 . 1 1 63 63 ASP N N 63 120.760 120.760 121.154 -0.394 19438 11024 1 14 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.385 -0.055 19438 11025 1 14 . 1 1 63 63 ASP C C 63 178.080 178.080 176.510 1.570 19438 11026 1 14 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.464 0.466 19438 11027 1 14 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.556 0.214 19438 11028 1 14 . 1 1 63 63 ASP H H 63 8.632 8.632 8.723 -0.091 19438 11029 1 14 . 1 1 64 64 CYS N N 64 113.520 113.520 116.205 -2.685 19438 11030 1 14 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.264 0.168 19438 11031 1 14 . 1 1 64 64 CYS C C 64 173.700 173.700 174.150 -0.450 19438 11032 1 14 . 1 1 64 64 CYS CA C 64 57.170 57.170 59.297 -2.127 19438 11033 1 14 . 1 1 64 64 CYS CB C 64 41.210 41.210 27.507 13.703 19438 11034 1 14 . 1 1 64 64 CYS H H 64 7.962 7.962 8.049 -0.087 19438 11035 1 14 . 1 1 65 65 ASP N N 65 120.200 120.200 120.908 -0.708 19438 11036 1 14 . 1 1 65 65 ASP HA H 65 5.190 5.190 5.028 0.162 19438 11037 1 14 . 1 1 65 65 ASP C C 65 176.540 176.540 176.102 0.438 19438 11038 1 14 . 1 1 65 65 ASP CA C 65 54.310 54.310 54.580 -0.270 19438 11039 1 14 . 1 1 65 65 ASP CB C 65 41.150 41.150 41.158 -0.008 19438 11040 1 14 . 1 1 65 65 ASP H H 65 7.936 7.936 8.044 -0.108 19438 11041 1 14 . 1 1 66 66 VAL N N 66 122.070 122.070 122.784 -0.714 19438 11042 1 14 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.101 0.166 19438 11043 1 14 . 1 1 66 66 VAL C C 66 176.000 176.000 176.036 -0.036 19438 11044 1 14 . 1 1 66 66 VAL CA C 66 63.190 63.190 64.224 -1.034 19438 11045 1 14 . 1 1 66 66 VAL CB C 66 32.430 32.430 33.013 -0.583 19438 11046 1 14 . 1 1 66 66 VAL H H 66 9.431 9.431 9.042 0.389 19438 11047 1 14 . 1 1 67 67 LEU N N 67 119.700 119.700 119.605 0.095 19438 11048 1 14 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.738 -0.099 19438 11049 1 14 . 1 1 67 67 LEU C C 67 174.400 174.400 173.815 0.585 19438 11050 1 14 . 1 1 67 67 LEU CA C 67 55.100 55.100 54.579 0.521 19438 11051 1 14 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.346 -0.326 19438 11052 1 14 . 1 1 67 67 LEU H H 67 7.625 7.625 7.451 0.174 19438 11053 1 14 . 1 1 68 68 TYR N N 68 126.330 126.330 126.580 -0.250 19438 11054 1 14 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.184 0.666 19438 11055 1 14 . 1 1 68 68 TYR C C 68 173.460 173.460 173.009 0.451 19438 11056 1 14 . 1 1 68 68 TYR CA C 68 54.660 54.660 56.128 -1.468 19438 11057 1 14 . 1 1 68 68 TYR CB C 68 38.140 38.140 42.241 -4.101 19438 11058 1 14 . 1 1 68 68 TYR H H 68 9.086 9.086 9.013 0.073 19438 11059 1 14 . 1 1 69 69 ARG N N 69 127.440 127.440 127.741 -0.301 19438 11060 1 14 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.282 -0.422 19438 11061 1 14 . 1 1 69 69 ARG C C 69 173.030 173.030 174.489 -1.459 19438 11062 1 14 . 1 1 69 69 ARG CA C 69 54.430 54.430 53.896 0.534 19438 11063 1 14 . 1 1 69 69 ARG CB C 69 35.030 35.030 34.133 0.897 19438 11064 1 14 . 1 1 69 69 ARG H H 69 9.569 9.569 9.264 0.305 19438 11065 1 14 . 1 1 70 70 LYS N N 70 122.850 122.850 125.783 -2.933 19438 11066 1 14 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.133 -0.128 19438 11067 1 14 . 1 1 70 70 LYS C C 70 175.830 175.830 174.253 1.577 19438 11068 1 14 . 1 1 70 70 LYS CA C 70 54.690 54.690 55.495 -0.805 19438 11069 1 14 . 1 1 70 70 LYS CB C 70 36.040 36.040 36.327 -0.286 19438 11070 1 14 . 1 1 70 70 LYS H H 70 8.612 8.612 8.987 -0.375 19438 11071 1 14 . 1 1 71 71 TYR N N 71 129.420 129.420 126.100 3.320 19438 11072 1 14 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.251 0.051 19438 11073 1 14 . 1 1 71 71 TYR C C 71 175.710 175.710 175.513 0.197 19438 11074 1 14 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.238 0.722 19438 11075 1 14 . 1 1 71 71 TYR CB C 71 40.330 40.330 41.497 -1.167 19438 11076 1 14 . 1 1 71 71 TYR H H 71 9.762 9.762 9.122 0.640 19438 11077 1 14 . 1 1 72 72 THR N N 72 119.820 119.820 122.218 -2.398 19438 11078 1 14 . 1 1 72 72 THR HA H 72 4.707 4.707 4.541 0.166 19438 11079 1 14 . 1 1 72 72 THR C C 72 173.860 173.860 173.672 0.188 19438 11080 1 14 . 1 1 72 72 THR CA C 72 63.250 63.250 63.254 -0.004 19438 11081 1 14 . 1 1 72 72 THR CB C 72 69.370 69.370 68.731 0.639 19438 11082 1 14 . 1 1 72 72 THR H H 72 8.845 8.845 9.244 -0.399 19438 11083 1 14 . 1 1 73 73 LEU N N 73 125.420 125.420 128.522 -3.102 19438 11084 1 14 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.341 -0.212 19438 11085 1 14 . 1 1 73 73 LEU C C 73 175.760 175.760 176.041 -0.281 19438 11086 1 14 . 1 1 73 73 LEU CA C 73 54.080 54.080 53.478 0.602 19438 11087 1 14 . 1 1 73 73 LEU CB C 73 45.350 45.350 43.355 1.995 19438 11088 1 14 . 1 1 73 73 LEU H H 73 8.929 8.929 9.249 -0.320 19438 11089 1 14 . 1 1 74 74 GLU N N 74 120.090 120.090 124.222 -4.132 19438 11090 1 14 . 1 1 74 74 GLU HA H 74 5.214 5.214 4.901 0.313 19438 11091 1 14 . 1 1 74 74 GLU C C 74 175.400 175.400 174.876 0.524 19438 11092 1 14 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.648 0.092 19438 11093 1 14 . 1 1 74 74 GLU CB C 74 33.040 33.040 31.927 1.113 19438 11094 1 14 . 1 1 74 74 GLU H H 74 8.311 8.311 8.818 -0.507 19438 11095 1 14 . 1 1 75 75 LYS N N 75 124.230 124.230 124.251 -0.021 19438 11096 1 14 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.615 -0.142 19438 11097 1 14 . 1 1 75 75 LYS C C 75 175.380 175.380 176.298 -0.918 19438 11098 1 14 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.603 2.457 19438 11099 1 14 . 1 1 75 75 LYS CB C 75 35.740 35.740 35.134 0.606 19438 11100 1 14 . 1 1 75 75 LYS H H 75 8.691 8.691 8.879 -0.188 19438 11101 1 14 . 1 1 76 76 GLU N N 76 127.760 127.760 118.914 8.846 19438 11102 1 14 . 1 1 76 76 GLU HA H 76 3.903 3.903 4.055 -0.152 19438 11103 1 14 . 1 1 76 76 GLU C C 76 176.190 176.190 176.897 -0.707 19438 11104 1 14 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.538 -0.088 19438 11105 1 14 . 1 1 76 76 GLU CB C 76 27.830 27.830 27.610 0.220 19438 11106 1 14 . 1 1 76 76 GLU H H 76 9.556 9.556 8.769 0.787 19438 11107 1 14 . 1 1 77 77 GLY N N 77 106.560 106.560 111.853 -5.293 19438 11108 1 14 . 1 1 77 77 GLY C C 77 174.320 174.320 174.217 0.103 19438 11109 1 14 . 1 1 77 77 GLY CA C 77 45.640 45.640 45.498 0.141 19438 11110 1 14 . 1 1 77 77 GLY H H 77 8.928 8.928 8.269 0.659 19438 11111 1 14 . 1 1 78 78 LYS N N 78 121.600 121.600 121.044 0.556 19438 11112 1 14 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.586 -0.001 19438 11113 1 14 . 1 1 78 78 LYS C C 78 175.240 175.240 174.445 0.795 19438 11114 1 14 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.561 -0.181 19438 11115 1 14 . 1 1 78 78 LYS CB C 78 33.490 33.490 35.306 -1.816 19438 11116 1 14 . 1 1 78 78 LYS H H 78 8.015 8.015 7.806 0.209 19438 11117 1 14 . 1 1 79 79 LYS N N 79 120.990 120.990 121.748 -0.758 19438 11118 1 14 . 1 1 79 79 LYS HA H 79 5.199 5.199 4.899 0.300 19438 11119 1 14 . 1 1 79 79 LYS C C 79 176.150 176.150 174.777 1.373 19438 11120 1 14 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.570 0.500 19438 11121 1 14 . 1 1 79 79 LYS CB C 79 35.080 35.080 36.399 -1.319 19438 11122 1 14 . 1 1 79 79 LYS H H 79 8.438 8.438 8.427 0.011 19438 11123 1 14 . 1 1 80 80 GLY N N 80 107.840 107.840 108.069 -0.229 19438 11124 1 14 . 1 1 80 80 GLY C C 80 170.430 170.430 171.672 -1.242 19438 11125 1 14 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.334 -0.074 19438 11126 1 14 . 1 1 80 80 GLY H H 80 8.391 8.391 8.394 -0.003 19438 11127 1 14 . 1 1 81 81 ILE N N 81 120.670 120.670 119.374 1.296 19438 11128 1 14 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.005 0.277 19438 11129 1 14 . 1 1 81 81 ILE C C 81 175.210 175.210 174.711 0.499 19438 11130 1 14 . 1 1 81 81 ILE CA C 81 58.640 58.640 59.725 -1.085 19438 11131 1 14 . 1 1 81 81 ILE CB C 81 42.420 42.420 40.873 1.547 19438 11132 1 14 . 1 1 81 81 ILE H H 81 8.623 8.623 8.653 -0.030 19438 11133 1 14 . 1 1 82 82 VAL N N 82 121.970 121.970 125.715 -3.745 19438 11134 1 14 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.437 0.277 19438 11135 1 14 . 1 1 82 82 VAL C C 82 174.230 174.230 174.784 -0.554 19438 11136 1 14 . 1 1 82 82 VAL CA C 82 61.010 61.010 61.306 -0.296 19438 11137 1 14 . 1 1 82 82 VAL CB C 82 35.260 35.260 32.708 2.552 19438 11138 1 14 . 1 1 82 82 VAL H H 82 8.967 8.967 9.024 -0.057 19438 11139 1 14 . 1 1 83 83 HIS N N 83 129.690 129.690 127.814 1.876 19438 11140 1 14 . 1 1 83 83 HIS HA H 83 5.219 5.219 5.480 -0.261 19438 11141 1 14 . 1 1 83 83 HIS C C 83 174.960 174.960 174.752 0.208 19438 11142 1 14 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.695 0.745 19438 11143 1 14 . 1 1 83 83 HIS CB C 83 32.240 32.240 31.591 0.649 19438 11144 1 14 . 1 1 83 83 HIS H H 83 8.960 8.960 9.092 -0.132 19438 11145 1 14 . 1 1 84 84 VAL N N 84 125.620 125.620 124.993 0.627 19438 11146 1 14 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.487 0.639 19438 11147 1 14 . 1 1 84 84 VAL C C 84 174.590 174.590 174.202 0.388 19438 11148 1 14 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.672 0.558 19438 11149 1 14 . 1 1 84 84 VAL CB C 84 34.020 34.020 33.253 0.767 19438 11150 1 14 . 1 1 84 84 VAL H H 84 9.834 9.834 9.205 0.629 19438 11151 1 14 . 1 1 85 85 LYS N N 85 125.370 125.370 126.092 -0.722 19438 11152 1 14 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.243 0.221 19438 11153 1 14 . 1 1 85 85 LYS C C 85 174.890 174.890 174.852 0.038 19438 11154 1 14 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.667 0.543 19438 11155 1 14 . 1 1 85 85 LYS CB C 85 36.430 36.430 36.142 0.288 19438 11156 1 14 . 1 1 85 85 LYS H H 85 9.517 9.517 8.862 0.655 19438 11157 1 14 . 1 1 86 86 LEU N N 86 123.830 123.830 124.069 -0.239 19438 11158 1 14 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.960 0.187 19438 11159 1 14 . 1 1 86 86 LEU C C 86 174.760 174.760 175.743 -0.983 19438 11160 1 14 . 1 1 86 86 LEU CA C 86 54.210 54.210 53.787 0.423 19438 11161 1 14 . 1 1 86 86 LEU CB C 86 44.830 44.830 42.626 2.204 19438 11162 1 14 . 1 1 86 86 LEU H H 86 8.400 8.400 9.109 -0.709 19438 11163 1 14 . 1 1 87 87 ARG N N 87 128.610 128.610 123.531 5.079 19438 11164 1 14 . 1 1 87 87 ARG HA H 87 5.473 5.473 5.258 0.215 19438 11165 1 14 . 1 1 87 87 ARG C C 87 176.130 176.130 175.623 0.507 19438 11166 1 14 . 1 1 87 87 ARG CA C 87 54.970 54.970 53.682 1.288 19438 11167 1 14 . 1 1 87 87 ARG CB C 87 34.230 34.230 32.439 1.791 19438 11168 1 14 . 1 1 87 87 ARG H H 87 9.647 9.647 9.482 0.165 19438 11169 1 14 . 1 1 88 88 LYS N N 88 122.810 122.810 123.417 -0.607 19438 11170 1 14 . 1 1 88 88 LYS HA H 88 4.138 4.138 3.985 0.153 19438 11171 1 14 . 1 1 88 88 LYS C C 88 174.890 174.890 175.443 -0.553 19438 11172 1 14 . 1 1 88 88 LYS CA C 88 56.330 56.330 55.522 0.808 19438 11173 1 14 . 1 1 88 88 LYS CB C 88 34.310 34.310 32.119 2.191 19438 11174 1 14 . 1 1 88 88 LYS H H 88 8.510 8.510 8.894 -0.384 19438 11175 1 14 . 1 1 89 89 ILE N N 89 120.880 120.880 127.978 -7.098 19438 11176 1 14 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.297 0.334 19438 11177 1 14 . 1 1 89 89 ILE C C 89 176.400 176.400 174.437 1.963 19438 11178 1 14 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.084 -0.414 19438 11179 1 14 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.976 -1.256 19438 11180 1 14 . 1 1 89 89 ILE H H 89 7.470 7.470 7.977 -0.507 19438 11181 1 14 . 1 1 90 90 THR N N 90 116.610 116.610 123.693 -7.083 19438 11182 1 14 . 1 1 90 90 THR HA H 90 4.700 4.700 4.458 0.242 19438 11183 1 14 . 1 1 90 90 THR CA C 90 59.100 59.100 60.822 -1.722 19438 11184 1 14 . 1 1 90 90 THR CB C 90 72.600 72.600 71.225 1.375 19438 11185 1 14 . 1 1 90 90 THR H H 90 7.701 7.701 7.699 0.002 19438 11186 1 14 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.221 -0.191 19438 11187 1 14 . 1 1 91 91 GLU C C 91 177.100 177.100 177.044 0.056 19438 11188 1 14 . 1 1 91 91 GLU CA C 91 59.640 59.640 58.805 0.835 19438 11189 1 14 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.433 -0.383 19438 11190 1 14 . 1 1 92 92 ASN N N 92 113.650 113.650 116.660 -3.010 19438 11191 1 14 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.597 0.103 19438 11192 1 14 . 1 1 92 92 ASN C C 92 174.100 174.100 174.765 -0.665 19438 11193 1 14 . 1 1 92 92 ASN CA C 92 53.490 53.490 54.311 -0.821 19438 11194 1 14 . 1 1 92 92 ASN CB C 92 39.270 39.270 38.795 0.475 19438 11195 1 14 . 1 1 92 92 ASN H H 92 7.915 7.915 8.318 -0.403 19438 11196 1 14 . 1 1 93 93 CYS N N 93 120.190 120.190 120.811 -0.621 19438 11197 1 14 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.946 0.130 19438 11198 1 14 . 1 1 93 93 CYS CA C 93 52.610 52.610 55.703 -3.093 19438 11199 1 14 . 1 1 93 93 CYS CB C 93 42.090 42.090 27.488 14.602 19438 11200 1 14 . 1 1 93 93 CYS H H 93 7.514 7.514 7.739 -0.225 19438 11201 1 14 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.763 0.027 19438 11202 1 14 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.417 0.083 19438 11203 1 14 . 1 1 95 95 PRO C C 95 177.770 177.770 175.426 2.344 19438 11204 1 14 . 1 1 95 95 PRO CA C 95 62.740 62.740 63.280 -0.540 19438 11205 1 14 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.028 0.072 19438 11206 1 14 . 1 1 96 96 VAL N N 96 123.600 123.600 124.498 -0.898 19438 11207 1 14 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.306 -0.359 19438 11208 1 14 . 1 1 96 96 VAL C C 96 175.780 175.780 175.538 0.242 19438 11209 1 14 . 1 1 96 96 VAL CA C 96 62.100 62.100 60.393 1.707 19438 11210 1 14 . 1 1 96 96 VAL CB C 96 32.580 32.580 34.182 -1.602 19438 11211 1 14 . 1 1 96 96 VAL H H 96 9.071 9.071 7.950 1.121 19438 11212 1 14 . 1 1 97 97 ASP N N 97 125.400 125.400 123.637 1.763 19438 11213 1 14 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.885 -0.215 19438 11214 1 14 . 1 1 97 97 ASP C C 97 175.410 175.410 175.615 -0.205 19438 11215 1 14 . 1 1 97 97 ASP CA C 97 54.010 54.010 54.211 -0.201 19438 11216 1 14 . 1 1 97 97 ASP CB C 97 41.580 41.580 41.504 0.076 19438 11217 1 14 . 1 1 97 97 ASP H H 97 8.313 8.313 8.520 -0.207 19438 11218 1 14 . 1 1 98 98 GLY N N 98 108.310 108.310 108.197 0.113 19438 11219 1 14 . 1 1 98 98 GLY C C 98 173.140 173.140 173.042 0.098 19438 11220 1 14 . 1 1 98 98 GLY CA C 98 45.270 45.270 44.583 0.687 19438 11221 1 14 . 1 1 98 98 GLY H H 98 7.838 7.838 8.150 -0.312 19438 11222 1 14 . 1 1 99 99 ASN N N 99 120.050 120.050 120.367 -0.317 19438 11223 1 14 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.500 0.682 19438 11224 1 14 . 1 1 99 99 ASN C C 99 174.700 174.700 174.692 0.008 19438 11225 1 14 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.493 -0.373 19438 11226 1 14 . 1 1 99 99 ASN CB C 99 39.360 39.360 39.268 0.092 19438 11227 1 14 . 1 1 99 99 ASN H H 99 8.685 8.685 8.396 0.289 19438 11228 1 14 . 1 1 100 100 ARG N N 100 121.100 121.100 128.488 -7.388 19438 11229 1 14 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.628 0.281 19438 11230 1 14 . 1 1 100 100 ARG C C 100 176.930 176.930 175.854 1.076 19438 11231 1 14 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.923 -0.113 19438 11232 1 14 . 1 1 100 100 ARG CB C 100 31.710 31.710 30.429 1.281 19438 11233 1 14 . 1 1 100 100 ARG H H 100 8.502 8.502 8.190 0.312 19438 11234 1 14 . 1 1 101 101 CYS N N 101 121.180 121.180 126.289 -5.109 19438 11235 1 14 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.409 0.297 19438 11236 1 14 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.301 -3.031 19438 11237 1 14 . 1 1 101 101 CYS H H 101 8.607 8.607 8.452 0.155 19438 11238 1 14 . 1 1 102 102 SER HA H 102 4.565 4.565 4.494 0.071 19438 11239 1 14 . 1 1 102 102 SER C C 102 174.220 174.220 173.418 0.802 19438 11240 1 14 . 1 1 102 102 SER CA C 102 57.900 57.900 58.157 -0.257 19438 11241 1 14 . 1 1 102 102 SER CB C 102 63.700 63.700 61.983 1.717 19438 11242 1 14 . 1 1 103 103 VAL N N 103 122.910 122.910 126.209 -3.299 19438 11243 1 14 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.079 0.143 19438 11244 1 14 . 1 1 103 103 VAL C C 103 175.070 175.070 175.164 -0.094 19438 11245 1 14 . 1 1 103 103 VAL CA C 103 62.440 62.440 62.611 -0.171 19438 11246 1 14 . 1 1 103 103 VAL H H 103 8.332 8.332 8.122 0.210 19438 11247 1 14 . 1 1 104 104 LEU N N 104 125.940 125.940 127.245 -1.305 19438 11248 1 14 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.805 -0.392 19438 11249 1 14 . 1 1 104 104 LEU C C 104 177.220 177.220 176.596 0.624 19438 11250 1 14 . 1 1 104 104 LEU CA C 104 55.930 55.930 55.467 0.463 19438 11251 1 14 . 1 1 104 104 LEU CB C 104 42.890 42.890 43.832 -0.942 19438 11252 1 14 . 1 1 104 104 LEU H H 104 8.831 8.831 9.824 -0.993 19438 11253 1 14 . 1 1 105 105 GLU N N 105 120.540 120.540 117.279 3.261 19438 11254 1 14 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.718 -0.307 19438 11255 1 14 . 1 1 105 105 GLU C C 105 175.400 175.400 176.920 -1.520 19438 11256 1 14 . 1 1 105 105 GLU CA C 105 55.890 55.890 55.147 0.743 19438 11257 1 14 . 1 1 105 105 GLU CB C 105 30.460 30.460 32.857 -2.397 19438 11258 1 14 . 1 1 105 105 GLU H H 105 8.070 8.070 7.807 0.263 19438 11259 1 14 . 1 1 106 106 PHE N N 106 124.060 124.060 123.882 0.178 19438 11260 1 14 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.023 0.038 19438 11261 1 14 . 1 1 106 106 PHE C C 106 175.880 175.880 177.032 -1.152 19438 11262 1 14 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.825 0.295 19438 11263 1 14 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.193 0.477 19438 11264 1 14 . 1 1 106 106 PHE H H 106 8.666 8.666 8.758 -0.092 19438 11265 1 14 . 1 1 107 107 GLU N N 107 117.290 117.290 118.272 -0.982 19438 11266 1 14 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.945 -0.059 19438 11267 1 14 . 1 1 107 107 GLU C C 107 178.050 178.050 179.263 -1.213 19438 11268 1 14 . 1 1 107 107 GLU CA C 107 59.360 59.360 60.130 -0.770 19438 11269 1 14 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.266 0.064 19438 11270 1 14 . 1 1 107 107 GLU H H 107 8.932 8.932 8.717 0.215 19438 11271 1 14 . 1 1 108 108 ARG N N 108 117.240 117.240 118.462 -1.222 19438 11272 1 14 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.450 -0.142 19438 11273 1 14 . 1 1 108 108 ARG C C 108 177.930 177.930 178.812 -0.882 19438 11274 1 14 . 1 1 108 108 ARG CA C 108 57.120 57.120 57.781 -0.661 19438 11275 1 14 . 1 1 108 108 ARG CB C 108 31.110 31.110 30.050 1.060 19438 11276 1 14 . 1 1 108 108 ARG H H 108 7.533 7.533 7.981 -0.448 19438 11277 1 14 . 1 1 109 109 ASP N N 109 120.040 120.040 122.039 -1.999 19438 11278 1 14 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.383 0.217 19438 11279 1 14 . 1 1 109 109 ASP C C 109 177.980 177.980 178.560 -0.580 19438 11280 1 14 . 1 1 109 109 ASP CA C 109 56.810 56.810 57.618 -0.808 19438 11281 1 14 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.521 0.979 19438 11282 1 14 . 1 1 109 109 ASP H H 109 8.295 8.295 8.245 0.050 19438 11283 1 14 . 1 1 110 110 ILE N N 110 118.710 118.710 120.209 -1.499 19438 11284 1 14 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.542 0.252 19438 11285 1 14 . 1 1 110 110 ILE C C 110 176.740 176.740 176.788 -0.048 19438 11286 1 14 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.578 -1.728 19438 11287 1 14 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.710 -0.680 19438 11288 1 14 . 1 1 110 110 ILE H H 110 8.081 8.081 8.014 0.067 19438 11289 1 14 . 1 1 111 111 GLU N N 111 121.140 121.140 119.978 1.162 19438 11290 1 14 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.820 0.142 19438 11291 1 14 . 1 1 111 111 GLU C C 111 177.400 177.400 178.760 -1.360 19438 11292 1 14 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.830 -0.230 19438 11293 1 14 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.203 0.097 19438 11294 1 14 . 1 1 111 111 GLU H H 111 7.558 7.558 7.742 -0.184 19438 11295 1 14 . 1 1 112 112 CYS N N 112 117.380 117.380 119.342 -1.962 19438 11296 1 14 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.144 -0.041 19438 11297 1 14 . 1 1 112 112 CYS C C 112 176.570 176.570 176.842 -0.272 19438 11298 1 14 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.360 -3.070 19438 11299 1 14 . 1 1 112 112 CYS CB C 112 41.910 41.910 25.942 15.967 19438 11300 1 14 . 1 1 112 112 CYS H H 112 7.739 7.739 7.857 -0.118 19438 11301 1 14 . 1 1 113 113 ILE N N 113 118.520 118.520 121.269 -2.749 19438 11302 1 14 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.726 0.107 19438 11303 1 14 . 1 1 113 113 ILE C C 113 177.220 177.220 178.584 -1.364 19438 11304 1 14 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.596 -0.186 19438 11305 1 14 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.656 0.775 19438 11306 1 14 . 1 1 113 113 ILE H H 113 7.682 7.682 8.100 -0.418 19438 11307 1 14 . 1 1 114 114 VAL N N 114 120.390 120.390 120.415 -0.025 19438 11308 1 14 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.342 0.126 19438 11309 1 14 . 1 1 114 114 VAL C C 114 177.970 177.970 177.951 0.019 19438 11310 1 14 . 1 1 114 114 VAL CA C 114 67.960 67.960 67.314 0.646 19438 11311 1 14 . 1 1 114 114 VAL CB C 114 31.730 31.730 31.284 0.446 19438 11312 1 14 . 1 1 114 114 VAL H H 114 7.765 7.765 8.433 -0.668 19438 11313 1 14 . 1 1 115 115 LYS N N 115 118.840 118.840 119.620 -0.780 19438 11314 1 14 . 1 1 115 115 LYS HA H 115 4.129 4.129 3.993 0.136 19438 11315 1 14 . 1 1 115 115 LYS C C 115 178.870 178.870 178.874 -0.004 19438 11316 1 14 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.658 -0.358 19438 11317 1 14 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.135 -0.225 19438 11318 1 14 . 1 1 115 115 LYS H H 115 8.314 8.314 8.512 -0.198 19438 11319 1 14 . 1 1 116 116 ALA N N 116 121.000 121.000 122.482 -1.482 19438 11320 1 14 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.166 0.060 19438 11321 1 14 . 1 1 116 116 ALA C C 116 181.600 181.600 179.640 1.960 19438 11322 1 14 . 1 1 116 116 ALA CA C 116 55.320 55.320 54.739 0.581 19438 11323 1 14 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.221 0.429 19438 11324 1 14 . 1 1 116 116 ALA H H 116 7.427 7.427 7.645 -0.218 19438 11325 1 14 . 1 1 117 117 ILE N N 117 120.090 120.090 119.547 0.543 19438 11326 1 14 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.437 -0.124 19438 11327 1 14 . 1 1 117 117 ILE C C 117 177.630 177.630 177.705 -0.075 19438 11328 1 14 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.721 0.789 19438 11329 1 14 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.616 0.244 19438 11330 1 14 . 1 1 117 117 ILE H H 117 8.121 8.121 8.334 -0.213 19438 11331 1 14 . 1 1 118 118 GLU N N 118 119.300 119.300 118.679 0.621 19438 11332 1 14 . 1 1 118 118 GLU HA H 118 3.886 3.886 3.974 -0.088 19438 11333 1 14 . 1 1 118 118 GLU C C 118 179.850 179.850 179.263 0.587 19438 11334 1 14 . 1 1 118 118 GLU CA C 118 60.760 60.760 59.688 1.072 19438 11335 1 14 . 1 1 118 118 GLU CB C 118 29.650 29.650 28.977 0.673 19438 11336 1 14 . 1 1 118 118 GLU H H 118 8.657 8.657 8.394 0.263 19438 11337 1 14 . 1 1 119 119 GLU N N 119 119.080 119.080 120.275 -1.195 19438 11338 1 14 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.183 -0.115 19438 11339 1 14 . 1 1 119 119 GLU C C 119 178.670 178.670 178.788 -0.118 19438 11340 1 14 . 1 1 119 119 GLU CA C 119 59.390 59.390 59.157 0.233 19438 11341 1 14 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.483 0.236 19438 11342 1 14 . 1 1 119 119 GLU H H 119 8.596 8.596 8.034 0.562 19438 11343 1 14 . 1 1 120 120 CYS N N 120 117.950 117.950 118.393 -0.443 19438 11344 1 14 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.881 -0.439 19438 11345 1 14 . 1 1 120 120 CYS C C 120 177.280 177.280 177.454 -0.174 19438 11346 1 14 . 1 1 120 120 CYS CA C 120 58.480 58.480 61.026 -2.546 19438 11347 1 14 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.148 13.272 19438 11348 1 14 . 1 1 120 120 CYS H H 120 7.686 7.686 7.684 0.002 19438 11349 1 14 . 1 1 121 121 LEU N N 121 118.000 118.000 121.421 -3.421 19438 11350 1 14 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.267 -0.246 19438 11351 1 14 . 1 1 121 121 LEU C C 121 179.010 179.010 179.246 -0.236 19438 11352 1 14 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.514 0.156 19438 11353 1 14 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.919 -0.539 19438 11354 1 14 . 1 1 121 121 LEU H H 121 8.194 8.194 8.305 -0.111 19438 11355 1 14 . 1 1 122 122 ALA N N 122 119.940 119.940 118.928 1.012 19438 11356 1 14 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.195 0.031 19438 11357 1 14 . 1 1 122 122 ALA C C 122 179.040 179.040 178.492 0.548 19438 11358 1 14 . 1 1 122 122 ALA CA C 122 54.160 54.160 53.740 0.420 19438 11359 1 14 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.740 0.140 19438 11360 1 14 . 1 1 122 122 ALA H H 122 7.974 7.974 8.195 -0.221 19438 11361 1 14 . 1 1 123 123 LYS N N 123 117.940 117.940 117.041 0.899 19438 11362 1 14 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.200 -0.009 19438 11363 1 14 . 1 1 123 123 LYS C C 123 177.770 177.770 177.034 0.736 19438 11364 1 14 . 1 1 123 123 LYS CA C 123 57.710 57.710 54.906 2.804 19438 11365 1 14 . 1 1 123 123 LYS CB C 123 32.570 32.570 32.026 0.544 19438 11366 1 14 . 1 1 123 123 LYS H H 123 7.774 7.774 7.527 0.247 19438 11367 1 14 . 1 1 124 124 GLY N N 124 107.510 107.510 108.896 -1.386 19438 11368 1 14 . 1 1 124 124 GLY C C 124 174.290 174.290 172.868 1.422 19438 11369 1 14 . 1 1 124 124 GLY CA C 124 46.060 46.060 44.912 1.148 19438 11370 1 14 . 1 1 124 124 GLY H H 124 8.084 8.084 7.216 0.868 19438 11371 1 14 . 1 1 125 125 GLU N N 125 120.170 120.170 121.884 -1.714 19438 11372 1 14 . 1 1 125 125 GLU HA H 125 4.318 4.318 3.995 0.323 19438 11373 1 14 . 1 1 125 125 GLU C C 125 176.940 176.940 174.373 2.567 19438 11374 1 14 . 1 1 125 125 GLU CA C 125 56.780 56.780 55.153 1.627 19438 11375 1 14 . 1 1 125 125 GLU CB C 125 30.760 30.760 27.492 3.268 19438 11376 1 14 . 1 1 125 125 GLU H H 125 7.997 7.997 8.357 -0.360 19438 11377 1 14 . 1 1 126 126 LEU N N 126 122.210 122.210 123.195 -0.985 19438 11378 1 14 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.557 -0.247 19438 11379 1 14 . 1 1 126 126 LEU C C 126 177.320 177.320 174.550 2.770 19438 11380 1 14 . 1 1 126 126 LEU CA C 126 55.940 55.940 55.010 0.930 19438 11381 1 14 . 1 1 126 126 LEU CB C 126 42.540 42.540 45.489 -2.949 19438 11382 1 14 . 1 1 126 126 LEU H H 126 8.218 8.218 7.506 0.712 19438 11383 1 14 . 1 1 127 127 ASN N N 127 119.250 119.250 121.868 -2.618 19438 11384 1 14 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.453 0.241 19438 11385 1 14 . 1 1 127 127 ASN C C 127 175.720 175.720 173.043 2.677 19438 11386 1 14 . 1 1 127 127 ASN CA C 127 53.930 53.930 53.930 0.000 19438 11387 1 14 . 1 1 127 127 ASN CB C 127 38.970 38.970 38.623 0.347 19438 11388 1 14 . 1 1 127 127 ASN H H 127 8.445 8.445 8.615 -0.170 19438 11389 1 14 . 1 1 128 128 SER N N 128 116.060 116.060 118.471 -2.411 19438 11390 1 14 . 1 1 128 128 SER HA H 128 4.373 4.373 4.859 -0.486 19438 11391 1 14 . 1 1 128 128 SER C C 128 174.830 174.830 174.185 0.645 19438 11392 1 14 . 1 1 128 128 SER CA C 128 59.120 59.120 57.941 1.179 19438 11393 1 14 . 1 1 128 128 SER CB C 128 63.830 63.830 65.085 -1.255 19438 11394 1 14 . 1 1 128 128 SER H H 128 8.182 8.182 8.576 -0.394 19438 11395 1 14 . 1 1 129 129 LYS N N 129 122.520 122.520 124.009 -1.489 19438 11396 1 14 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.561 -0.203 19438 11397 1 14 . 1 1 129 129 LYS C C 129 176.750 176.750 175.304 1.446 19438 11398 1 14 . 1 1 129 129 LYS CA C 129 56.710 56.710 56.586 0.124 19438 11399 1 14 . 1 1 129 129 LYS CB C 129 32.760 32.760 32.913 -0.153 19438 11400 1 14 . 1 1 129 129 LYS H H 129 8.154 8.154 8.845 -0.691 19438 11401 1 14 . 1 1 130 130 LEU N N 130 122.340 122.340 120.491 1.849 19438 11402 1 14 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.512 -0.184 19438 11403 1 14 . 1 1 130 130 LEU C C 130 177.430 177.430 174.851 2.579 19438 11404 1 14 . 1 1 130 130 LEU CA C 130 57.430 57.430 54.779 2.651 19438 11405 1 14 . 1 1 130 130 LEU CB C 130 42.380 42.380 44.656 -2.276 19438 11406 1 14 . 1 1 130 130 LEU H H 130 8.070 8.070 7.619 0.451 19438 11407 1 14 . 1 1 131 131 GLU N N 131 121.450 121.450 124.382 -2.932 19438 11408 1 14 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.819 -0.524 19438 11409 1 14 . 1 1 131 131 GLU C C 131 176.920 176.920 175.777 1.143 19438 11410 1 14 . 1 1 131 131 GLU CA C 131 56.690 56.690 55.605 1.085 19438 11411 1 14 . 1 1 131 131 GLU CB C 131 30.380 30.380 30.169 0.211 19438 11412 1 14 . 1 1 131 131 GLU H H 131 8.250 8.250 8.685 -0.435 19438 11413 1 14 . 1 1 132 132 GLY N N 132 109.900 109.900 112.128 -2.228 19438 11414 1 14 . 1 1 132 132 GLY C C 132 173.770 173.770 172.296 1.474 19438 11415 1 14 . 1 1 132 132 GLY CA C 132 45.290 45.290 45.174 0.116 19438 11416 1 14 . 1 1 132 132 GLY H H 132 8.334 8.334 8.270 0.064 19438 11417 1 14 . 1 1 133 133 LYS N N 133 121.920 121.920 122.036 -0.116 19438 11418 1 14 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.837 -0.173 19438 11419 1 14 . 1 1 133 133 LYS CA C 133 54.150 54.150 52.908 1.242 19438 11420 1 14 . 1 1 133 133 LYS CB C 133 32.710 32.710 34.128 -1.418 19438 11421 1 14 . 1 1 133 133 LYS H H 133 8.037 8.037 8.394 -0.357 19438 11422 1 14 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.569 -0.118 19438 11423 1 14 . 1 1 134 134 PRO C C 134 176.670 176.670 175.872 0.798 19438 11424 1 14 . 1 1 134 134 PRO CA C 134 62.940 62.940 62.994 -0.054 19438 11425 1 14 . 1 1 134 134 PRO CB C 134 31.890 31.890 32.333 -0.443 19438 11426 1 14 . 1 1 135 135 ILE N N 135 122.710 122.710 125.372 -2.662 19438 11427 1 14 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.494 -0.066 19438 11428 1 14 . 1 1 135 135 ILE CA C 135 58.770 58.770 57.108 1.662 19438 11429 1 14 . 1 1 135 135 ILE CB C 135 38.640 38.640 38.609 0.031 19438 11430 1 14 . 1 1 135 135 ILE H H 135 8.227 8.227 8.449 -0.222 19438 11431 1 14 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.686 -0.314 19438 11432 1 14 . 1 1 136 136 PRO C C 136 176.330 176.330 176.157 0.173 19438 11433 1 14 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.303 0.947 19438 11434 1 14 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.096 -0.086 19438 11435 1 14 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.933 0.008 19438 11436 1 14 . 1 1 137 137 ASN CA C 137 51.270 51.270 50.682 0.588 19438 11437 1 14 . 1 1 137 137 ASN CB C 137 38.670 38.670 38.310 0.360 19438 11438 1 14 . 1 1 137 137 ASN H H 137 8.383 8.383 8.212 0.171 19438 11439 1 14 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.297 0.107 19438 11440 1 14 . 1 1 138 138 PRO C C 138 177.210 177.210 176.627 0.583 19438 11441 1 14 . 1 1 138 138 PRO CA C 138 63.310 63.310 63.979 -0.669 19438 11442 1 14 . 1 1 138 138 PRO CB C 138 32.100 32.100 32.090 0.010 19438 11443 1 14 . 1 1 139 139 LEU N N 139 119.860 119.860 116.902 2.958 19438 11444 1 14 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.168 0.133 19438 11445 1 14 . 1 1 139 139 LEU C C 139 177.640 177.640 175.966 1.674 19438 11446 1 14 . 1 1 139 139 LEU CA C 139 55.610 55.610 54.899 0.711 19438 11447 1 14 . 1 1 139 139 LEU CB C 139 41.540 41.540 42.073 -0.533 19438 11448 1 14 . 1 1 139 139 LEU H H 139 8.096 8.096 7.849 0.247 19438 11449 1 14 . 1 1 140 140 LEU N N 140 121.040 121.040 128.963 -7.923 19438 11450 1 14 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.510 -0.195 19438 11451 1 14 . 1 1 140 140 LEU C C 140 177.840 177.840 175.867 1.973 19438 11452 1 14 . 1 1 140 140 LEU CA C 140 55.370 55.370 54.605 0.765 19438 11453 1 14 . 1 1 140 140 LEU CB C 140 42.390 42.390 41.282 1.108 19438 11454 1 14 . 1 1 140 140 LEU H H 140 7.749 7.749 8.602 -0.853 19438 11455 1 14 . 1 1 141 141 GLY N N 141 108.960 108.960 113.045 -4.085 19438 11456 1 14 . 1 1 141 141 GLY C C 141 174.380 174.380 174.057 0.323 19438 11457 1 14 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.006 0.644 19438 11458 1 14 . 1 1 141 141 GLY H H 141 8.231 8.231 7.973 0.258 19438 11459 1 14 . 1 1 142 142 LEU N N 142 121.470 121.470 121.469 0.001 19438 11460 1 14 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.724 -0.388 19438 11461 1 14 . 1 1 142 142 LEU C C 142 177.390 177.390 175.964 1.426 19438 11462 1 14 . 1 1 142 142 LEU CA C 142 55.630 55.630 53.849 1.780 19438 11463 1 14 . 1 1 142 142 LEU CB C 142 42.600 42.600 42.015 0.585 19438 11464 1 14 . 1 1 142 142 LEU H H 142 8.004 8.004 8.388 -0.384 19438 11465 1 14 . 1 1 143 143 ASP N N 143 120.770 120.770 121.418 -0.648 19438 11466 1 14 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.779 -0.106 19438 11467 1 14 . 1 1 143 143 ASP C C 143 176.870 176.870 175.419 1.451 19438 11468 1 14 . 1 1 143 143 ASP CA C 143 54.400 54.400 53.807 0.593 19438 11469 1 14 . 1 1 143 143 ASP CB C 143 41.170 41.170 40.953 0.216 19438 11470 1 14 . 1 1 143 143 ASP H H 143 8.380 8.380 8.233 0.147 19438 11471 1 14 . 1 1 144 144 SER N N 144 116.820 116.820 122.137 -5.317 19438 11472 1 14 . 1 1 144 144 SER HA H 144 4.413 4.413 4.771 -0.358 19438 11473 1 14 . 1 1 144 144 SER C C 144 175.300 175.300 173.780 1.520 19438 11474 1 14 . 1 1 144 144 SER CA C 144 59.190 59.190 58.022 1.169 19438 11475 1 14 . 1 1 144 144 SER CB C 144 63.770 63.770 63.532 0.238 19438 11476 1 14 . 1 1 144 144 SER H H 144 8.298 8.298 8.287 0.011 19438 11477 1 14 . 1 1 145 145 THR N N 145 114.870 114.870 118.412 -3.542 19438 11478 1 14 . 1 1 145 145 THR HA H 145 4.419 4.419 4.419 0.000 19438 11479 1 14 . 1 1 145 145 THR C C 145 175.070 175.070 173.266 1.804 19438 11480 1 14 . 1 1 145 145 THR CA C 145 62.880 62.880 62.233 0.647 19438 11481 1 14 . 1 1 145 145 THR CB C 145 69.710 69.710 69.886 -0.176 19438 11482 1 14 . 1 1 145 145 THR H H 145 8.208 8.208 8.350 -0.142 19438 11483 1 14 . 1 1 146 146 ARG N N 146 122.450 122.450 126.111 -3.661 19438 11484 1 14 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.744 -0.362 19438 11485 1 14 . 1 1 146 146 ARG C C 146 176.570 176.570 175.053 1.517 19438 11486 1 14 . 1 1 146 146 ARG CA C 146 56.350 56.350 56.128 0.222 19438 11487 1 14 . 1 1 146 146 ARG CB C 146 30.620 30.620 30.444 0.176 19438 11488 1 14 . 1 1 146 146 ARG H H 146 8.122 8.122 8.515 -0.393 19438 11489 1 14 . 1 1 147 147 THR N N 147 113.830 113.830 118.523 -4.693 19438 11490 1 14 . 1 1 147 147 THR HA H 147 4.400 4.400 4.573 -0.173 19438 11491 1 14 . 1 1 147 147 THR C C 147 175.200 175.200 173.777 1.423 19438 11492 1 14 . 1 1 147 147 THR CA C 147 62.110 62.110 61.654 0.456 19438 11493 1 14 . 1 1 147 147 THR CB C 147 69.950 69.950 69.715 0.235 19438 11494 1 14 . 1 1 147 147 THR H H 147 8.039 8.039 8.393 -0.354 19438 11495 1 15 . 1 1 2 2 LYS N N 2 124.740 124.740 123.200 1.540 19438 11496 1 15 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.918 -0.108 19438 11497 1 15 . 1 1 2 2 LYS C C 2 173.640 173.640 175.347 -1.707 19438 11498 1 15 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.051 -1.091 19438 11499 1 15 . 1 1 2 2 LYS CB C 2 34.850 34.850 35.498 -0.648 19438 11500 1 15 . 1 1 2 2 LYS H H 2 8.620 8.620 8.554 0.066 19438 11501 1 15 . 1 1 3 3 TYR N N 3 114.840 114.840 119.154 -4.314 19438 11502 1 15 . 1 1 3 3 TYR HA H 3 5.252 5.252 5.060 0.192 19438 11503 1 15 . 1 1 3 3 TYR C C 3 174.920 174.920 174.467 0.453 19438 11504 1 15 . 1 1 3 3 TYR CA C 3 57.360 57.360 56.992 0.367 19438 11505 1 15 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.933 1.237 19438 11506 1 15 . 1 1 3 3 TYR H H 3 8.927 8.927 9.513 -0.586 19438 11507 1 15 . 1 1 4 4 ASP N N 4 119.790 119.790 121.095 -1.305 19438 11508 1 15 . 1 1 4 4 ASP HA H 4 5.479 5.479 4.975 0.504 19438 11509 1 15 . 1 1 4 4 ASP C C 4 175.780 175.780 174.677 1.103 19438 11510 1 15 . 1 1 4 4 ASP CA C 4 52.900 52.900 52.679 0.221 19438 11511 1 15 . 1 1 4 4 ASP CB C 4 43.970 43.970 43.374 0.596 19438 11512 1 15 . 1 1 4 4 ASP H H 4 9.170 9.170 9.217 -0.047 19438 11513 1 15 . 1 1 5 5 VAL N N 5 122.030 122.030 126.831 -4.801 19438 11514 1 15 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.634 0.088 19438 11515 1 15 . 1 1 5 5 VAL C C 5 174.520 174.520 174.651 -0.131 19438 11516 1 15 . 1 1 5 5 VAL CA C 5 62.100 62.100 61.251 0.849 19438 11517 1 15 . 1 1 5 5 VAL CB C 5 31.720 31.720 32.283 -0.563 19438 11518 1 15 . 1 1 5 5 VAL H H 5 8.733 8.733 8.399 0.334 19438 11519 1 15 . 1 1 6 6 VAL N N 6 128.380 128.380 129.152 -0.772 19438 11520 1 15 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.786 -0.140 19438 11521 1 15 . 1 1 6 6 VAL C C 6 174.330 174.330 174.303 0.027 19438 11522 1 15 . 1 1 6 6 VAL CA C 6 61.750 61.750 60.810 0.940 19438 11523 1 15 . 1 1 6 6 VAL CB C 6 34.060 34.060 32.456 1.604 19438 11524 1 15 . 1 1 6 6 VAL H H 6 9.338 9.338 9.039 0.299 19438 11525 1 15 . 1 1 7 7 ILE N N 7 127.540 127.540 129.287 -1.747 19438 11526 1 15 . 1 1 7 7 ILE HA H 7 5.160 5.160 4.945 0.215 19438 11527 1 15 . 1 1 7 7 ILE C C 7 175.260 175.260 173.530 1.730 19438 11528 1 15 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.675 1.535 19438 11529 1 15 . 1 1 7 7 ILE CB C 7 40.100 40.100 41.021 -0.921 19438 11530 1 15 . 1 1 7 7 ILE H H 7 9.295 9.295 9.149 0.146 19438 11531 1 15 . 1 1 8 8 ILE N N 8 126.500 126.500 129.634 -3.134 19438 11532 1 15 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.672 0.090 19438 11533 1 15 . 1 1 8 8 ILE CA C 8 58.790 58.790 57.442 1.348 19438 11534 1 15 . 1 1 8 8 ILE CB C 8 41.100 41.100 38.703 2.397 19438 11535 1 15 . 1 1 8 8 ILE H H 8 9.573 9.573 9.153 0.420 19438 11536 1 15 . 1 1 9 9 PRO HA H 9 5.325 5.325 4.825 0.500 19438 11537 1 15 . 1 1 9 9 PRO C C 9 174.390 174.390 175.660 -1.270 19438 11538 1 15 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.939 -0.869 19438 11539 1 15 . 1 1 9 9 PRO CB C 9 31.600 31.600 31.930 -0.330 19438 11540 1 15 . 1 1 10 10 GLU N N 10 120.480 120.480 122.225 -1.745 19438 11541 1 15 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.752 0.021 19438 11542 1 15 . 1 1 10 10 GLU C C 10 174.950 174.950 175.314 -0.364 19438 11543 1 15 . 1 1 10 10 GLU CA C 10 55.600 55.600 54.899 0.701 19438 11544 1 15 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.504 0.476 19438 11545 1 15 . 1 1 10 10 GLU H H 10 9.218 9.218 9.211 0.007 19438 11546 1 15 . 1 1 11 11 SER N N 11 117.470 117.470 119.829 -2.359 19438 11547 1 15 . 1 1 11 11 SER HA H 11 4.686 4.686 4.463 0.223 19438 11548 1 15 . 1 1 11 11 SER C C 11 174.460 174.460 174.824 -0.364 19438 11549 1 15 . 1 1 11 11 SER CA C 11 57.490 57.490 59.015 -1.525 19438 11550 1 15 . 1 1 11 11 SER CB C 11 64.820 64.820 63.794 1.026 19438 11551 1 15 . 1 1 11 11 SER H H 11 8.595 8.595 8.617 -0.022 19438 11552 1 15 . 1 1 12 12 PHE N N 12 122.760 122.760 124.885 -2.125 19438 11553 1 15 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.517 0.154 19438 11554 1 15 . 1 1 12 12 PHE C C 12 175.440 175.440 174.558 0.882 19438 11555 1 15 . 1 1 12 12 PHE CA C 12 58.580 58.580 56.261 2.319 19438 11556 1 15 . 1 1 12 12 PHE CB C 12 39.940 39.940 38.084 1.856 19438 11557 1 15 . 1 1 12 12 PHE H H 12 8.298 8.298 8.195 0.103 19438 11558 1 15 . 1 1 13 13 HIS N N 13 120.600 120.600 124.846 -4.246 19438 11559 1 15 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.864 -0.249 19438 11560 1 15 . 1 1 13 13 HIS C C 13 174.530 174.530 174.492 0.038 19438 11561 1 15 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.543 0.067 19438 11562 1 15 . 1 1 13 13 HIS CB C 13 31.000 31.000 33.324 -2.324 19438 11563 1 15 . 1 1 13 13 HIS H H 13 8.243 8.243 8.249 -0.006 19438 11564 1 15 . 1 1 14 14 ARG N N 14 122.290 122.290 124.314 -2.024 19438 11565 1 15 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.424 -0.205 19438 11566 1 15 . 1 1 14 14 ARG C C 14 176.070 176.070 175.884 0.186 19438 11567 1 15 . 1 1 14 14 ARG CA C 14 56.580 56.580 55.821 0.759 19438 11568 1 15 . 1 1 14 14 ARG CB C 14 30.790 30.790 31.007 -0.217 19438 11569 1 15 . 1 1 14 14 ARG H H 14 8.320 8.320 8.861 -0.541 19438 11570 1 15 . 1 1 15 15 PHE N N 15 120.220 120.220 125.741 -5.521 19438 11571 1 15 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.463 0.233 19438 11572 1 15 . 1 1 15 15 PHE C C 15 175.550 175.550 175.953 -0.403 19438 11573 1 15 . 1 1 15 15 PHE CA C 15 57.630 57.630 57.269 0.361 19438 11574 1 15 . 1 1 15 15 PHE CB C 15 39.920 39.920 39.030 0.890 19438 11575 1 15 . 1 1 15 15 PHE H H 15 8.409 8.409 8.707 -0.298 19438 11576 1 15 . 1 1 16 16 ASP N N 16 121.370 121.370 126.752 -5.382 19438 11577 1 15 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.795 -0.244 19438 11578 1 15 . 1 1 16 16 ASP C C 16 176.590 176.590 175.789 0.801 19438 11579 1 15 . 1 1 16 16 ASP CA C 16 54.180 54.180 54.060 0.120 19438 11580 1 15 . 1 1 16 16 ASP CB C 16 41.410 41.410 42.557 -1.147 19438 11581 1 15 . 1 1 16 16 ASP H H 16 8.397 8.397 8.434 -0.037 19438 11582 1 15 . 1 1 17 17 LYS N N 17 119.880 119.880 119.350 0.530 19438 11583 1 15 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.358 -0.191 19438 11584 1 15 . 1 1 17 17 LYS C C 17 176.550 176.550 176.790 -0.240 19438 11585 1 15 . 1 1 17 17 LYS CA C 17 57.110 57.110 57.620 -0.510 19438 11586 1 15 . 1 1 17 17 LYS CB C 17 32.420 32.420 33.761 -1.341 19438 11587 1 15 . 1 1 17 17 LYS H H 17 8.188 8.188 8.701 -0.513 19438 11588 1 15 . 1 1 18 18 HIS N N 18 118.390 118.390 116.557 1.833 19438 11589 1 15 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.735 -0.085 19438 11590 1 15 . 1 1 18 18 HIS C C 18 175.020 175.020 173.545 1.475 19438 11591 1 15 . 1 1 18 18 HIS CA C 18 56.260 56.260 57.081 -0.821 19438 11592 1 15 . 1 1 18 18 HIS CB C 18 30.010 30.010 33.134 -3.124 19438 11593 1 15 . 1 1 18 18 HIS H H 18 8.339 8.339 8.109 0.230 19438 11594 1 15 . 1 1 19 19 ASN N N 19 118.700 118.700 117.600 1.100 19438 11595 1 15 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.788 -0.116 19438 11596 1 15 . 1 1 19 19 ASN C C 19 175.170 175.170 174.351 0.819 19438 11597 1 15 . 1 1 19 19 ASN CA C 19 53.800 53.800 53.021 0.779 19438 11598 1 15 . 1 1 19 19 ASN CB C 19 38.730 38.730 40.782 -2.052 19438 11599 1 15 . 1 1 19 19 ASN H H 19 8.287 8.287 7.864 0.423 19438 11600 1 15 . 1 1 20 20 MET N N 20 120.140 120.140 119.055 1.085 19438 11601 1 15 . 1 1 20 20 MET HA H 20 4.475 4.475 3.997 0.478 19438 11602 1 15 . 1 1 20 20 MET C C 20 176.470 176.470 173.230 3.240 19438 11603 1 15 . 1 1 20 20 MET CA C 20 55.640 55.640 56.139 -0.499 19438 11604 1 15 . 1 1 20 20 MET CB C 20 33.500 33.500 30.704 2.796 19438 11605 1 15 . 1 1 20 20 MET H H 20 8.495 8.495 8.288 0.207 19438 11606 1 15 . 1 1 21 21 GLU N N 21 120.920 120.920 117.553 3.367 19438 11607 1 15 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.276 -0.075 19438 11608 1 15 . 1 1 21 21 GLU C C 21 176.380 176.380 173.997 2.383 19438 11609 1 15 . 1 1 21 21 GLU CA C 21 57.330 57.330 54.919 2.411 19438 11610 1 15 . 1 1 21 21 GLU CB C 21 30.080 30.080 31.382 -1.302 19438 11611 1 15 . 1 1 21 21 GLU H H 21 8.450 8.450 7.624 0.826 19438 11612 1 15 . 1 1 22 22 HIS N N 22 119.650 119.650 122.739 -3.089 19438 11613 1 15 . 1 1 22 22 HIS HA H 22 4.687 4.687 4.684 0.003 19438 11614 1 15 . 1 1 22 22 HIS C C 22 174.470 174.470 172.871 1.599 19438 11615 1 15 . 1 1 22 22 HIS CA C 22 55.980 55.980 56.180 -0.200 19438 11616 1 15 . 1 1 22 22 HIS CB C 22 30.530 30.530 32.373 -1.843 19438 11617 1 15 . 1 1 22 22 HIS H H 22 8.334 8.334 7.791 0.543 19438 11618 1 15 . 1 1 23 23 ILE N N 23 121.910 121.910 124.831 -2.921 19438 11619 1 15 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.227 -0.076 19438 11620 1 15 . 1 1 23 23 ILE C C 23 175.870 175.870 173.798 2.072 19438 11621 1 15 . 1 1 23 23 ILE CA C 23 61.170 61.170 59.030 2.140 19438 11622 1 15 . 1 1 23 23 ILE CB C 23 38.850 38.850 42.075 -3.225 19438 11623 1 15 . 1 1 23 23 ILE H H 23 7.782 7.782 7.932 -0.150 19438 11624 1 15 . 1 1 24 24 CYS N N 24 124.920 124.920 124.957 -0.037 19438 11625 1 15 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.709 0.085 19438 11626 1 15 . 1 1 24 24 CYS CA C 24 53.130 53.130 55.873 -2.743 19438 11627 1 15 . 1 1 24 24 CYS CB C 24 42.470 42.470 27.408 15.062 19438 11628 1 15 . 1 1 24 24 CYS H H 24 8.697 8.697 8.345 0.352 19438 11629 1 15 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.458 0.272 19438 11630 1 15 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.404 0.350 19438 11631 1 15 . 1 1 26 26 PRO C C 26 175.820 175.820 176.259 -0.439 19438 11632 1 15 . 1 1 26 26 PRO CA C 26 62.580 62.580 63.368 -0.788 19438 11633 1 15 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.261 0.329 19438 11634 1 15 . 1 1 27 27 MET N N 27 120.580 120.580 124.417 -3.837 19438 11635 1 15 . 1 1 27 27 MET HA H 27 5.180 5.180 4.896 0.284 19438 11636 1 15 . 1 1 27 27 MET C C 27 174.810 174.810 174.950 -0.140 19438 11637 1 15 . 1 1 27 27 MET CA C 27 53.270 53.270 55.261 -1.991 19438 11638 1 15 . 1 1 27 27 MET CB C 27 34.580 34.580 35.620 -1.040 19438 11639 1 15 . 1 1 27 27 MET H H 27 9.055 9.055 9.087 -0.032 19438 11640 1 15 . 1 1 28 28 VAL N N 28 122.030 122.030 122.383 -0.353 19438 11641 1 15 . 1 1 28 28 VAL HA H 28 5.093 5.093 4.830 0.263 19438 11642 1 15 . 1 1 28 28 VAL C C 28 175.710 175.710 174.448 1.262 19438 11643 1 15 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.787 -1.137 19438 11644 1 15 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.198 1.272 19438 11645 1 15 . 1 1 28 28 VAL H H 28 8.575 8.575 8.655 -0.080 19438 11646 1 15 . 1 1 29 29 ILE N N 29 129.440 129.440 127.647 1.793 19438 11647 1 15 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.464 -0.098 19438 11648 1 15 . 1 1 29 29 ILE C C 29 176.490 176.490 174.801 1.689 19438 11649 1 15 . 1 1 29 29 ILE CA C 29 61.260 61.260 60.520 0.740 19438 11650 1 15 . 1 1 29 29 ILE CB C 29 37.960 37.960 39.808 -1.848 19438 11651 1 15 . 1 1 29 29 ILE H H 29 9.200 9.200 9.041 0.159 19438 11652 1 15 . 1 1 30 30 GLY N N 30 112.580 112.580 112.134 0.446 19438 11653 1 15 . 1 1 30 30 GLY C C 30 175.350 175.350 173.649 1.701 19438 11654 1 15 . 1 1 30 30 GLY CA C 30 46.110 46.110 43.236 2.874 19438 11655 1 15 . 1 1 30 30 GLY H H 30 8.525 8.525 8.296 0.228 19438 11656 1 15 . 1 1 31 31 ASP N N 31 121.320 121.320 119.571 1.749 19438 11657 1 15 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.332 -0.229 19438 11658 1 15 . 1 1 31 31 ASP C C 31 175.530 175.530 175.053 0.477 19438 11659 1 15 . 1 1 31 31 ASP CA C 31 55.530 55.530 55.178 0.352 19438 11660 1 15 . 1 1 31 31 ASP CB C 31 39.620 39.620 40.420 -0.800 19438 11661 1 15 . 1 1 31 31 ASP H H 31 9.133 9.133 8.233 0.900 19438 11662 1 15 . 1 1 32 32 ARG N N 32 117.600 117.600 120.795 -3.195 19438 11663 1 15 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.805 0.226 19438 11664 1 15 . 1 1 32 32 ARG C C 32 177.060 177.060 174.661 2.399 19438 11665 1 15 . 1 1 32 32 ARG CA C 32 52.790 52.790 53.836 -1.046 19438 11666 1 15 . 1 1 32 32 ARG CB C 32 34.650 34.650 34.565 0.085 19438 11667 1 15 . 1 1 32 32 ARG H H 32 9.529 9.529 7.841 1.688 19438 11668 1 15 . 1 1 33 33 SER N N 33 116.150 116.150 116.652 -0.502 19438 11669 1 15 . 1 1 33 33 SER HA H 33 4.819 4.819 4.694 0.125 19438 11670 1 15 . 1 1 33 33 SER C C 33 174.290 174.290 175.495 -1.205 19438 11671 1 15 . 1 1 33 33 SER CA C 33 58.130 58.130 57.640 0.490 19438 11672 1 15 . 1 1 33 33 SER CB C 33 64.530 64.530 64.458 0.072 19438 11673 1 15 . 1 1 33 33 SER H H 33 8.400 8.400 8.460 -0.060 19438 11674 1 15 . 1 1 34 34 TYR N N 34 122.110 122.110 122.955 -0.845 19438 11675 1 15 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.424 -0.039 19438 11676 1 15 . 1 1 34 34 TYR C C 34 176.280 176.280 177.090 -0.810 19438 11677 1 15 . 1 1 34 34 TYR CA C 34 63.060 63.060 62.646 0.414 19438 11678 1 15 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.470 -0.120 19438 11679 1 15 . 1 1 34 34 TYR H H 34 9.456 9.456 9.247 0.209 19438 11680 1 15 . 1 1 35 35 ASP N N 35 114.640 114.640 117.989 -3.349 19438 11681 1 15 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.204 -0.138 19438 11682 1 15 . 1 1 35 35 ASP C C 35 179.460 179.460 178.481 0.979 19438 11683 1 15 . 1 1 35 35 ASP CA C 35 57.380 57.380 57.486 -0.105 19438 11684 1 15 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.284 -0.444 19438 11685 1 15 . 1 1 35 35 ASP H H 35 8.611 8.611 8.630 -0.019 19438 11686 1 15 . 1 1 36 36 ILE N N 36 120.860 120.860 120.548 0.312 19438 11687 1 15 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.913 -0.065 19438 11688 1 15 . 1 1 36 36 ILE C C 36 178.000 178.000 177.976 0.024 19438 11689 1 15 . 1 1 36 36 ILE CA C 36 62.660 62.660 64.878 -2.218 19438 11690 1 15 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.634 -0.934 19438 11691 1 15 . 1 1 36 36 ILE H H 36 7.298 7.298 7.743 -0.445 19438 11692 1 15 . 1 1 37 37 ALA N N 37 123.260 123.260 122.928 0.332 19438 11693 1 15 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.912 -0.180 19438 11694 1 15 . 1 1 37 37 ALA C C 37 179.720 179.720 179.384 0.336 19438 11695 1 15 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.341 0.379 19438 11696 1 15 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.318 -0.338 19438 11697 1 15 . 1 1 37 37 ALA H H 37 8.906 8.906 8.440 0.466 19438 11698 1 15 . 1 1 38 38 MET N N 38 114.900 114.900 117.768 -2.868 19438 11699 1 15 . 1 1 38 38 MET HA H 38 4.282 4.282 4.030 0.252 19438 11700 1 15 . 1 1 38 38 MET C C 38 178.940 178.940 178.662 0.278 19438 11701 1 15 . 1 1 38 38 MET CA C 38 55.940 55.940 57.312 -1.372 19438 11702 1 15 . 1 1 38 38 MET CB C 38 29.570 29.570 31.120 -1.550 19438 11703 1 15 . 1 1 38 38 MET H H 38 8.237 8.237 7.787 0.450 19438 11704 1 15 . 1 1 39 39 GLU N N 39 120.020 120.020 120.011 0.009 19438 11705 1 15 . 1 1 39 39 GLU HA H 39 4.101 4.101 4.060 0.041 19438 11706 1 15 . 1 1 39 39 GLU C C 39 180.880 180.880 179.581 1.299 19438 11707 1 15 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.276 0.354 19438 11708 1 15 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.634 -0.584 19438 11709 1 15 . 1 1 39 39 GLU H H 39 7.517 7.517 8.420 -0.903 19438 11710 1 15 . 1 1 40 40 ILE N N 40 122.000 122.000 120.832 1.168 19438 11711 1 15 . 1 1 40 40 ILE HA H 40 3.710 3.710 4.135 -0.425 19438 11712 1 15 . 1 1 40 40 ILE C C 40 177.890 177.890 177.453 0.437 19438 11713 1 15 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.812 0.428 19438 11714 1 15 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.219 -1.319 19438 11715 1 15 . 1 1 40 40 ILE H H 40 8.220 8.220 8.155 0.065 19438 11716 1 15 . 1 1 41 41 VAL N N 41 120.760 120.760 120.732 0.028 19438 11717 1 15 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.620 -0.234 19438 11718 1 15 . 1 1 41 41 VAL C C 41 179.090 179.090 178.341 0.749 19438 11719 1 15 . 1 1 41 41 VAL CA C 41 67.860 67.860 66.642 1.218 19438 11720 1 15 . 1 1 41 41 VAL CB C 41 31.330 31.330 30.873 0.457 19438 11721 1 15 . 1 1 41 41 VAL H H 41 8.737 8.737 8.422 0.315 19438 11722 1 15 . 1 1 42 42 ASN N N 42 119.950 119.950 118.424 1.526 19438 11723 1 15 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.666 -0.059 19438 11724 1 15 . 1 1 42 42 ASN C C 42 178.080 178.080 177.925 0.155 19438 11725 1 15 . 1 1 42 42 ASN CA C 42 55.880 55.880 55.876 0.004 19438 11726 1 15 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.066 -0.577 19438 11727 1 15 . 1 1 42 42 ASN H H 42 8.542 8.542 8.855 -0.313 19438 11728 1 15 . 1 1 43 43 GLY N N 43 112.070 112.070 109.595 2.475 19438 11729 1 15 . 1 1 43 43 GLY C C 43 176.070 176.070 176.102 -0.032 19438 11730 1 15 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.171 0.419 19438 11731 1 15 . 1 1 43 43 GLY H H 43 8.387 8.387 7.993 0.394 19438 11732 1 15 . 1 1 44 44 VAL N N 44 122.900 122.900 122.127 0.773 19438 11733 1 15 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.611 -0.084 19438 11734 1 15 . 1 1 44 44 VAL C C 44 176.700 176.700 177.327 -0.627 19438 11735 1 15 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.631 0.209 19438 11736 1 15 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.326 -0.076 19438 11737 1 15 . 1 1 44 44 VAL H H 44 9.078 9.078 8.175 0.903 19438 11738 1 15 . 1 1 45 45 ASP N N 45 119.070 119.070 119.677 -0.607 19438 11739 1 15 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.170 0.022 19438 11740 1 15 . 1 1 45 45 ASP C C 45 176.540 176.540 178.271 -1.731 19438 11741 1 15 . 1 1 45 45 ASP CA C 45 58.490 58.490 58.137 0.353 19438 11742 1 15 . 1 1 45 45 ASP CB C 45 42.940 42.940 40.968 1.972 19438 11743 1 15 . 1 1 45 45 ASP H H 45 7.745 7.745 8.406 -0.661 19438 11744 1 15 . 1 1 46 46 ARG N N 46 115.750 115.750 119.674 -3.924 19438 11745 1 15 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.151 -0.157 19438 11746 1 15 . 1 1 46 46 ARG C C 46 179.760 179.760 178.989 0.771 19438 11747 1 15 . 1 1 46 46 ARG CA C 46 59.630 59.630 59.229 0.401 19438 11748 1 15 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.321 -0.131 19438 11749 1 15 . 1 1 46 46 ARG H H 46 7.557 7.557 7.766 -0.209 19438 11750 1 15 . 1 1 47 47 VAL N N 47 118.740 118.740 119.581 -0.841 19438 11751 1 15 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.738 0.174 19438 11752 1 15 . 1 1 47 47 VAL C C 47 179.150 179.150 178.297 0.853 19438 11753 1 15 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.314 -0.274 19438 11754 1 15 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.869 -0.099 19438 11755 1 15 . 1 1 47 47 VAL H H 47 8.187 8.187 7.587 0.600 19438 11756 1 15 . 1 1 48 48 ILE N N 48 122.340 122.340 121.261 1.079 19438 11757 1 15 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.743 -0.046 19438 11758 1 15 . 1 1 48 48 ILE C C 48 178.130 178.130 177.947 0.183 19438 11759 1 15 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.807 0.833 19438 11760 1 15 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.567 -0.937 19438 11761 1 15 . 1 1 48 48 ILE H H 48 8.786 8.786 8.458 0.328 19438 11762 1 15 . 1 1 49 49 LYS N N 49 116.860 116.860 118.275 -1.415 19438 11763 1 15 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.244 -0.185 19438 11764 1 15 . 1 1 49 49 LYS C C 49 178.120 178.120 178.073 0.047 19438 11765 1 15 . 1 1 49 49 LYS CA C 49 60.270 60.270 58.897 1.373 19438 11766 1 15 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.361 0.739 19438 11767 1 15 . 1 1 49 49 LYS H H 49 7.785 7.785 8.398 -0.613 19438 11768 1 15 . 1 1 50 50 ALA N N 50 117.520 117.520 120.777 -3.257 19438 11769 1 15 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.367 -0.011 19438 11770 1 15 . 1 1 50 50 ALA C C 50 179.940 179.940 178.277 1.663 19438 11771 1 15 . 1 1 50 50 ALA CA C 50 53.960 53.960 53.823 0.137 19438 11772 1 15 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.380 -0.020 19438 11773 1 15 . 1 1 50 50 ALA H H 50 7.740 7.740 7.711 0.029 19438 11774 1 15 . 1 1 51 51 SER N N 51 111.860 111.860 113.324 -1.464 19438 11775 1 15 . 1 1 51 51 SER HA H 51 4.287 4.287 4.417 -0.130 19438 11776 1 15 . 1 1 51 51 SER C C 51 172.840 172.840 173.806 -0.966 19438 11777 1 15 . 1 1 51 51 SER CA C 51 60.610 60.610 60.592 0.019 19438 11778 1 15 . 1 1 51 51 SER CB C 51 64.500 64.500 64.788 -0.288 19438 11779 1 15 . 1 1 51 51 SER H H 51 7.957 7.957 8.221 -0.264 19438 11780 1 15 . 1 1 52 52 PHE N N 52 116.210 116.210 118.222 -2.012 19438 11781 1 15 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.851 -0.074 19438 11782 1 15 . 1 1 52 52 PHE C C 52 174.210 174.210 174.702 -0.492 19438 11783 1 15 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.832 -0.542 19438 11784 1 15 . 1 1 52 52 PHE CB C 52 42.580 42.580 42.582 -0.002 19438 11785 1 15 . 1 1 52 52 PHE H H 52 7.901 7.901 8.167 -0.266 19438 11786 1 15 . 1 1 53 53 ASN N N 53 117.890 117.890 120.262 -2.372 19438 11787 1 15 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.922 -0.020 19438 11788 1 15 . 1 1 53 53 ASN C C 53 175.120 175.120 173.460 1.660 19438 11789 1 15 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.176 1.774 19438 11790 1 15 . 1 1 53 53 ASN CB C 53 37.550 37.550 39.959 -2.409 19438 11791 1 15 . 1 1 53 53 ASN H H 53 8.205 8.205 8.958 -0.753 19438 11792 1 15 . 1 1 54 54 ALA N N 54 125.300 125.300 128.159 -2.859 19438 11793 1 15 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.627 -0.186 19438 11794 1 15 . 1 1 54 54 ALA C C 54 176.800 176.800 176.490 0.310 19438 11795 1 15 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.611 0.949 19438 11796 1 15 . 1 1 54 54 ALA CB C 54 24.080 24.080 22.230 1.850 19438 11797 1 15 . 1 1 54 54 ALA H H 54 8.246 8.246 8.443 -0.197 19438 11798 1 15 . 1 1 55 55 SER N N 55 115.850 115.850 118.813 -2.963 19438 11799 1 15 . 1 1 55 55 SER HA H 55 4.789 4.789 4.859 -0.070 19438 11800 1 15 . 1 1 55 55 SER C C 55 172.830 172.830 173.367 -0.537 19438 11801 1 15 . 1 1 55 55 SER CA C 55 57.200 57.200 56.864 0.336 19438 11802 1 15 . 1 1 55 55 SER CB C 55 65.460 65.460 64.553 0.907 19438 11803 1 15 . 1 1 55 55 SER H H 55 8.606 8.606 8.703 -0.097 19438 11804 1 15 . 1 1 56 56 VAL N N 56 121.700 121.700 127.072 -5.372 19438 11805 1 15 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.292 0.502 19438 11806 1 15 . 1 1 56 56 VAL C C 56 173.160 173.160 175.060 -1.900 19438 11807 1 15 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.825 -0.815 19438 11808 1 15 . 1 1 56 56 VAL CB C 56 35.570 35.570 33.644 1.926 19438 11809 1 15 . 1 1 56 56 VAL H H 56 8.648 8.648 8.767 -0.119 19438 11810 1 15 . 1 1 57 57 GLU N N 57 126.130 126.130 130.249 -4.119 19438 11811 1 15 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.654 -0.142 19438 11812 1 15 . 1 1 57 57 GLU C C 57 174.090 174.090 174.670 -0.580 19438 11813 1 15 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.483 0.067 19438 11814 1 15 . 1 1 57 57 GLU CB C 57 33.910 33.910 32.509 1.401 19438 11815 1 15 . 1 1 57 57 GLU H H 57 8.122 8.122 9.003 -0.881 19438 11816 1 15 . 1 1 58 58 GLU N N 58 124.740 124.740 125.893 -1.153 19438 11817 1 15 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.726 -0.039 19438 11818 1 15 . 1 1 58 58 GLU C C 58 175.410 175.410 175.695 -0.285 19438 11819 1 15 . 1 1 58 58 GLU CA C 58 55.990 55.990 56.046 -0.056 19438 11820 1 15 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.500 -0.170 19438 11821 1 15 . 1 1 58 58 GLU H H 58 8.610 8.610 8.769 -0.159 19438 11822 1 15 . 1 1 59 59 LEU N N 59 126.780 126.780 126.042 0.738 19438 11823 1 15 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.686 0.025 19438 11824 1 15 . 1 1 59 59 LEU C C 59 175.970 175.970 176.458 -0.488 19438 11825 1 15 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.246 0.534 19438 11826 1 15 . 1 1 59 59 LEU CB C 59 45.320 45.320 45.251 0.069 19438 11827 1 15 . 1 1 59 59 LEU H H 59 8.259 8.259 9.107 -0.848 19438 11828 1 15 . 1 1 60 60 GLU N N 60 119.810 119.810 119.684 0.126 19438 11829 1 15 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.448 -0.100 19438 11830 1 15 . 1 1 60 60 GLU C C 60 177.560 177.560 176.674 0.886 19438 11831 1 15 . 1 1 60 60 GLU CA C 60 57.340 57.340 55.506 1.834 19438 11832 1 15 . 1 1 60 60 GLU CB C 60 30.260 30.260 30.576 -0.316 19438 11833 1 15 . 1 1 60 60 GLU H H 60 8.258 8.258 8.441 -0.183 19438 11834 1 15 . 1 1 61 61 GLY N N 61 117.720 117.720 109.422 8.298 19438 11835 1 15 . 1 1 61 61 GLY C C 61 174.320 174.320 173.061 1.259 19438 11836 1 15 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.433 0.137 19438 11837 1 15 . 1 1 61 61 GLY H H 61 8.726 8.726 8.433 0.293 19438 11838 1 15 . 1 1 62 62 GLU N N 62 121.700 121.700 119.337 2.363 19438 11839 1 15 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.452 0.079 19438 11840 1 15 . 1 1 62 62 GLU C C 62 177.690 177.690 176.654 1.036 19438 11841 1 15 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.244 -0.694 19438 11842 1 15 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.721 0.579 19438 11843 1 15 . 1 1 62 62 GLU H H 62 9.337 9.337 8.122 1.215 19438 11844 1 15 . 1 1 63 63 ASP N N 63 120.760 120.760 123.812 -3.052 19438 11845 1 15 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.280 0.050 19438 11846 1 15 . 1 1 63 63 ASP C C 63 178.080 178.080 175.462 2.618 19438 11847 1 15 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.167 0.763 19438 11848 1 15 . 1 1 63 63 ASP CB C 63 40.770 40.770 39.808 0.962 19438 11849 1 15 . 1 1 63 63 ASP H H 63 8.632 8.632 9.047 -0.415 19438 11850 1 15 . 1 1 64 64 CYS N N 64 113.520 113.520 121.151 -7.631 19438 11851 1 15 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.605 -0.173 19438 11852 1 15 . 1 1 64 64 CYS C C 64 173.700 173.700 173.769 -0.069 19438 11853 1 15 . 1 1 64 64 CYS CA C 64 57.170 57.170 57.241 -0.071 19438 11854 1 15 . 1 1 64 64 CYS CB C 64 41.210 41.210 28.392 12.818 19438 11855 1 15 . 1 1 64 64 CYS H H 64 7.962 7.962 8.146 -0.184 19438 11856 1 15 . 1 1 65 65 ASP N N 65 120.200 120.200 123.428 -3.228 19438 11857 1 15 . 1 1 65 65 ASP HA H 65 5.190 5.190 4.933 0.257 19438 11858 1 15 . 1 1 65 65 ASP C C 65 176.540 176.540 176.528 0.012 19438 11859 1 15 . 1 1 65 65 ASP CA C 65 54.310 54.310 54.398 -0.088 19438 11860 1 15 . 1 1 65 65 ASP CB C 65 41.150 41.150 40.949 0.201 19438 11861 1 15 . 1 1 65 65 ASP H H 65 7.936 7.936 8.155 -0.219 19438 11862 1 15 . 1 1 66 66 VAL N N 66 122.070 122.070 122.819 -0.749 19438 11863 1 15 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.049 0.218 19438 11864 1 15 . 1 1 66 66 VAL C C 66 176.000 176.000 175.763 0.237 19438 11865 1 15 . 1 1 66 66 VAL CA C 66 63.190 63.190 63.829 -0.639 19438 11866 1 15 . 1 1 66 66 VAL CB C 66 32.430 32.430 32.696 -0.266 19438 11867 1 15 . 1 1 66 66 VAL H H 66 9.431 9.431 8.981 0.450 19438 11868 1 15 . 1 1 67 67 LEU N N 67 119.700 119.700 119.174 0.526 19438 11869 1 15 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.699 -0.060 19438 11870 1 15 . 1 1 67 67 LEU C C 67 174.400 174.400 173.830 0.570 19438 11871 1 15 . 1 1 67 67 LEU CA C 67 55.100 55.100 54.301 0.799 19438 11872 1 15 . 1 1 67 67 LEU CB C 67 46.020 46.020 45.855 0.165 19438 11873 1 15 . 1 1 67 67 LEU H H 67 7.625 7.625 7.521 0.104 19438 11874 1 15 . 1 1 68 68 TYR N N 68 126.330 126.330 127.611 -1.281 19438 11875 1 15 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.363 0.487 19438 11876 1 15 . 1 1 68 68 TYR C C 68 173.460 173.460 173.094 0.366 19438 11877 1 15 . 1 1 68 68 TYR CA C 68 54.660 54.660 55.564 -0.904 19438 11878 1 15 . 1 1 68 68 TYR CB C 68 38.140 38.140 40.792 -2.652 19438 11879 1 15 . 1 1 68 68 TYR H H 68 9.086 9.086 9.388 -0.302 19438 11880 1 15 . 1 1 69 69 ARG N N 69 127.440 127.440 127.712 -0.272 19438 11881 1 15 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.310 -0.450 19438 11882 1 15 . 1 1 69 69 ARG C C 69 173.030 173.030 174.931 -1.901 19438 11883 1 15 . 1 1 69 69 ARG CA C 69 54.430 54.430 53.947 0.483 19438 11884 1 15 . 1 1 69 69 ARG CB C 69 35.030 35.030 32.255 2.775 19438 11885 1 15 . 1 1 69 69 ARG H H 69 9.569 9.569 9.431 0.138 19438 11886 1 15 . 1 1 70 70 LYS N N 70 122.850 122.850 127.509 -4.659 19438 11887 1 15 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.134 -0.129 19438 11888 1 15 . 1 1 70 70 LYS C C 70 175.830 175.830 174.939 0.891 19438 11889 1 15 . 1 1 70 70 LYS CA C 70 54.690 54.690 55.407 -0.717 19438 11890 1 15 . 1 1 70 70 LYS CB C 70 36.040 36.040 34.555 1.485 19438 11891 1 15 . 1 1 70 70 LYS H H 70 8.612 8.612 9.056 -0.444 19438 11892 1 15 . 1 1 71 71 TYR N N 71 129.420 129.420 127.799 1.621 19438 11893 1 15 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.338 -0.036 19438 11894 1 15 . 1 1 71 71 TYR C C 71 175.710 175.710 176.015 -0.305 19438 11895 1 15 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.798 0.162 19438 11896 1 15 . 1 1 71 71 TYR CB C 71 40.330 40.330 40.404 -0.074 19438 11897 1 15 . 1 1 71 71 TYR H H 71 9.762 9.762 9.487 0.275 19438 11898 1 15 . 1 1 72 72 THR N N 72 119.820 119.820 121.675 -1.855 19438 11899 1 15 . 1 1 72 72 THR HA H 72 4.707 4.707 4.615 0.092 19438 11900 1 15 . 1 1 72 72 THR C C 72 173.860 173.860 173.634 0.226 19438 11901 1 15 . 1 1 72 72 THR CA C 72 63.250 63.250 63.050 0.200 19438 11902 1 15 . 1 1 72 72 THR CB C 72 69.370 69.370 69.286 0.084 19438 11903 1 15 . 1 1 72 72 THR H H 72 8.845 8.845 9.341 -0.496 19438 11904 1 15 . 1 1 73 73 LEU N N 73 125.420 125.420 129.105 -3.685 19438 11905 1 15 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.421 -0.292 19438 11906 1 15 . 1 1 73 73 LEU C C 73 175.760 175.760 175.557 0.203 19438 11907 1 15 . 1 1 73 73 LEU CA C 73 54.080 54.080 53.680 0.400 19438 11908 1 15 . 1 1 73 73 LEU CB C 73 45.350 45.350 43.891 1.459 19438 11909 1 15 . 1 1 73 73 LEU H H 73 8.929 8.929 9.166 -0.237 19438 11910 1 15 . 1 1 74 74 GLU N N 74 120.090 120.090 123.168 -3.078 19438 11911 1 15 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.483 -0.269 19438 11912 1 15 . 1 1 74 74 GLU C C 74 175.400 175.400 174.784 0.616 19438 11913 1 15 . 1 1 74 74 GLU CA C 74 55.740 55.740 54.777 0.963 19438 11914 1 15 . 1 1 74 74 GLU CB C 74 33.040 33.040 34.132 -1.092 19438 11915 1 15 . 1 1 74 74 GLU H H 74 8.311 8.311 9.259 -0.949 19438 11916 1 15 . 1 1 75 75 LYS N N 75 124.230 124.230 124.677 -0.447 19438 11917 1 15 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.998 -0.525 19438 11918 1 15 . 1 1 75 75 LYS C C 75 175.380 175.380 175.853 -0.473 19438 11919 1 15 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.872 2.188 19438 11920 1 15 . 1 1 75 75 LYS CB C 75 35.740 35.740 34.009 1.731 19438 11921 1 15 . 1 1 75 75 LYS H H 75 8.691 8.691 9.267 -0.576 19438 11922 1 15 . 1 1 76 76 GLU N N 76 127.760 127.760 124.675 3.085 19438 11923 1 15 . 1 1 76 76 GLU HA H 76 3.903 3.903 3.997 -0.094 19438 11924 1 15 . 1 1 76 76 GLU C C 76 176.190 176.190 176.210 -0.020 19438 11925 1 15 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.457 -0.007 19438 11926 1 15 . 1 1 76 76 GLU CB C 76 27.830 27.830 27.270 0.560 19438 11927 1 15 . 1 1 76 76 GLU H H 76 9.556 9.556 9.964 -0.408 19438 11928 1 15 . 1 1 77 77 GLY N N 77 106.560 106.560 107.477 -0.917 19438 11929 1 15 . 1 1 77 77 GLY C C 77 174.320 174.320 174.294 0.026 19438 11930 1 15 . 1 1 77 77 GLY CA C 77 45.640 45.640 45.010 0.630 19438 11931 1 15 . 1 1 77 77 GLY H H 77 8.928 8.928 8.523 0.405 19438 11932 1 15 . 1 1 78 78 LYS N N 78 121.600 121.600 124.376 -2.776 19438 11933 1 15 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.391 0.194 19438 11934 1 15 . 1 1 78 78 LYS C C 78 175.240 175.240 175.427 -0.187 19438 11935 1 15 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.748 -0.368 19438 11936 1 15 . 1 1 78 78 LYS CB C 78 33.490 33.490 32.834 0.656 19438 11937 1 15 . 1 1 78 78 LYS H H 78 8.015 8.015 7.997 0.018 19438 11938 1 15 . 1 1 79 79 LYS N N 79 120.990 120.990 122.340 -1.350 19438 11939 1 15 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.236 -0.037 19438 11940 1 15 . 1 1 79 79 LYS C C 79 176.150 176.150 175.053 1.097 19438 11941 1 15 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.082 0.988 19438 11942 1 15 . 1 1 79 79 LYS CB C 79 35.080 35.080 36.806 -1.726 19438 11943 1 15 . 1 1 79 79 LYS H H 79 8.438 8.438 8.316 0.122 19438 11944 1 15 . 1 1 80 80 GLY N N 80 107.840 107.840 107.391 0.449 19438 11945 1 15 . 1 1 80 80 GLY C C 80 170.430 170.430 171.058 -0.628 19438 11946 1 15 . 1 1 80 80 GLY CA C 80 45.260 45.260 44.521 0.739 19438 11947 1 15 . 1 1 80 80 GLY H H 80 8.391 8.391 8.308 0.083 19438 11948 1 15 . 1 1 81 81 ILE N N 81 120.670 120.670 119.481 1.189 19438 11949 1 15 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.097 0.185 19438 11950 1 15 . 1 1 81 81 ILE C C 81 175.210 175.210 173.429 1.781 19438 11951 1 15 . 1 1 81 81 ILE CA C 81 58.640 58.640 58.699 -0.059 19438 11952 1 15 . 1 1 81 81 ILE CB C 81 42.420 42.420 42.541 -0.121 19438 11953 1 15 . 1 1 81 81 ILE H H 81 8.623 8.623 8.754 -0.131 19438 11954 1 15 . 1 1 82 82 VAL N N 82 121.970 121.970 128.532 -6.562 19438 11955 1 15 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.607 0.107 19438 11956 1 15 . 1 1 82 82 VAL C C 82 174.230 174.230 174.519 -0.289 19438 11957 1 15 . 1 1 82 82 VAL CA C 82 61.010 61.010 60.417 0.593 19438 11958 1 15 . 1 1 82 82 VAL CB C 82 35.260 35.260 32.623 2.636 19438 11959 1 15 . 1 1 82 82 VAL H H 82 8.967 8.967 9.188 -0.221 19438 11960 1 15 . 1 1 83 83 HIS N N 83 129.690 129.690 127.823 1.867 19438 11961 1 15 . 1 1 83 83 HIS HA H 83 5.219 5.219 4.996 0.223 19438 11962 1 15 . 1 1 83 83 HIS C C 83 174.960 174.960 174.269 0.691 19438 11963 1 15 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.860 0.580 19438 11964 1 15 . 1 1 83 83 HIS CB C 83 32.240 32.240 30.235 2.005 19438 11965 1 15 . 1 1 83 83 HIS H H 83 8.960 8.960 9.164 -0.204 19438 11966 1 15 . 1 1 84 84 VAL N N 84 125.620 125.620 126.867 -1.247 19438 11967 1 15 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.575 0.551 19438 11968 1 15 . 1 1 84 84 VAL C C 84 174.590 174.590 174.462 0.128 19438 11969 1 15 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.670 0.560 19438 11970 1 15 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.468 1.552 19438 11971 1 15 . 1 1 84 84 VAL H H 84 9.834 9.834 9.191 0.643 19438 11972 1 15 . 1 1 85 85 LYS N N 85 125.370 125.370 126.482 -1.112 19438 11973 1 15 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.491 -0.027 19438 11974 1 15 . 1 1 85 85 LYS C C 85 174.890 174.890 175.307 -0.417 19438 11975 1 15 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.642 0.568 19438 11976 1 15 . 1 1 85 85 LYS CB C 85 36.430 36.430 35.691 0.739 19438 11977 1 15 . 1 1 85 85 LYS H H 85 9.517 9.517 9.233 0.284 19438 11978 1 15 . 1 1 86 86 LEU N N 86 123.830 123.830 124.367 -0.537 19438 11979 1 15 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.769 0.378 19438 11980 1 15 . 1 1 86 86 LEU C C 86 174.760 174.760 175.495 -0.735 19438 11981 1 15 . 1 1 86 86 LEU CA C 86 54.210 54.210 53.898 0.312 19438 11982 1 15 . 1 1 86 86 LEU CB C 86 44.830 44.830 42.797 2.033 19438 11983 1 15 . 1 1 86 86 LEU H H 86 8.400 8.400 9.132 -0.732 19438 11984 1 15 . 1 1 87 87 ARG N N 87 128.610 128.610 125.356 3.254 19438 11985 1 15 . 1 1 87 87 ARG HA H 87 5.473 5.473 4.653 0.820 19438 11986 1 15 . 1 1 87 87 ARG C C 87 176.130 176.130 174.688 1.442 19438 11987 1 15 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.745 0.225 19438 11988 1 15 . 1 1 87 87 ARG CB C 87 34.230 34.230 33.272 0.958 19438 11989 1 15 . 1 1 87 87 ARG H H 87 9.647 9.647 9.289 0.358 19438 11990 1 15 . 1 1 88 88 LYS N N 88 122.810 122.810 128.020 -5.210 19438 11991 1 15 . 1 1 88 88 LYS HA H 88 4.138 4.138 3.712 0.426 19438 11992 1 15 . 1 1 88 88 LYS C C 88 174.890 174.890 175.306 -0.416 19438 11993 1 15 . 1 1 88 88 LYS CA C 88 56.330 56.330 56.099 0.231 19438 11994 1 15 . 1 1 88 88 LYS CB C 88 34.310 34.310 32.845 1.465 19438 11995 1 15 . 1 1 88 88 LYS H H 88 8.510 8.510 8.187 0.323 19438 11996 1 15 . 1 1 89 89 ILE N N 89 120.880 120.880 130.430 -9.550 19438 11997 1 15 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.346 0.285 19438 11998 1 15 . 1 1 89 89 ILE C C 89 176.400 176.400 174.020 2.380 19438 11999 1 15 . 1 1 89 89 ILE CA C 89 60.670 60.670 60.665 0.005 19438 12000 1 15 . 1 1 89 89 ILE CB C 89 36.720 36.720 38.512 -1.792 19438 12001 1 15 . 1 1 89 89 ILE H H 89 7.470 7.470 8.034 -0.564 19438 12002 1 15 . 1 1 90 90 THR N N 90 116.610 116.610 124.333 -7.723 19438 12003 1 15 . 1 1 90 90 THR HA H 90 4.700 4.700 4.547 0.153 19438 12004 1 15 . 1 1 90 90 THR CA C 90 59.100 59.100 60.325 -1.225 19438 12005 1 15 . 1 1 90 90 THR CB C 90 72.600 72.600 71.491 1.109 19438 12006 1 15 . 1 1 90 90 THR H H 90 7.701 7.701 7.809 -0.108 19438 12007 1 15 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.131 -0.101 19438 12008 1 15 . 1 1 91 91 GLU C C 91 177.100 177.100 176.798 0.302 19438 12009 1 15 . 1 1 91 91 GLU CA C 91 59.640 59.640 59.299 0.341 19438 12010 1 15 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.326 -0.276 19438 12011 1 15 . 1 1 92 92 ASN N N 92 113.650 113.650 114.403 -0.753 19438 12012 1 15 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.760 -0.060 19438 12013 1 15 . 1 1 92 92 ASN C C 92 174.100 174.100 174.342 -0.242 19438 12014 1 15 . 1 1 92 92 ASN CA C 92 53.490 53.490 53.249 0.241 19438 12015 1 15 . 1 1 92 92 ASN CB C 92 39.270 39.270 38.908 0.362 19438 12016 1 15 . 1 1 92 92 ASN H H 92 7.915 7.915 8.165 -0.250 19438 12017 1 15 . 1 1 93 93 CYS N N 93 120.190 120.190 120.072 0.118 19438 12018 1 15 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.918 0.158 19438 12019 1 15 . 1 1 93 93 CYS CA C 93 52.610 52.610 56.115 -3.505 19438 12020 1 15 . 1 1 93 93 CYS CB C 93 42.090 42.090 29.548 12.542 19438 12021 1 15 . 1 1 93 93 CYS H H 93 7.514 7.514 7.731 -0.217 19438 12022 1 15 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.736 0.054 19438 12023 1 15 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.378 0.122 19438 12024 1 15 . 1 1 95 95 PRO C C 95 177.770 177.770 176.067 1.703 19438 12025 1 15 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.530 0.210 19438 12026 1 15 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.506 -0.406 19438 12027 1 15 . 1 1 96 96 VAL N N 96 123.600 123.600 120.132 3.468 19438 12028 1 15 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.201 -0.254 19438 12029 1 15 . 1 1 96 96 VAL C C 96 175.780 175.780 175.757 0.023 19438 12030 1 15 . 1 1 96 96 VAL CA C 96 62.100 62.100 61.253 0.847 19438 12031 1 15 . 1 1 96 96 VAL CB C 96 32.580 32.580 32.557 0.023 19438 12032 1 15 . 1 1 96 96 VAL H H 96 9.071 9.071 8.098 0.973 19438 12033 1 15 . 1 1 97 97 ASP N N 97 125.400 125.400 123.079 2.321 19438 12034 1 15 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.737 -0.067 19438 12035 1 15 . 1 1 97 97 ASP C C 97 175.410 175.410 175.127 0.283 19438 12036 1 15 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.321 0.689 19438 12037 1 15 . 1 1 97 97 ASP CB C 97 41.580 41.580 41.995 -0.415 19438 12038 1 15 . 1 1 97 97 ASP H H 97 8.313 8.313 8.451 -0.138 19438 12039 1 15 . 1 1 98 98 GLY N N 98 108.310 108.310 111.541 -3.231 19438 12040 1 15 . 1 1 98 98 GLY C C 98 173.140 173.140 173.323 -0.183 19438 12041 1 15 . 1 1 98 98 GLY CA C 98 45.270 45.270 45.109 0.161 19438 12042 1 15 . 1 1 98 98 GLY H H 98 7.838 7.838 8.129 -0.291 19438 12043 1 15 . 1 1 99 99 ASN N N 99 120.050 120.050 120.800 -0.750 19438 12044 1 15 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.595 0.587 19438 12045 1 15 . 1 1 99 99 ASN C C 99 174.700 174.700 174.886 -0.186 19438 12046 1 15 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.333 -0.213 19438 12047 1 15 . 1 1 99 99 ASN CB C 99 39.360 39.360 38.468 0.892 19438 12048 1 15 . 1 1 99 99 ASN H H 99 8.685 8.685 8.481 0.204 19438 12049 1 15 . 1 1 100 100 ARG N N 100 121.100 121.100 126.142 -5.042 19438 12050 1 15 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.883 0.026 19438 12051 1 15 . 1 1 100 100 ARG C C 100 176.930 176.930 175.806 1.124 19438 12052 1 15 . 1 1 100 100 ARG CA C 100 55.810 55.810 56.553 -0.744 19438 12053 1 15 . 1 1 100 100 ARG CB C 100 31.710 31.710 30.453 1.257 19438 12054 1 15 . 1 1 100 100 ARG H H 100 8.502 8.502 7.877 0.625 19438 12055 1 15 . 1 1 101 101 CYS N N 101 121.180 121.180 125.886 -4.706 19438 12056 1 15 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.603 0.103 19438 12057 1 15 . 1 1 101 101 CYS CA C 101 55.270 55.270 57.667 -2.397 19438 12058 1 15 . 1 1 101 101 CYS H H 101 8.607 8.607 8.499 0.108 19438 12059 1 15 . 1 1 102 102 SER HA H 102 4.565 4.565 4.442 0.123 19438 12060 1 15 . 1 1 102 102 SER C C 102 174.220 174.220 173.838 0.382 19438 12061 1 15 . 1 1 102 102 SER CA C 102 57.900 57.900 58.775 -0.875 19438 12062 1 15 . 1 1 102 102 SER CB C 102 63.700 63.700 62.965 0.735 19438 12063 1 15 . 1 1 103 103 VAL N N 103 122.910 122.910 126.750 -3.840 19438 12064 1 15 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.035 0.187 19438 12065 1 15 . 1 1 103 103 VAL C C 103 175.070 175.070 175.526 -0.456 19438 12066 1 15 . 1 1 103 103 VAL CA C 103 62.440 62.440 62.891 -0.451 19438 12067 1 15 . 1 1 103 103 VAL H H 103 8.332 8.332 8.373 -0.041 19438 12068 1 15 . 1 1 104 104 LEU N N 104 125.940 125.940 125.265 0.675 19438 12069 1 15 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.670 -0.257 19438 12070 1 15 . 1 1 104 104 LEU C C 104 177.220 177.220 175.615 1.605 19438 12071 1 15 . 1 1 104 104 LEU CA C 104 55.930 55.930 52.918 3.012 19438 12072 1 15 . 1 1 104 104 LEU CB C 104 42.890 42.890 44.855 -1.965 19438 12073 1 15 . 1 1 104 104 LEU H H 104 8.831 8.831 8.014 0.817 19438 12074 1 15 . 1 1 105 105 GLU N N 105 120.540 120.540 120.159 0.381 19438 12075 1 15 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.225 0.186 19438 12076 1 15 . 1 1 105 105 GLU C C 105 175.400 175.400 177.656 -2.256 19438 12077 1 15 . 1 1 105 105 GLU CA C 105 55.890 55.890 56.528 -0.638 19438 12078 1 15 . 1 1 105 105 GLU CB C 105 30.460 30.460 30.501 -0.041 19438 12079 1 15 . 1 1 105 105 GLU H H 105 8.070 8.070 8.185 -0.115 19438 12080 1 15 . 1 1 106 106 PHE N N 106 124.060 124.060 125.956 -1.896 19438 12081 1 15 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.041 0.020 19438 12082 1 15 . 1 1 106 106 PHE C C 106 175.880 175.880 177.105 -1.225 19438 12083 1 15 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.969 0.150 19438 12084 1 15 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.144 0.526 19438 12085 1 15 . 1 1 106 106 PHE H H 106 8.666 8.666 9.075 -0.409 19438 12086 1 15 . 1 1 107 107 GLU N N 107 117.290 117.290 118.387 -1.097 19438 12087 1 15 . 1 1 107 107 GLU HA H 107 3.886 3.886 4.109 -0.223 19438 12088 1 15 . 1 1 107 107 GLU C C 107 178.050 178.050 179.332 -1.282 19438 12089 1 15 . 1 1 107 107 GLU CA C 107 59.360 59.360 60.346 -0.986 19438 12090 1 15 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.317 0.013 19438 12091 1 15 . 1 1 107 107 GLU H H 107 8.932 8.932 8.893 0.039 19438 12092 1 15 . 1 1 108 108 ARG N N 108 117.240 117.240 117.390 -0.150 19438 12093 1 15 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.390 -0.082 19438 12094 1 15 . 1 1 108 108 ARG C C 108 177.930 177.930 178.743 -0.813 19438 12095 1 15 . 1 1 108 108 ARG CA C 108 57.120 57.120 58.876 -1.756 19438 12096 1 15 . 1 1 108 108 ARG CB C 108 31.110 31.110 30.300 0.810 19438 12097 1 15 . 1 1 108 108 ARG H H 108 7.533 7.533 8.280 -0.747 19438 12098 1 15 . 1 1 109 109 ASP N N 109 120.040 120.040 120.776 -0.736 19438 12099 1 15 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.416 0.184 19438 12100 1 15 . 1 1 109 109 ASP C C 109 177.980 177.980 178.016 -0.036 19438 12101 1 15 . 1 1 109 109 ASP CA C 109 56.810 56.810 56.771 0.039 19438 12102 1 15 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.734 0.766 19438 12103 1 15 . 1 1 109 109 ASP H H 109 8.295 8.295 7.415 0.880 19438 12104 1 15 . 1 1 110 110 ILE N N 110 118.710 118.710 120.621 -1.911 19438 12105 1 15 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.588 0.206 19438 12106 1 15 . 1 1 110 110 ILE C C 110 176.740 176.740 177.157 -0.417 19438 12107 1 15 . 1 1 110 110 ILE CA C 110 61.850 61.850 64.598 -2.748 19438 12108 1 15 . 1 1 110 110 ILE CB C 110 37.030 37.030 38.011 -0.981 19438 12109 1 15 . 1 1 110 110 ILE H H 110 8.081 8.081 8.364 -0.283 19438 12110 1 15 . 1 1 111 111 GLU N N 111 121.140 121.140 120.128 1.012 19438 12111 1 15 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.906 0.056 19438 12112 1 15 . 1 1 111 111 GLU C C 111 177.400 177.400 178.808 -1.408 19438 12113 1 15 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.745 -0.145 19438 12114 1 15 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.215 0.085 19438 12115 1 15 . 1 1 111 111 GLU H H 111 7.558 7.558 8.473 -0.915 19438 12116 1 15 . 1 1 112 112 CYS N N 112 117.380 117.380 119.697 -2.317 19438 12117 1 15 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.226 -0.123 19438 12118 1 15 . 1 1 112 112 CYS C C 112 176.570 176.570 177.088 -0.518 19438 12119 1 15 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.713 -3.423 19438 12120 1 15 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.189 15.721 19438 12121 1 15 . 1 1 112 112 CYS H H 112 7.739 7.739 7.840 -0.101 19438 12122 1 15 . 1 1 113 113 ILE N N 113 118.520 118.520 121.175 -2.655 19438 12123 1 15 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.728 0.105 19438 12124 1 15 . 1 1 113 113 ILE C C 113 177.220 177.220 178.583 -1.363 19438 12125 1 15 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.511 -0.101 19438 12126 1 15 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.641 0.789 19438 12127 1 15 . 1 1 113 113 ILE H H 113 7.682 7.682 7.829 -0.147 19438 12128 1 15 . 1 1 114 114 VAL N N 114 120.390 120.390 120.100 0.290 19438 12129 1 15 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.361 0.107 19438 12130 1 15 . 1 1 114 114 VAL C C 114 177.970 177.970 177.688 0.282 19438 12131 1 15 . 1 1 114 114 VAL CA C 114 67.960 67.960 67.259 0.701 19438 12132 1 15 . 1 1 114 114 VAL CB C 114 31.730 31.730 31.271 0.459 19438 12133 1 15 . 1 1 114 114 VAL H H 114 7.765 7.765 8.453 -0.688 19438 12134 1 15 . 1 1 115 115 LYS N N 115 118.840 118.840 120.616 -1.776 19438 12135 1 15 . 1 1 115 115 LYS HA H 115 4.129 4.129 4.174 -0.045 19438 12136 1 15 . 1 1 115 115 LYS C C 115 178.870 178.870 178.594 0.276 19438 12137 1 15 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.645 -0.345 19438 12138 1 15 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.331 -0.421 19438 12139 1 15 . 1 1 115 115 LYS H H 115 8.314 8.314 8.470 -0.156 19438 12140 1 15 . 1 1 116 116 ALA N N 116 121.000 121.000 122.214 -1.214 19438 12141 1 15 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.063 0.163 19438 12142 1 15 . 1 1 116 116 ALA C C 116 181.600 181.600 179.721 1.879 19438 12143 1 15 . 1 1 116 116 ALA CA C 116 55.320 55.320 54.985 0.335 19438 12144 1 15 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.334 0.316 19438 12145 1 15 . 1 1 116 116 ALA H H 116 7.427 7.427 7.521 -0.094 19438 12146 1 15 . 1 1 117 117 ILE N N 117 120.090 120.090 119.362 0.728 19438 12147 1 15 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.494 -0.181 19438 12148 1 15 . 1 1 117 117 ILE C C 117 177.630 177.630 177.839 -0.209 19438 12149 1 15 . 1 1 117 117 ILE CA C 117 66.510 66.510 64.799 1.711 19438 12150 1 15 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.356 0.504 19438 12151 1 15 . 1 1 117 117 ILE H H 117 8.121 8.121 7.971 0.150 19438 12152 1 15 . 1 1 118 118 GLU N N 118 119.300 119.300 119.626 -0.326 19438 12153 1 15 . 1 1 118 118 GLU HA H 118 3.886 3.886 3.975 -0.089 19438 12154 1 15 . 1 1 118 118 GLU C C 118 179.850 179.850 179.363 0.487 19438 12155 1 15 . 1 1 118 118 GLU CA C 118 60.760 60.760 60.035 0.725 19438 12156 1 15 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.340 0.310 19438 12157 1 15 . 1 1 118 118 GLU H H 118 8.657 8.657 8.599 0.058 19438 12158 1 15 . 1 1 119 119 GLU N N 119 119.080 119.080 119.960 -0.880 19438 12159 1 15 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.075 -0.007 19438 12160 1 15 . 1 1 119 119 GLU C C 119 178.670 178.670 178.801 -0.131 19438 12161 1 15 . 1 1 119 119 GLU CA C 119 59.390 59.390 59.403 -0.013 19438 12162 1 15 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.698 0.022 19438 12163 1 15 . 1 1 119 119 GLU H H 119 8.596 8.596 8.409 0.188 19438 12164 1 15 . 1 1 120 120 CYS N N 120 117.950 117.950 119.445 -1.495 19438 12165 1 15 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.498 -0.056 19438 12166 1 15 . 1 1 120 120 CYS C C 120 177.280 177.280 177.251 0.029 19438 12167 1 15 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.475 -3.995 19438 12168 1 15 . 1 1 120 120 CYS CB C 120 39.420 39.420 25.798 13.622 19438 12169 1 15 . 1 1 120 120 CYS H H 120 7.686 7.686 8.279 -0.593 19438 12170 1 15 . 1 1 121 121 LEU N N 121 118.000 118.000 121.180 -3.180 19438 12171 1 15 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.212 -0.191 19438 12172 1 15 . 1 1 121 121 LEU C C 121 179.010 179.010 179.618 -0.608 19438 12173 1 15 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.721 -0.051 19438 12174 1 15 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.698 -0.318 19438 12175 1 15 . 1 1 121 121 LEU H H 121 8.194 8.194 8.210 -0.016 19438 12176 1 15 . 1 1 122 122 ALA N N 122 119.940 119.940 120.281 -0.341 19438 12177 1 15 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.205 0.021 19438 12178 1 15 . 1 1 122 122 ALA C C 122 179.040 179.040 178.404 0.636 19438 12179 1 15 . 1 1 122 122 ALA CA C 122 54.160 54.160 54.390 -0.230 19438 12180 1 15 . 1 1 122 122 ALA CB C 122 18.880 18.880 19.047 -0.167 19438 12181 1 15 . 1 1 122 122 ALA H H 122 7.974 7.974 8.278 -0.304 19438 12182 1 15 . 1 1 123 123 LYS N N 123 117.940 117.940 118.470 -0.530 19438 12183 1 15 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.322 -0.131 19438 12184 1 15 . 1 1 123 123 LYS C C 123 177.770 177.770 176.733 1.037 19438 12185 1 15 . 1 1 123 123 LYS CA C 123 57.710 57.710 55.173 2.537 19438 12186 1 15 . 1 1 123 123 LYS CB C 123 32.570 32.570 32.762 -0.192 19438 12187 1 15 . 1 1 123 123 LYS H H 123 7.774 7.774 8.471 -0.697 19438 12188 1 15 . 1 1 124 124 GLY N N 124 107.510 107.510 109.204 -1.694 19438 12189 1 15 . 1 1 124 124 GLY C C 124 174.290 174.290 173.341 0.949 19438 12190 1 15 . 1 1 124 124 GLY CA C 124 46.060 46.060 45.343 0.717 19438 12191 1 15 . 1 1 124 124 GLY H H 124 8.084 8.084 7.454 0.630 19438 12192 1 15 . 1 1 125 125 GLU N N 125 120.170 120.170 120.762 -0.592 19438 12193 1 15 . 1 1 125 125 GLU HA H 125 4.318 4.318 4.248 0.070 19438 12194 1 15 . 1 1 125 125 GLU C C 125 176.940 176.940 173.864 3.076 19438 12195 1 15 . 1 1 125 125 GLU CA C 125 56.780 56.780 56.371 0.409 19438 12196 1 15 . 1 1 125 125 GLU CB C 125 30.760 30.760 31.257 -0.497 19438 12197 1 15 . 1 1 125 125 GLU H H 125 7.997 7.997 8.046 -0.049 19438 12198 1 15 . 1 1 126 126 LEU N N 126 122.210 122.210 122.545 -0.335 19438 12199 1 15 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.636 -0.326 19438 12200 1 15 . 1 1 126 126 LEU C C 126 177.320 177.320 174.325 2.995 19438 12201 1 15 . 1 1 126 126 LEU CA C 126 55.940 55.940 52.867 3.074 19438 12202 1 15 . 1 1 126 126 LEU CB C 126 42.540 42.540 46.753 -4.213 19438 12203 1 15 . 1 1 126 126 LEU H H 126 8.218 8.218 8.045 0.173 19438 12204 1 15 . 1 1 127 127 ASN N N 127 119.250 119.250 115.672 3.578 19438 12205 1 15 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.887 -0.193 19438 12206 1 15 . 1 1 127 127 ASN C C 127 175.720 175.720 175.219 0.501 19438 12207 1 15 . 1 1 127 127 ASN CA C 127 53.930 53.930 51.714 2.216 19438 12208 1 15 . 1 1 127 127 ASN CB C 127 38.970 38.970 40.406 -1.435 19438 12209 1 15 . 1 1 127 127 ASN H H 127 8.445 8.445 8.322 0.123 19438 12210 1 15 . 1 1 128 128 SER N N 128 116.060 116.060 113.503 2.557 19438 12211 1 15 . 1 1 128 128 SER HA H 128 4.373 4.373 4.186 0.187 19438 12212 1 15 . 1 1 128 128 SER C C 128 174.830 174.830 173.376 1.454 19438 12213 1 15 . 1 1 128 128 SER CA C 128 59.120 59.120 60.068 -0.948 19438 12214 1 15 . 1 1 128 128 SER CB C 128 63.830 63.830 62.292 1.538 19438 12215 1 15 . 1 1 128 128 SER H H 128 8.182 8.182 8.890 -0.708 19438 12216 1 15 . 1 1 129 129 LYS N N 129 122.520 122.520 120.557 1.963 19438 12217 1 15 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.449 -0.091 19438 12218 1 15 . 1 1 129 129 LYS C C 129 176.750 176.750 175.396 1.354 19438 12219 1 15 . 1 1 129 129 LYS CA C 129 56.710 56.710 54.459 2.251 19438 12220 1 15 . 1 1 129 129 LYS CB C 129 32.760 32.760 33.575 -0.815 19438 12221 1 15 . 1 1 129 129 LYS H H 129 8.154 8.154 8.633 -0.479 19438 12222 1 15 . 1 1 130 130 LEU N N 130 122.340 122.340 126.861 -4.521 19438 12223 1 15 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.466 -0.138 19438 12224 1 15 . 1 1 130 130 LEU C C 130 177.430 177.430 176.557 0.873 19438 12225 1 15 . 1 1 130 130 LEU CA C 130 57.430 57.430 54.889 2.541 19438 12226 1 15 . 1 1 130 130 LEU CB C 130 42.380 42.380 43.384 -1.004 19438 12227 1 15 . 1 1 130 130 LEU H H 130 8.070 8.070 8.398 -0.328 19438 12228 1 15 . 1 1 131 131 GLU N N 131 121.450 121.450 123.050 -1.600 19438 12229 1 15 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.170 0.125 19438 12230 1 15 . 1 1 131 131 GLU C C 131 176.920 176.920 175.671 1.249 19438 12231 1 15 . 1 1 131 131 GLU CA C 131 56.690 56.690 56.672 0.018 19438 12232 1 15 . 1 1 131 131 GLU CB C 131 30.380 30.380 30.329 0.051 19438 12233 1 15 . 1 1 131 131 GLU H H 131 8.250 8.250 8.618 -0.368 19438 12234 1 15 . 1 1 132 132 GLY N N 132 109.900 109.900 109.477 0.423 19438 12235 1 15 . 1 1 132 132 GLY C C 132 173.770 173.770 174.058 -0.288 19438 12236 1 15 . 1 1 132 132 GLY CA C 132 45.290 45.290 45.330 -0.040 19438 12237 1 15 . 1 1 132 132 GLY H H 132 8.334 8.334 8.643 -0.309 19438 12238 1 15 . 1 1 133 133 LYS N N 133 121.920 121.920 121.983 -0.063 19438 12239 1 15 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.910 -0.246 19438 12240 1 15 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.120 1.030 19438 12241 1 15 . 1 1 133 133 LYS CB C 133 32.710 32.710 34.160 -1.450 19438 12242 1 15 . 1 1 133 133 LYS H H 133 8.037 8.037 7.933 0.104 19438 12243 1 15 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.467 -0.016 19438 12244 1 15 . 1 1 134 134 PRO C C 134 176.670 176.670 175.887 0.783 19438 12245 1 15 . 1 1 134 134 PRO CA C 134 62.940 62.940 62.846 0.094 19438 12246 1 15 . 1 1 134 134 PRO CB C 134 31.890 31.890 32.126 -0.236 19438 12247 1 15 . 1 1 135 135 ILE N N 135 122.710 122.710 125.681 -2.971 19438 12248 1 15 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.492 -0.064 19438 12249 1 15 . 1 1 135 135 ILE CA C 135 58.770 58.770 56.964 1.806 19438 12250 1 15 . 1 1 135 135 ILE CB C 135 38.640 38.640 39.733 -1.093 19438 12251 1 15 . 1 1 135 135 ILE H H 135 8.227 8.227 7.969 0.258 19438 12252 1 15 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.490 -0.118 19438 12253 1 15 . 1 1 136 136 PRO C C 136 176.330 176.330 175.679 0.651 19438 12254 1 15 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.383 0.868 19438 12255 1 15 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.653 -0.643 19438 12256 1 15 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.833 0.108 19438 12257 1 15 . 1 1 137 137 ASN CA C 137 51.270 51.270 50.280 0.990 19438 12258 1 15 . 1 1 137 137 ASN CB C 137 38.670 38.670 39.358 -0.688 19438 12259 1 15 . 1 1 137 137 ASN H H 137 8.383 8.383 8.315 0.068 19438 12260 1 15 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.640 -0.236 19438 12261 1 15 . 1 1 138 138 PRO C C 138 177.210 177.210 175.565 1.645 19438 12262 1 15 . 1 1 138 138 PRO CA C 138 63.310 63.310 62.820 0.490 19438 12263 1 15 . 1 1 138 138 PRO CB C 138 32.100 32.100 30.323 1.777 19438 12264 1 15 . 1 1 139 139 LEU N N 139 119.860 119.860 121.562 -1.702 19438 12265 1 15 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.621 -0.320 19438 12266 1 15 . 1 1 139 139 LEU C C 139 177.640 177.640 175.403 2.237 19438 12267 1 15 . 1 1 139 139 LEU CA C 139 55.610 55.610 53.804 1.806 19438 12268 1 15 . 1 1 139 139 LEU CB C 139 41.540 41.540 43.822 -2.281 19438 12269 1 15 . 1 1 139 139 LEU H H 139 8.096 8.096 7.669 0.427 19438 12270 1 15 . 1 1 140 140 LEU N N 140 121.040 121.040 121.926 -0.886 19438 12271 1 15 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.681 -0.366 19438 12272 1 15 . 1 1 140 140 LEU C C 140 177.840 177.840 176.759 1.081 19438 12273 1 15 . 1 1 140 140 LEU CA C 140 55.370 55.370 54.241 1.129 19438 12274 1 15 . 1 1 140 140 LEU CB C 140 42.390 42.390 41.056 1.334 19438 12275 1 15 . 1 1 140 140 LEU H H 140 7.749 7.749 8.380 -0.631 19438 12276 1 15 . 1 1 141 141 GLY N N 141 108.960 108.960 112.065 -3.105 19438 12277 1 15 . 1 1 141 141 GLY C C 141 174.380 174.380 173.763 0.617 19438 12278 1 15 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.005 0.645 19438 12279 1 15 . 1 1 141 141 GLY H H 141 8.231 8.231 8.464 -0.233 19438 12280 1 15 . 1 1 142 142 LEU N N 142 121.470 121.470 124.200 -2.730 19438 12281 1 15 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.649 -0.313 19438 12282 1 15 . 1 1 142 142 LEU C C 142 177.390 177.390 175.426 1.964 19438 12283 1 15 . 1 1 142 142 LEU CA C 142 55.630 55.630 54.259 1.371 19438 12284 1 15 . 1 1 142 142 LEU CB C 142 42.600 42.600 43.303 -0.703 19438 12285 1 15 . 1 1 142 142 LEU H H 142 8.004 8.004 8.187 -0.183 19438 12286 1 15 . 1 1 143 143 ASP N N 143 120.770 120.770 125.814 -5.044 19438 12287 1 15 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.786 -0.113 19438 12288 1 15 . 1 1 143 143 ASP C C 143 176.870 176.870 174.619 2.251 19438 12289 1 15 . 1 1 143 143 ASP CA C 143 54.400 54.400 53.756 0.644 19438 12290 1 15 . 1 1 143 143 ASP CB C 143 41.170 41.170 43.638 -2.468 19438 12291 1 15 . 1 1 143 143 ASP H H 143 8.380 8.380 8.464 -0.084 19438 12292 1 15 . 1 1 144 144 SER N N 144 116.820 116.820 118.690 -1.870 19438 12293 1 15 . 1 1 144 144 SER HA H 144 4.413 4.413 4.609 -0.196 19438 12294 1 15 . 1 1 144 144 SER C C 144 175.300 175.300 173.331 1.969 19438 12295 1 15 . 1 1 144 144 SER CA C 144 59.190 59.190 57.726 1.464 19438 12296 1 15 . 1 1 144 144 SER CB C 144 63.770 63.770 63.052 0.718 19438 12297 1 15 . 1 1 144 144 SER H H 144 8.298 8.298 8.524 -0.226 19438 12298 1 15 . 1 1 145 145 THR N N 145 114.870 114.870 113.836 1.034 19438 12299 1 15 . 1 1 145 145 THR HA H 145 4.419 4.419 4.379 0.040 19438 12300 1 15 . 1 1 145 145 THR C C 145 175.070 175.070 174.509 0.561 19438 12301 1 15 . 1 1 145 145 THR CA C 145 62.880 62.880 61.069 1.812 19438 12302 1 15 . 1 1 145 145 THR CB C 145 69.710 69.710 69.680 0.030 19438 12303 1 15 . 1 1 145 145 THR H H 145 8.208 8.208 7.696 0.512 19438 12304 1 15 . 1 1 146 146 ARG N N 146 122.450 122.450 127.936 -5.486 19438 12305 1 15 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.088 0.294 19438 12306 1 15 . 1 1 146 146 ARG C C 146 176.570 176.570 176.178 0.392 19438 12307 1 15 . 1 1 146 146 ARG CA C 146 56.350 56.350 56.857 -0.507 19438 12308 1 15 . 1 1 146 146 ARG CB C 146 30.620 30.620 30.101 0.519 19438 12309 1 15 . 1 1 146 146 ARG H H 146 8.122 8.122 8.665 -0.543 19438 12310 1 15 . 1 1 147 147 THR N N 147 113.830 113.830 123.476 -9.646 19438 12311 1 15 . 1 1 147 147 THR HA H 147 4.400 4.400 4.209 0.191 19438 12312 1 15 . 1 1 147 147 THR C C 147 175.200 175.200 174.641 0.559 19438 12313 1 15 . 1 1 147 147 THR CA C 147 62.110 62.110 63.292 -1.182 19438 12314 1 15 . 1 1 147 147 THR CB C 147 69.950 69.950 69.276 0.674 19438 12315 1 15 . 1 1 147 147 THR H H 147 8.039 8.039 8.787 -0.748 19438 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 135 2.907 1.221 2.648 19438 2 1 1 "Average Difference" HA 155 0.258 0.014 0.259 19438 3 1 1 "Average Difference" C 136 1.053 -0.401 0.977 19438 4 1 1 "Average Difference" CA 144 1.232 -0.221 1.216 19438 5 1 1 "Average Difference" CB 133 3.071 -0.484 3.044 19438 6 1 1 "Average Difference" HN 136 0.438 0.032 0.438 19438 7 1 2 "Average Difference" N 135 2.897 1.043 2.713 19438 8 1 2 "Average Difference" HA 155 0.270 0.008 0.271 19438 9 1 2 "Average Difference" C 136 1.050 -0.338 0.998 19438 10 1 2 "Average Difference" CA 144 1.109 -0.156 1.102 19438 11 1 2 "Average Difference" CB 133 3.002 -0.674 2.936 19438 12 1 2 "Average Difference" HN 136 0.441 0.068 0.438 19438 13 1 3 "Average Difference" N 135 3.007 1.329 2.707 19438 14 1 3 "Average Difference" HA 155 0.282 -0.017 0.283 19438 15 1 3 "Average Difference" C 136 1.127 -0.364 1.071 19438 16 1 3 "Average Difference" CA 144 1.150 -0.161 1.142 19438 17 1 3 "Average Difference" CB 133 2.989 -0.667 2.925 19438 18 1 3 "Average Difference" HN 136 0.467 0.009 0.469 19438 19 1 4 "Average Difference" N 135 3.037 1.119 2.833 19438 20 1 4 "Average Difference" HA 155 0.269 0.002 0.270 19438 21 1 4 "Average Difference" C 136 1.096 -0.374 1.034 19438 22 1 4 "Average Difference" CA 144 1.222 -0.159 1.216 19438 23 1 4 "Average Difference" CB 133 3.021 -0.669 2.957 19438 24 1 4 "Average Difference" HN 136 0.456 0.016 0.457 19438 25 1 5 "Average Difference" N 135 3.128 1.189 2.903 19438 26 1 5 "Average Difference" HA 155 0.260 0.014 0.261 19438 27 1 5 "Average Difference" C 136 1.089 -0.453 0.994 19438 28 1 5 "Average Difference" CA 144 1.158 -0.175 1.149 19438 29 1 5 "Average Difference" CB 133 3.021 -0.520 2.988 19438 30 1 5 "Average Difference" HN 136 0.444 0.010 0.445 19438 31 1 6 "Average Difference" N 135 2.813 0.805 2.705 19438 32 1 6 "Average Difference" HA 155 0.286 0.046 0.283 19438 33 1 6 "Average Difference" C 136 1.147 -0.418 1.072 19438 34 1 6 "Average Difference" CA 144 1.235 -0.272 1.209 19438 35 1 6 "Average Difference" CB 133 3.065 -0.550 3.027 19438 36 1 6 "Average Difference" HN 136 0.424 0.016 0.425 19438 37 1 7 "Average Difference" N 135 2.887 1.248 2.613 19438 38 1 7 "Average Difference" HA 155 0.257 -0.008 0.258 19438 39 1 7 "Average Difference" C 136 1.135 -0.410 1.063 19438 40 1 7 "Average Difference" CA 144 1.216 -0.167 1.208 19438 41 1 7 "Average Difference" CB 133 3.004 -0.638 2.947 19438 42 1 7 "Average Difference" HN 136 0.414 0.033 0.414 19438 43 1 8 "Average Difference" N 135 2.890 0.954 2.738 19438 44 1 8 "Average Difference" HA 155 0.261 -0.018 0.261 19438 45 1 8 "Average Difference" C 136 1.099 -0.364 1.041 19438 46 1 8 "Average Difference" CA 144 1.143 -0.164 1.136 19438 47 1 8 "Average Difference" CB 133 3.053 -0.673 2.989 19438 48 1 8 "Average Difference" HN 136 0.437 0.013 0.438 19438 49 1 9 "Average Difference" N 135 3.171 0.922 3.045 19438 50 1 9 "Average Difference" HA 155 0.267 0.024 0.267 19438 51 1 9 "Average Difference" C 136 1.053 -0.460 0.951 19438 52 1 9 "Average Difference" CA 144 1.207 -0.257 1.183 19438 53 1 9 "Average Difference" CB 133 2.947 -0.480 2.919 19438 54 1 9 "Average Difference" HN 136 0.442 0.013 0.444 19438 55 1 10 "Average Difference" N 135 3.050 1.188 2.819 19438 56 1 10 "Average Difference" HA 155 0.254 -0.005 0.255 19438 57 1 10 "Average Difference" C 136 1.062 -0.408 0.984 19438 58 1 10 "Average Difference" CA 144 1.206 -0.147 1.201 19438 59 1 10 "Average Difference" CB 133 3.088 -0.642 3.032 19438 60 1 10 "Average Difference" HN 136 0.440 0.045 0.440 19438 61 1 11 "Average Difference" N 135 2.877 0.921 2.736 19438 62 1 11 "Average Difference" HA 155 0.243 -0.003 0.244 19438 63 1 11 "Average Difference" C 136 1.067 -0.424 0.983 19438 64 1 11 "Average Difference" CA 144 1.186 -0.221 1.169 19438 65 1 11 "Average Difference" CB 133 3.051 -0.514 3.018 19438 66 1 11 "Average Difference" HN 136 0.436 0.017 0.437 19438 67 1 12 "Average Difference" N 135 3.091 1.184 2.865 19438 68 1 12 "Average Difference" HA 155 0.249 0.005 0.250 19438 69 1 12 "Average Difference" C 136 1.160 -0.417 1.087 19438 70 1 12 "Average Difference" CA 144 1.228 -0.285 1.198 19438 71 1 12 "Average Difference" CB 133 3.039 -0.573 2.996 19438 72 1 12 "Average Difference" HN 136 0.453 0.008 0.455 19438 73 1 13 "Average Difference" N 135 2.897 0.903 2.763 19438 74 1 13 "Average Difference" HA 155 0.258 -0.011 0.259 19438 75 1 13 "Average Difference" C 136 1.105 -0.423 1.025 19438 76 1 13 "Average Difference" CA 144 1.220 -0.201 1.207 19438 77 1 13 "Average Difference" CB 133 3.061 -0.617 3.009 19438 78 1 13 "Average Difference" HN 136 0.418 0.027 0.418 19438 79 1 14 "Average Difference" N 135 2.898 1.283 2.608 19438 80 1 14 "Average Difference" HA 155 0.261 0.008 0.262 19438 81 1 14 "Average Difference" C 136 1.143 -0.409 1.071 19438 82 1 14 "Average Difference" CA 144 1.071 -0.160 1.062 19438 83 1 14 "Average Difference" CB 133 3.030 -0.620 2.977 19438 84 1 14 "Average Difference" HN 136 0.423 0.006 0.424 19438 85 1 15 "Average Difference" N 135 2.969 1.316 2.672 19438 86 1 15 "Average Difference" HA 155 0.239 -0.006 0.240 19438 87 1 15 "Average Difference" C 136 1.145 -0.412 1.073 19438 88 1 15 "Average Difference" CA 144 1.227 -0.218 1.212 19438 89 1 15 "Average Difference" CB 133 2.992 -0.511 2.959 19438 90 1 15 "Average Difference" HN 136 0.458 0.036 0.458 19438 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 19438 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS N N 2 124.740 124.740 122.108 2.632 19438 2 1 . 1 1 2 2 LYS HA H 2 4.810 4.810 4.929 -0.119 19438 3 1 . 1 1 2 2 LYS C C 2 173.640 173.640 175.171 -1.531 19438 4 1 . 1 1 2 2 LYS CA C 2 53.960 53.960 55.375 -1.415 19438 5 1 . 1 1 2 2 LYS CB C 2 34.850 34.850 35.052 -0.202 19438 6 1 . 1 1 2 2 LYS H H 2 8.620 8.620 8.535 0.085 19438 7 1 . 1 1 3 3 TYR N N 3 114.840 114.840 120.757 -5.917 19438 8 1 . 1 1 3 3 TYR HA H 3 5.252 5.252 4.970 0.282 19438 9 1 . 1 1 3 3 TYR C C 3 174.920 174.920 174.547 0.373 19438 10 1 . 1 1 3 3 TYR CA C 3 57.360 57.360 57.196 0.164 19438 11 1 . 1 1 3 3 TYR CB C 3 43.170 43.170 41.936 1.234 19438 12 1 . 1 1 3 3 TYR H H 3 8.927 8.927 9.458 -0.531 19438 13 1 . 1 1 4 4 ASP N N 4 119.790 119.790 121.999 -2.209 19438 14 1 . 1 1 4 4 ASP HA H 4 5.479 5.479 5.061 0.418 19438 15 1 . 1 1 4 4 ASP C C 4 175.780 175.780 174.958 0.822 19438 16 1 . 1 1 4 4 ASP CA C 4 52.900 52.900 53.010 -0.110 19438 17 1 . 1 1 4 4 ASP CB C 4 43.970 43.970 43.016 0.954 19438 18 1 . 1 1 4 4 ASP H H 4 9.170 9.170 9.207 -0.037 19438 19 1 . 1 1 5 5 VAL N N 5 122.030 122.030 127.228 -5.198 19438 20 1 . 1 1 5 5 VAL HA H 5 4.722 4.722 4.618 0.104 19438 21 1 . 1 1 5 5 VAL C C 5 174.520 174.520 174.085 0.435 19438 22 1 . 1 1 5 5 VAL CA C 5 62.100 62.100 61.322 0.778 19438 23 1 . 1 1 5 5 VAL CB C 5 31.720 31.720 33.044 -1.324 19438 24 1 . 1 1 5 5 VAL H H 5 8.733 8.733 8.901 -0.168 19438 25 1 . 1 1 6 6 VAL N N 6 128.380 128.380 129.871 -1.491 19438 26 1 . 1 1 6 6 VAL HA H 6 4.646 4.646 4.822 -0.176 19438 27 1 . 1 1 6 6 VAL C C 6 174.330 174.330 174.042 0.288 19438 28 1 . 1 1 6 6 VAL CA C 6 61.750 61.750 60.567 1.183 19438 29 1 . 1 1 6 6 VAL CB C 6 34.060 34.060 33.127 0.933 19438 30 1 . 1 1 6 6 VAL H H 6 9.338 9.338 8.995 0.343 19438 31 1 . 1 1 7 7 ILE N N 7 127.540 127.540 129.745 -2.205 19438 32 1 . 1 1 7 7 ILE HA H 7 5.160 5.160 5.083 0.077 19438 33 1 . 1 1 7 7 ILE C C 7 175.260 175.260 173.752 1.508 19438 34 1 . 1 1 7 7 ILE CA C 7 60.210 60.210 58.718 1.492 19438 35 1 . 1 1 7 7 ILE CB C 7 40.100 40.100 40.564 -0.464 19438 36 1 . 1 1 7 7 ILE H H 7 9.295 9.295 9.131 0.164 19438 37 1 . 1 1 8 8 ILE N N 8 126.500 126.500 129.484 -2.984 19438 38 1 . 1 1 8 8 ILE HA H 8 4.762 4.762 4.690 0.072 19438 39 1 . 1 1 8 8 ILE CA C 8 58.790 58.790 57.749 1.041 19438 40 1 . 1 1 8 8 ILE CB C 8 41.100 41.100 39.084 2.016 19438 41 1 . 1 1 8 8 ILE H H 8 9.573 9.573 9.176 0.397 19438 42 1 . 1 1 9 9 PRO HA H 9 5.325 5.325 5.218 0.107 19438 43 1 . 1 1 9 9 PRO C C 9 174.390 174.390 175.796 -1.406 19438 44 1 . 1 1 9 9 PRO CA C 9 61.070 61.070 61.630 -0.560 19438 45 1 . 1 1 9 9 PRO CB C 9 31.600 31.600 32.393 -0.793 19438 46 1 . 1 1 10 10 GLU N N 10 120.480 120.480 121.007 -0.527 19438 47 1 . 1 1 10 10 GLU HA H 10 4.773 4.773 4.780 -0.007 19438 48 1 . 1 1 10 10 GLU C C 10 174.950 174.950 175.309 -0.359 19438 49 1 . 1 1 10 10 GLU CA C 10 55.600 55.600 54.981 0.619 19438 50 1 . 1 1 10 10 GLU CB C 10 33.980 33.980 33.368 0.612 19438 51 1 . 1 1 10 10 GLU H H 10 9.218 9.218 9.138 0.080 19438 52 1 . 1 1 11 11 SER N N 11 117.470 117.470 118.918 -1.448 19438 53 1 . 1 1 11 11 SER HA H 11 4.686 4.686 4.620 0.066 19438 54 1 . 1 1 11 11 SER C C 11 174.460 174.460 174.687 -0.227 19438 55 1 . 1 1 11 11 SER CA C 11 57.490 57.490 58.007 -0.517 19438 56 1 . 1 1 11 11 SER CB C 11 64.820 64.820 63.950 0.870 19438 57 1 . 1 1 11 11 SER H H 11 8.595 8.595 8.502 0.093 19438 58 1 . 1 1 12 12 PHE N N 12 122.760 122.760 124.677 -1.917 19438 59 1 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.505 0.166 19438 60 1 . 1 1 12 12 PHE C C 12 175.440 175.440 174.407 1.033 19438 61 1 . 1 1 12 12 PHE CA C 12 58.580 58.580 57.022 1.558 19438 62 1 . 1 1 12 12 PHE CB C 12 39.940 39.940 38.010 1.930 19438 63 1 . 1 1 12 12 PHE H H 12 8.298 8.298 8.232 0.066 19438 64 1 . 1 1 13 13 HIS N N 13 120.600 120.600 123.613 -3.013 19438 65 1 . 1 1 13 13 HIS HA H 13 4.615 4.615 4.818 -0.203 19438 66 1 . 1 1 13 13 HIS C C 13 174.530 174.530 174.353 0.177 19438 67 1 . 1 1 13 13 HIS CA C 13 55.610 55.610 55.259 0.351 19438 68 1 . 1 1 13 13 HIS CB C 13 31.000 31.000 32.845 -1.844 19438 69 1 . 1 1 13 13 HIS H H 13 8.243 8.243 8.171 0.072 19438 70 1 . 1 1 14 14 ARG N N 14 122.290 122.290 123.569 -1.279 19438 71 1 . 1 1 14 14 ARG HA H 14 4.219 4.219 4.450 -0.231 19438 72 1 . 1 1 14 14 ARG C C 14 176.070 176.070 175.559 0.511 19438 73 1 . 1 1 14 14 ARG CA C 14 56.580 56.580 55.358 1.222 19438 74 1 . 1 1 14 14 ARG CB C 14 30.790 30.790 31.104 -0.314 19438 75 1 . 1 1 14 14 ARG H H 14 8.320 8.320 8.641 -0.321 19438 76 1 . 1 1 15 15 PHE N N 15 120.220 120.220 124.535 -4.315 19438 77 1 . 1 1 15 15 PHE HA H 15 4.696 4.696 4.678 0.018 19438 78 1 . 1 1 15 15 PHE C C 15 175.550 175.550 175.820 -0.270 19438 79 1 . 1 1 15 15 PHE CA C 15 57.630 57.630 58.552 -0.922 19438 80 1 . 1 1 15 15 PHE CB C 15 39.920 39.920 38.769 1.151 19438 81 1 . 1 1 15 15 PHE H H 15 8.409 8.409 8.711 -0.302 19438 82 1 . 1 1 16 16 ASP N N 16 121.370 121.370 127.090 -5.720 19438 83 1 . 1 1 16 16 ASP HA H 16 4.551 4.551 4.607 -0.056 19438 84 1 . 1 1 16 16 ASP C C 16 176.590 176.590 176.340 0.250 19438 85 1 . 1 1 16 16 ASP CA C 16 54.180 54.180 54.786 -0.606 19438 86 1 . 1 1 16 16 ASP CB C 16 41.410 41.410 42.319 -0.909 19438 87 1 . 1 1 16 16 ASP H H 16 8.397 8.397 8.338 0.059 19438 88 1 . 1 1 17 17 LYS N N 17 119.880 119.880 118.534 1.346 19438 89 1 . 1 1 17 17 LYS HA H 17 4.167 4.167 4.204 -0.037 19438 90 1 . 1 1 17 17 LYS C C 17 176.550 176.550 177.022 -0.472 19438 91 1 . 1 1 17 17 LYS CA C 17 57.110 57.110 57.907 -0.797 19438 92 1 . 1 1 17 17 LYS CB C 17 32.420 32.420 33.294 -0.874 19438 93 1 . 1 1 17 17 LYS H H 17 8.188 8.188 8.423 -0.235 19438 94 1 . 1 1 18 18 HIS N N 18 118.390 118.390 115.226 3.164 19438 95 1 . 1 1 18 18 HIS HA H 18 4.650 4.650 4.751 -0.101 19438 96 1 . 1 1 18 18 HIS C C 18 175.020 175.020 174.355 0.665 19438 97 1 . 1 1 18 18 HIS CA C 18 56.260 56.260 56.150 0.110 19438 98 1 . 1 1 18 18 HIS CB C 18 30.010 30.010 31.620 -1.610 19438 99 1 . 1 1 18 18 HIS H H 18 8.339 8.339 8.317 0.022 19438 100 1 . 1 1 19 19 ASN N N 19 118.700 118.700 118.212 0.488 19438 101 1 . 1 1 19 19 ASN HA H 19 4.672 4.672 4.749 -0.077 19438 102 1 . 1 1 19 19 ASN C C 19 175.170 175.170 174.214 0.956 19438 103 1 . 1 1 19 19 ASN CA C 19 53.800 53.800 53.025 0.775 19438 104 1 . 1 1 19 19 ASN CB C 19 38.730 38.730 39.655 -0.925 19438 105 1 . 1 1 19 19 ASN H H 19 8.287 8.287 8.152 0.135 19438 106 1 . 1 1 20 20 MET N N 20 120.140 120.140 117.304 2.836 19438 107 1 . 1 1 20 20 MET HA H 20 4.475 4.475 4.187 0.288 19438 108 1 . 1 1 20 20 MET C C 20 176.470 176.470 173.616 2.854 19438 109 1 . 1 1 20 20 MET CA C 20 55.640 55.640 56.146 -0.506 19438 110 1 . 1 1 20 20 MET CB C 20 33.500 33.500 31.622 1.878 19438 111 1 . 1 1 20 20 MET H H 20 8.495 8.495 8.608 -0.113 19438 112 1 . 1 1 21 21 GLU N N 21 120.920 120.920 119.591 1.329 19438 113 1 . 1 1 21 21 GLU HA H 21 4.201 4.201 4.471 -0.270 19438 114 1 . 1 1 21 21 GLU C C 21 176.380 176.380 173.743 2.637 19438 115 1 . 1 1 21 21 GLU CA C 21 57.330 57.330 55.788 1.542 19438 116 1 . 1 1 21 21 GLU CB C 21 30.080 30.080 32.215 -2.135 19438 117 1 . 1 1 21 21 GLU H H 21 8.450 8.450 8.128 0.322 19438 118 1 . 1 1 22 22 HIS N N 22 119.650 119.650 124.723 -5.073 19438 119 1 . 1 1 22 22 HIS HA H 22 4.687 4.687 5.141 -0.454 19438 120 1 . 1 1 22 22 HIS C C 22 174.470 174.470 173.094 1.376 19438 121 1 . 1 1 22 22 HIS CA C 22 55.980 55.980 55.659 0.321 19438 122 1 . 1 1 22 22 HIS CB C 22 30.530 30.530 31.363 -0.833 19438 123 1 . 1 1 22 22 HIS H H 22 8.334 8.334 8.550 -0.216 19438 124 1 . 1 1 23 23 ILE N N 23 121.910 121.910 125.417 -3.507 19438 125 1 . 1 1 23 23 ILE HA H 23 4.151 4.151 4.273 -0.122 19438 126 1 . 1 1 23 23 ILE C C 23 175.870 175.870 174.540 1.330 19438 127 1 . 1 1 23 23 ILE CA C 23 61.170 61.170 58.922 2.248 19438 128 1 . 1 1 23 23 ILE CB C 23 38.850 38.850 40.025 -1.175 19438 129 1 . 1 1 23 23 ILE H H 23 7.782 7.782 8.136 -0.354 19438 130 1 . 1 1 24 24 CYS N N 24 124.920 124.920 126.692 -1.772 19438 131 1 . 1 1 24 24 CYS HA H 24 4.794 4.794 4.732 0.062 19438 132 1 . 1 1 24 24 CYS CA C 24 53.130 53.130 56.279 -3.149 19438 133 1 . 1 1 24 24 CYS CB C 24 42.470 42.470 28.408 14.062 19438 134 1 . 1 1 24 24 CYS H H 24 8.697 8.697 8.402 0.295 19438 135 1 . 1 1 25 25 PRO HA H 25 4.730 4.730 4.498 0.232 19438 136 1 . 1 1 26 26 PRO HA H 26 4.754 4.754 4.474 0.280 19438 137 1 . 1 1 26 26 PRO C C 26 175.820 175.820 176.016 -0.196 19438 138 1 . 1 1 26 26 PRO CA C 26 62.580 62.580 62.913 -0.332 19438 139 1 . 1 1 26 26 PRO CB C 26 32.590 32.590 32.582 0.008 19438 140 1 . 1 1 27 27 MET N N 27 120.580 120.580 123.278 -2.698 19438 141 1 . 1 1 27 27 MET HA H 27 5.180 5.180 5.056 0.124 19438 142 1 . 1 1 27 27 MET C C 27 174.810 174.810 174.959 -0.149 19438 143 1 . 1 1 27 27 MET CA C 27 53.270 53.270 54.791 -1.521 19438 144 1 . 1 1 27 27 MET CB C 27 34.580 34.580 34.976 -0.396 19438 145 1 . 1 1 27 27 MET H H 27 9.055 9.055 8.924 0.131 19438 146 1 . 1 1 28 28 VAL N N 28 122.030 122.030 124.197 -2.167 19438 147 1 . 1 1 28 28 VAL HA H 28 5.093 5.093 4.928 0.165 19438 148 1 . 1 1 28 28 VAL C C 28 175.710 175.710 174.568 1.142 19438 149 1 . 1 1 28 28 VAL CA C 28 60.650 60.650 61.243 -0.593 19438 150 1 . 1 1 28 28 VAL CB C 28 35.470 35.470 34.269 1.201 19438 151 1 . 1 1 28 28 VAL H H 28 8.575 8.575 8.697 -0.122 19438 152 1 . 1 1 29 29 ILE N N 29 129.440 129.440 126.918 2.522 19438 153 1 . 1 1 29 29 ILE HA H 29 4.366 4.366 4.476 -0.110 19438 154 1 . 1 1 29 29 ILE C C 29 176.490 176.490 174.474 2.016 19438 155 1 . 1 1 29 29 ILE CA C 29 61.260 61.260 59.852 1.408 19438 156 1 . 1 1 29 29 ILE CB C 29 37.960 37.960 39.436 -1.476 19438 157 1 . 1 1 29 29 ILE H H 29 9.200 9.200 9.007 0.193 19438 158 1 . 1 1 30 30 GLY N N 30 112.580 112.580 114.012 -1.432 19438 159 1 . 1 1 30 30 GLY C C 30 175.350 175.350 173.601 1.749 19438 160 1 . 1 1 30 30 GLY CA C 30 46.110 46.110 44.409 1.701 19438 161 1 . 1 1 30 30 GLY H H 30 8.525 8.525 8.674 -0.149 19438 162 1 . 1 1 31 31 ASP N N 31 121.320 121.320 120.970 0.350 19438 163 1 . 1 1 31 31 ASP HA H 31 4.103 4.103 4.589 -0.486 19438 164 1 . 1 1 31 31 ASP C C 31 175.530 175.530 175.230 0.300 19438 165 1 . 1 1 31 31 ASP CA C 31 55.530 55.530 54.142 1.388 19438 166 1 . 1 1 31 31 ASP CB C 31 39.620 39.620 41.404 -1.784 19438 167 1 . 1 1 31 31 ASP H H 31 9.133 9.133 8.065 1.068 19438 168 1 . 1 1 32 32 ARG N N 32 117.600 117.600 120.726 -3.126 19438 169 1 . 1 1 32 32 ARG HA H 32 5.031 5.031 4.879 0.152 19438 170 1 . 1 1 32 32 ARG C C 32 177.060 177.060 175.599 1.461 19438 171 1 . 1 1 32 32 ARG CA C 32 52.790 52.790 53.972 -1.182 19438 172 1 . 1 1 32 32 ARG CB C 32 34.650 34.650 32.669 1.980 19438 173 1 . 1 1 32 32 ARG H H 32 9.529 9.529 7.826 1.703 19438 174 1 . 1 1 33 33 SER N N 33 116.150 116.150 118.864 -2.714 19438 175 1 . 1 1 33 33 SER HA H 33 4.819 4.819 5.040 -0.221 19438 176 1 . 1 1 33 33 SER C C 33 174.290 174.290 175.492 -1.202 19438 177 1 . 1 1 33 33 SER CA C 33 58.130 58.130 57.517 0.613 19438 178 1 . 1 1 33 33 SER CB C 33 64.530 64.530 64.760 -0.230 19438 179 1 . 1 1 33 33 SER H H 33 8.400 8.400 8.713 -0.313 19438 180 1 . 1 1 34 34 TYR N N 34 122.110 122.110 122.923 -0.813 19438 181 1 . 1 1 34 34 TYR HA H 34 3.385 3.385 3.558 -0.173 19438 182 1 . 1 1 34 34 TYR C C 34 176.280 176.280 176.890 -0.610 19438 183 1 . 1 1 34 34 TYR CA C 34 63.060 63.060 63.173 -0.113 19438 184 1 . 1 1 34 34 TYR CB C 34 38.350 38.350 38.294 0.056 19438 185 1 . 1 1 34 34 TYR H H 34 9.456 9.456 9.023 0.433 19438 186 1 . 1 1 35 35 ASP N N 35 114.640 114.640 118.172 -3.532 19438 187 1 . 1 1 35 35 ASP HA H 35 4.066 4.066 4.269 -0.203 19438 188 1 . 1 1 35 35 ASP C C 35 179.460 179.460 178.267 1.193 19438 189 1 . 1 1 35 35 ASP CA C 35 57.380 57.380 57.637 -0.257 19438 190 1 . 1 1 35 35 ASP CB C 35 39.840 39.840 40.313 -0.473 19438 191 1 . 1 1 35 35 ASP H H 35 8.611 8.611 8.589 0.022 19438 192 1 . 1 1 36 36 ILE N N 36 120.860 120.860 120.341 0.519 19438 193 1 . 1 1 36 36 ILE HA H 36 3.848 3.848 3.823 0.025 19438 194 1 . 1 1 36 36 ILE C C 36 178.000 178.000 177.698 0.302 19438 195 1 . 1 1 36 36 ILE CA C 36 62.660 62.660 63.723 -1.063 19438 196 1 . 1 1 36 36 ILE CB C 36 36.700 36.700 37.618 -0.918 19438 197 1 . 1 1 36 36 ILE H H 36 7.298 7.298 7.357 -0.059 19438 198 1 . 1 1 37 37 ALA N N 37 123.260 123.260 123.544 -0.284 19438 199 1 . 1 1 37 37 ALA HA H 37 3.732 3.732 3.925 -0.193 19438 200 1 . 1 1 37 37 ALA C C 37 179.720 179.720 179.325 0.395 19438 201 1 . 1 1 37 37 ALA CA C 37 55.720 55.720 55.300 0.420 19438 202 1 . 1 1 37 37 ALA CB C 37 17.980 17.980 18.234 -0.254 19438 203 1 . 1 1 37 37 ALA H H 37 8.906 8.906 8.614 0.292 19438 204 1 . 1 1 38 38 MET N N 38 114.900 114.900 117.529 -2.629 19438 205 1 . 1 1 38 38 MET HA H 38 4.282 4.282 4.012 0.270 19438 206 1 . 1 1 38 38 MET C C 38 178.940 178.940 178.275 0.665 19438 207 1 . 1 1 38 38 MET CA C 38 55.940 55.940 57.722 -1.782 19438 208 1 . 1 1 38 38 MET CB C 38 29.570 29.570 31.763 -2.193 19438 209 1 . 1 1 38 38 MET H H 38 8.237 8.237 8.101 0.136 19438 210 1 . 1 1 39 39 GLU N N 39 120.020 120.020 120.134 -0.114 19438 211 1 . 1 1 39 39 GLU HA H 39 4.101 4.101 4.011 0.090 19438 212 1 . 1 1 39 39 GLU C C 39 180.880 180.880 179.223 1.657 19438 213 1 . 1 1 39 39 GLU CA C 39 59.630 59.630 59.196 0.434 19438 214 1 . 1 1 39 39 GLU CB C 39 29.050 29.050 29.525 -0.475 19438 215 1 . 1 1 39 39 GLU H H 39 7.517 7.517 7.811 -0.294 19438 216 1 . 1 1 40 40 ILE N N 40 122.000 122.000 120.964 1.036 19438 217 1 . 1 1 40 40 ILE HA H 40 3.710 3.710 3.907 -0.197 19438 218 1 . 1 1 40 40 ILE C C 40 177.890 177.890 177.503 0.387 19438 219 1 . 1 1 40 40 ILE CA C 40 65.240 65.240 64.368 0.872 19438 220 1 . 1 1 40 40 ILE CB C 40 36.900 36.900 38.183 -1.283 19438 221 1 . 1 1 40 40 ILE H H 40 8.220 8.220 8.231 -0.011 19438 222 1 . 1 1 41 41 VAL N N 41 120.760 120.760 120.647 0.113 19438 223 1 . 1 1 41 41 VAL HA H 41 3.386 3.386 3.527 -0.141 19438 224 1 . 1 1 41 41 VAL C C 41 179.090 179.090 177.815 1.275 19438 225 1 . 1 1 41 41 VAL CA C 41 67.860 67.860 67.188 0.672 19438 226 1 . 1 1 41 41 VAL CB C 41 31.330 31.330 31.227 0.104 19438 227 1 . 1 1 41 41 VAL H H 41 8.737 8.737 8.345 0.392 19438 228 1 . 1 1 42 42 ASN N N 42 119.950 119.950 118.265 1.685 19438 229 1 . 1 1 42 42 ASN HA H 42 4.607 4.607 4.514 0.093 19438 230 1 . 1 1 42 42 ASN C C 42 178.080 178.080 177.699 0.381 19438 231 1 . 1 1 42 42 ASN CA C 42 55.880 55.880 56.258 -0.378 19438 232 1 . 1 1 42 42 ASN CB C 42 37.490 37.490 38.217 -0.727 19438 233 1 . 1 1 42 42 ASN H H 42 8.542 8.542 8.613 -0.071 19438 234 1 . 1 1 43 43 GLY N N 43 112.070 112.070 109.025 3.045 19438 235 1 . 1 1 43 43 GLY C C 43 176.070 176.070 176.326 -0.256 19438 236 1 . 1 1 43 43 GLY CA C 43 47.590 47.590 47.158 0.432 19438 237 1 . 1 1 43 43 GLY H H 43 8.387 8.387 8.036 0.351 19438 238 1 . 1 1 44 44 VAL N N 44 122.900 122.900 122.414 0.486 19438 239 1 . 1 1 44 44 VAL HA H 44 3.527 3.527 3.599 -0.072 19438 240 1 . 1 1 44 44 VAL C C 44 176.700 176.700 177.291 -0.591 19438 241 1 . 1 1 44 44 VAL CA C 44 66.840 66.840 66.387 0.453 19438 242 1 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.300 -0.050 19438 243 1 . 1 1 44 44 VAL H H 44 9.078 9.078 8.322 0.756 19438 244 1 . 1 1 45 45 ASP N N 45 119.070 119.070 119.950 -0.880 19438 245 1 . 1 1 45 45 ASP HA H 45 4.192 4.192 4.302 -0.110 19438 246 1 . 1 1 45 45 ASP C C 45 176.540 176.540 178.534 -1.994 19438 247 1 . 1 1 45 45 ASP CA C 45 58.490 58.490 58.066 0.424 19438 248 1 . 1 1 45 45 ASP CB C 45 42.940 42.940 41.031 1.909 19438 249 1 . 1 1 45 45 ASP H H 45 7.745 7.745 8.536 -0.791 19438 250 1 . 1 1 46 46 ARG N N 46 115.750 115.750 119.195 -3.445 19438 251 1 . 1 1 46 46 ARG HA H 46 3.994 3.994 4.166 -0.172 19438 252 1 . 1 1 46 46 ARG C C 46 179.760 179.760 178.900 0.860 19438 253 1 . 1 1 46 46 ARG CA C 46 59.630 59.630 58.910 0.720 19438 254 1 . 1 1 46 46 ARG CB C 46 30.190 30.190 30.277 -0.086 19438 255 1 . 1 1 46 46 ARG H H 46 7.557 7.557 7.847 -0.290 19438 256 1 . 1 1 47 47 VAL N N 47 118.740 118.740 120.300 -1.560 19438 257 1 . 1 1 47 47 VAL HA H 47 3.912 3.912 3.782 0.130 19438 258 1 . 1 1 47 47 VAL C C 47 179.150 179.150 178.066 1.084 19438 259 1 . 1 1 47 47 VAL CA C 47 66.040 66.040 66.281 -0.241 19438 260 1 . 1 1 47 47 VAL CB C 47 31.770 31.770 31.607 0.163 19438 261 1 . 1 1 47 47 VAL H H 47 8.187 8.187 7.838 0.349 19438 262 1 . 1 1 48 48 ILE N N 48 122.340 122.340 120.591 1.749 19438 263 1 . 1 1 48 48 ILE HA H 48 3.697 3.697 3.681 0.016 19438 264 1 . 1 1 48 48 ILE C C 48 178.130 178.130 178.054 0.076 19438 265 1 . 1 1 48 48 ILE CA C 48 66.640 66.640 65.777 0.863 19438 266 1 . 1 1 48 48 ILE CB C 48 36.630 36.630 37.413 -0.783 19438 267 1 . 1 1 48 48 ILE H H 48 8.786 8.786 8.513 0.273 19438 268 1 . 1 1 49 49 LYS N N 49 116.860 116.860 118.962 -2.102 19438 269 1 . 1 1 49 49 LYS HA H 49 4.059 4.059 4.194 -0.135 19438 270 1 . 1 1 49 49 LYS C C 49 178.120 178.120 177.981 0.139 19438 271 1 . 1 1 49 49 LYS CA C 49 60.270 60.270 59.059 1.211 19438 272 1 . 1 1 49 49 LYS CB C 49 33.100 33.100 32.456 0.644 19438 273 1 . 1 1 49 49 LYS H H 49 7.785 7.785 8.178 -0.393 19438 274 1 . 1 1 50 50 ALA N N 50 117.520 117.520 121.237 -3.717 19438 275 1 . 1 1 50 50 ALA HA H 50 4.356 4.356 4.440 -0.084 19438 276 1 . 1 1 50 50 ALA C C 50 179.940 179.940 178.830 1.110 19438 277 1 . 1 1 50 50 ALA CA C 50 53.960 53.960 54.095 -0.135 19438 278 1 . 1 1 50 50 ALA CB C 50 19.360 19.360 19.266 0.094 19438 279 1 . 1 1 50 50 ALA H H 50 7.740 7.740 7.732 0.008 19438 280 1 . 1 1 51 51 SER N N 51 111.860 111.860 113.701 -1.841 19438 281 1 . 1 1 51 51 SER HA H 51 4.287 4.287 4.426 -0.139 19438 282 1 . 1 1 51 51 SER C C 51 172.840 172.840 173.976 -1.136 19438 283 1 . 1 1 51 51 SER CA C 51 60.610 60.610 60.347 0.263 19438 284 1 . 1 1 51 51 SER CB C 51 64.500 64.500 64.279 0.221 19438 285 1 . 1 1 51 51 SER H H 51 7.957 7.957 8.384 -0.427 19438 286 1 . 1 1 52 52 PHE N N 52 116.210 116.210 117.358 -1.148 19438 287 1 . 1 1 52 52 PHE HA H 52 4.777 4.777 4.669 0.108 19438 288 1 . 1 1 52 52 PHE C C 52 174.210 174.210 174.424 -0.214 19438 289 1 . 1 1 52 52 PHE CA C 52 56.290 56.290 56.551 -0.261 19438 290 1 . 1 1 52 52 PHE CB C 52 42.580 42.580 41.733 0.847 19438 291 1 . 1 1 52 52 PHE H H 52 7.901 7.901 7.845 0.056 19438 292 1 . 1 1 53 53 ASN N N 53 117.890 117.890 120.570 -2.680 19438 293 1 . 1 1 53 53 ASN HA H 53 4.902 4.902 4.908 -0.006 19438 294 1 . 1 1 53 53 ASN C C 53 175.120 175.120 173.666 1.454 19438 295 1 . 1 1 53 53 ASN CA C 53 53.950 53.950 52.304 1.646 19438 296 1 . 1 1 53 53 ASN CB C 53 37.550 37.550 39.271 -1.721 19438 297 1 . 1 1 53 53 ASN H H 53 8.205 8.205 8.835 -0.630 19438 298 1 . 1 1 54 54 ALA N N 54 125.300 125.300 127.862 -2.562 19438 299 1 . 1 1 54 54 ALA HA H 54 5.441 5.441 5.342 0.099 19438 300 1 . 1 1 54 54 ALA C C 54 176.800 176.800 176.402 0.398 19438 301 1 . 1 1 54 54 ALA CA C 54 51.560 51.560 50.387 1.173 19438 302 1 . 1 1 54 54 ALA CB C 54 24.080 24.080 22.079 2.001 19438 303 1 . 1 1 54 54 ALA H H 54 8.246 8.246 8.162 0.084 19438 304 1 . 1 1 55 55 SER N N 55 115.850 115.850 118.231 -2.381 19438 305 1 . 1 1 55 55 SER HA H 55 4.789 4.789 4.929 -0.140 19438 306 1 . 1 1 55 55 SER C C 55 172.830 172.830 173.419 -0.589 19438 307 1 . 1 1 55 55 SER CA C 55 57.200 57.200 57.034 0.166 19438 308 1 . 1 1 55 55 SER CB C 55 65.460 65.460 64.557 0.903 19438 309 1 . 1 1 55 55 SER H H 55 8.606 8.606 8.783 -0.177 19438 310 1 . 1 1 56 56 VAL N N 56 121.700 121.700 126.658 -4.958 19438 311 1 . 1 1 56 56 VAL HA H 56 4.794 4.794 4.416 0.378 19438 312 1 . 1 1 56 56 VAL C C 56 173.160 173.160 174.853 -1.693 19438 313 1 . 1 1 56 56 VAL CA C 56 60.010 60.010 60.498 -0.488 19438 314 1 . 1 1 56 56 VAL CB C 56 35.570 35.570 33.471 2.099 19438 315 1 . 1 1 56 56 VAL H H 56 8.648 8.648 8.668 -0.020 19438 316 1 . 1 1 57 57 GLU N N 57 126.130 126.130 129.377 -3.247 19438 317 1 . 1 1 57 57 GLU HA H 57 4.512 4.512 4.625 -0.113 19438 318 1 . 1 1 57 57 GLU C C 57 174.090 174.090 174.749 -0.659 19438 319 1 . 1 1 57 57 GLU CA C 57 54.550 54.550 54.627 -0.078 19438 320 1 . 1 1 57 57 GLU CB C 57 33.910 33.910 32.496 1.414 19438 321 1 . 1 1 57 57 GLU H H 57 8.122 8.122 8.919 -0.797 19438 322 1 . 1 1 58 58 GLU N N 58 124.740 124.740 124.789 -0.049 19438 323 1 . 1 1 58 58 GLU HA H 58 4.687 4.687 4.759 -0.072 19438 324 1 . 1 1 58 58 GLU C C 58 175.410 175.410 175.517 -0.107 19438 325 1 . 1 1 58 58 GLU CA C 58 55.990 55.990 55.607 0.383 19438 326 1 . 1 1 58 58 GLU CB C 58 30.330 30.330 30.680 -0.350 19438 327 1 . 1 1 58 58 GLU H H 58 8.610 8.610 8.655 -0.045 19438 328 1 . 1 1 59 59 LEU N N 59 126.780 126.780 124.919 1.861 19438 329 1 . 1 1 59 59 LEU HA H 59 4.711 4.711 4.721 -0.010 19438 330 1 . 1 1 59 59 LEU C C 59 175.970 175.970 175.995 -0.025 19438 331 1 . 1 1 59 59 LEU CA C 59 53.780 53.780 53.348 0.432 19438 332 1 . 1 1 59 59 LEU CB C 59 45.320 45.320 45.688 -0.368 19438 333 1 . 1 1 59 59 LEU H H 59 8.259 8.259 8.992 -0.733 19438 334 1 . 1 1 60 60 GLU N N 60 119.810 119.810 119.114 0.696 19438 335 1 . 1 1 60 60 GLU HA H 60 4.348 4.348 4.525 -0.177 19438 336 1 . 1 1 60 60 GLU C C 60 177.560 177.560 176.204 1.356 19438 337 1 . 1 1 60 60 GLU CA C 60 57.340 57.340 55.141 2.198 19438 338 1 . 1 1 60 60 GLU CB C 60 30.260 30.260 31.135 -0.875 19438 339 1 . 1 1 60 60 GLU H H 60 8.258 8.258 8.390 -0.132 19438 340 1 . 1 1 61 61 GLY N N 61 117.720 117.720 110.237 7.483 19438 341 1 . 1 1 61 61 GLY C C 61 174.320 174.320 173.641 0.679 19438 342 1 . 1 1 61 61 GLY CA C 61 44.570 44.570 44.262 0.308 19438 343 1 . 1 1 61 61 GLY H H 61 8.726 8.726 8.448 0.278 19438 344 1 . 1 1 62 62 GLU N N 62 121.700 121.700 119.439 2.261 19438 345 1 . 1 1 62 62 GLU HA H 62 4.531 4.531 4.287 0.244 19438 346 1 . 1 1 62 62 GLU C C 62 177.690 177.690 177.431 0.259 19438 347 1 . 1 1 62 62 GLU CA C 62 55.550 55.550 56.312 -0.762 19438 348 1 . 1 1 62 62 GLU CB C 62 31.300 31.300 30.553 0.747 19438 349 1 . 1 1 62 62 GLU H H 62 9.337 9.337 8.423 0.914 19438 350 1 . 1 1 63 63 ASP N N 63 120.760 120.760 120.941 -0.181 19438 351 1 . 1 1 63 63 ASP HA H 63 4.330 4.330 4.338 -0.008 19438 352 1 . 1 1 63 63 ASP C C 63 178.080 178.080 176.574 1.506 19438 353 1 . 1 1 63 63 ASP CA C 63 57.930 57.930 57.294 0.636 19438 354 1 . 1 1 63 63 ASP CB C 63 40.770 40.770 40.451 0.319 19438 355 1 . 1 1 63 63 ASP H H 63 8.632 8.632 8.858 -0.226 19438 356 1 . 1 1 64 64 CYS N N 64 113.520 113.520 117.332 -3.812 19438 357 1 . 1 1 64 64 CYS HA H 64 4.432 4.432 4.488 -0.056 19438 358 1 . 1 1 64 64 CYS C C 64 173.700 173.700 174.337 -0.637 19438 359 1 . 1 1 64 64 CYS CA C 64 57.170 57.170 58.296 -1.126 19438 360 1 . 1 1 64 64 CYS CB C 64 41.210 41.210 27.134 14.076 19438 361 1 . 1 1 64 64 CYS H H 64 7.962 7.962 8.209 -0.247 19438 362 1 . 1 1 65 65 ASP N N 65 120.200 120.200 120.893 -0.693 19438 363 1 . 1 1 65 65 ASP HA H 65 5.190 5.190 5.041 0.149 19438 364 1 . 1 1 65 65 ASP C C 65 176.540 176.540 176.338 0.202 19438 365 1 . 1 1 65 65 ASP CA C 65 54.310 54.310 54.451 -0.141 19438 366 1 . 1 1 65 65 ASP CB C 65 41.150 41.150 41.967 -0.817 19438 367 1 . 1 1 65 65 ASP H H 65 7.936 7.936 7.958 -0.022 19438 368 1 . 1 1 66 66 VAL N N 66 122.070 122.070 121.130 0.940 19438 369 1 . 1 1 66 66 VAL HA H 66 4.267 4.267 4.198 0.069 19438 370 1 . 1 1 66 66 VAL C C 66 176.000 176.000 175.742 0.258 19438 371 1 . 1 1 66 66 VAL CA C 66 63.190 63.190 63.335 -0.145 19438 372 1 . 1 1 66 66 VAL CB C 66 32.430 32.430 33.201 -0.771 19438 373 1 . 1 1 66 66 VAL H H 66 9.431 9.431 9.025 0.406 19438 374 1 . 1 1 67 67 LEU N N 67 119.700 119.700 119.593 0.107 19438 375 1 . 1 1 67 67 LEU HA H 67 4.639 4.639 4.707 -0.068 19438 376 1 . 1 1 67 67 LEU C C 67 174.400 174.400 173.752 0.648 19438 377 1 . 1 1 67 67 LEU CA C 67 55.100 55.100 54.883 0.217 19438 378 1 . 1 1 67 67 LEU CB C 67 46.020 46.020 46.187 -0.167 19438 379 1 . 1 1 67 67 LEU H H 67 7.625 7.625 7.559 0.066 19438 380 1 . 1 1 68 68 TYR N N 68 126.330 126.330 126.466 -0.136 19438 381 1 . 1 1 68 68 TYR HA H 68 5.850 5.850 5.369 0.481 19438 382 1 . 1 1 68 68 TYR C C 68 173.460 173.460 173.211 0.249 19438 383 1 . 1 1 68 68 TYR CA C 68 54.660 54.660 56.003 -1.343 19438 384 1 . 1 1 68 68 TYR CB C 68 38.140 38.140 41.489 -3.350 19438 385 1 . 1 1 68 68 TYR H H 68 9.086 9.086 8.864 0.222 19438 386 1 . 1 1 69 69 ARG N N 69 127.440 127.440 127.874 -0.434 19438 387 1 . 1 1 69 69 ARG HA H 69 4.860 4.860 5.138 -0.278 19438 388 1 . 1 1 69 69 ARG C C 69 173.030 173.030 174.425 -1.395 19438 389 1 . 1 1 69 69 ARG CA C 69 54.430 54.430 54.309 0.121 19438 390 1 . 1 1 69 69 ARG CB C 69 35.030 35.030 33.226 1.804 19438 391 1 . 1 1 69 69 ARG H H 69 9.569 9.569 9.387 0.182 19438 392 1 . 1 1 70 70 LYS N N 70 122.850 122.850 126.468 -3.618 19438 393 1 . 1 1 70 70 LYS HA H 70 5.005 5.005 5.222 -0.217 19438 394 1 . 1 1 70 70 LYS C C 70 175.830 175.830 174.814 1.016 19438 395 1 . 1 1 70 70 LYS CA C 70 54.690 54.690 55.008 -0.318 19438 396 1 . 1 1 70 70 LYS CB C 70 36.040 36.040 35.228 0.812 19438 397 1 . 1 1 70 70 LYS H H 70 8.612 8.612 9.016 -0.404 19438 398 1 . 1 1 71 71 TYR N N 71 129.420 129.420 126.190 3.230 19438 399 1 . 1 1 71 71 TYR HA H 71 5.302 5.302 5.268 0.034 19438 400 1 . 1 1 71 71 TYR C C 71 175.710 175.710 175.721 -0.011 19438 401 1 . 1 1 71 71 TYR CA C 71 56.960 56.960 56.585 0.375 19438 402 1 . 1 1 71 71 TYR CB C 71 40.330 40.330 40.787 -0.457 19438 403 1 . 1 1 71 71 TYR H H 71 9.762 9.762 9.383 0.379 19438 404 1 . 1 1 72 72 THR N N 72 119.820 119.820 122.034 -2.214 19438 405 1 . 1 1 72 72 THR HA H 72 4.707 4.707 4.678 0.029 19438 406 1 . 1 1 72 72 THR C C 72 173.860 173.860 173.484 0.376 19438 407 1 . 1 1 72 72 THR CA C 72 63.250 63.250 62.788 0.462 19438 408 1 . 1 1 72 72 THR CB C 72 69.370 69.370 69.188 0.182 19438 409 1 . 1 1 72 72 THR H H 72 8.845 8.845 9.257 -0.412 19438 410 1 . 1 1 73 73 LEU N N 73 125.420 125.420 128.234 -2.814 19438 411 1 . 1 1 73 73 LEU HA H 73 5.129 5.129 5.303 -0.174 19438 412 1 . 1 1 73 73 LEU C C 73 175.760 175.760 175.693 0.067 19438 413 1 . 1 1 73 73 LEU CA C 73 54.080 54.080 53.418 0.662 19438 414 1 . 1 1 73 73 LEU CB C 73 45.350 45.350 43.780 1.570 19438 415 1 . 1 1 73 73 LEU H H 73 8.929 8.929 9.322 -0.393 19438 416 1 . 1 1 74 74 GLU N N 74 120.090 120.090 122.480 -2.390 19438 417 1 . 1 1 74 74 GLU HA H 74 5.214 5.214 5.215 -0.001 19438 418 1 . 1 1 74 74 GLU C C 74 175.400 175.400 174.998 0.402 19438 419 1 . 1 1 74 74 GLU CA C 74 55.740 55.740 55.277 0.463 19438 420 1 . 1 1 74 74 GLU CB C 74 33.040 33.040 32.941 0.099 19438 421 1 . 1 1 74 74 GLU H H 74 8.311 8.311 8.951 -0.640 19438 422 1 . 1 1 75 75 LYS N N 75 124.230 124.230 125.349 -1.119 19438 423 1 . 1 1 75 75 LYS HA H 75 4.473 4.473 4.621 -0.148 19438 424 1 . 1 1 75 75 LYS C C 75 175.380 175.380 175.679 -0.299 19438 425 1 . 1 1 75 75 LYS CA C 75 57.060 57.060 54.508 2.552 19438 426 1 . 1 1 75 75 LYS CB C 75 35.740 35.740 33.935 1.805 19438 427 1 . 1 1 75 75 LYS H H 75 8.691 8.691 8.992 -0.301 19438 428 1 . 1 1 76 76 GLU N N 76 127.760 127.760 123.349 4.411 19438 429 1 . 1 1 76 76 GLU HA H 76 3.903 3.903 4.016 -0.113 19438 430 1 . 1 1 76 76 GLU C C 76 176.190 176.190 176.503 -0.313 19438 431 1 . 1 1 76 76 GLU CA C 76 57.450 57.450 57.380 0.071 19438 432 1 . 1 1 76 76 GLU CB C 76 27.830 27.830 27.684 0.146 19438 433 1 . 1 1 76 76 GLU H H 76 9.556 9.556 8.900 0.656 19438 434 1 . 1 1 77 77 GLY N N 77 106.560 106.560 109.154 -2.594 19438 435 1 . 1 1 77 77 GLY C C 77 174.320 174.320 174.042 0.278 19438 436 1 . 1 1 77 77 GLY CA C 77 45.640 45.640 45.056 0.584 19438 437 1 . 1 1 77 77 GLY H H 77 8.928 8.928 8.512 0.416 19438 438 1 . 1 1 78 78 LYS N N 78 121.600 121.600 122.472 -0.872 19438 439 1 . 1 1 78 78 LYS HA H 78 4.585 4.585 4.530 0.055 19438 440 1 . 1 1 78 78 LYS C C 78 175.240 175.240 174.920 0.320 19438 441 1 . 1 1 78 78 LYS CA C 78 55.380 55.380 55.413 -0.033 19438 442 1 . 1 1 78 78 LYS CB C 78 33.490 33.490 34.028 -0.538 19438 443 1 . 1 1 78 78 LYS H H 78 8.015 8.015 7.844 0.171 19438 444 1 . 1 1 79 79 LYS N N 79 120.990 120.990 122.226 -1.236 19438 445 1 . 1 1 79 79 LYS HA H 79 5.199 5.199 5.038 0.161 19438 446 1 . 1 1 79 79 LYS C C 79 176.150 176.150 175.136 1.014 19438 447 1 . 1 1 79 79 LYS CA C 79 55.070 55.070 54.408 0.662 19438 448 1 . 1 1 79 79 LYS CB C 79 35.080 35.080 35.741 -0.661 19438 449 1 . 1 1 79 79 LYS H H 79 8.438 8.438 8.306 0.132 19438 450 1 . 1 1 80 80 GLY N N 80 107.840 107.840 108.654 -0.814 19438 451 1 . 1 1 80 80 GLY C C 80 170.430 170.430 171.566 -1.136 19438 452 1 . 1 1 80 80 GLY CA C 80 45.260 45.260 45.225 0.035 19438 453 1 . 1 1 80 80 GLY H H 80 8.391 8.391 8.393 -0.002 19438 454 1 . 1 1 81 81 ILE N N 81 120.670 120.670 119.036 1.634 19438 455 1 . 1 1 81 81 ILE HA H 81 5.282 5.282 5.127 0.155 19438 456 1 . 1 1 81 81 ILE C C 81 175.210 175.210 174.292 0.918 19438 457 1 . 1 1 81 81 ILE CA C 81 58.640 58.640 59.433 -0.793 19438 458 1 . 1 1 81 81 ILE CB C 81 42.420 42.420 42.041 0.379 19438 459 1 . 1 1 81 81 ILE H H 81 8.623 8.623 8.952 -0.329 19438 460 1 . 1 1 82 82 VAL N N 82 121.970 121.970 125.403 -3.433 19438 461 1 . 1 1 82 82 VAL HA H 82 4.714 4.714 4.695 0.019 19438 462 1 . 1 1 82 82 VAL C C 82 174.230 174.230 174.756 -0.526 19438 463 1 . 1 1 82 82 VAL CA C 82 61.010 61.010 60.844 0.166 19438 464 1 . 1 1 82 82 VAL CB C 82 35.260 35.260 33.314 1.946 19438 465 1 . 1 1 82 82 VAL H H 82 8.967 8.967 9.108 -0.141 19438 466 1 . 1 1 83 83 HIS N N 83 129.690 129.690 127.791 1.899 19438 467 1 . 1 1 83 83 HIS HA H 83 5.219 5.219 5.121 0.098 19438 468 1 . 1 1 83 83 HIS C C 83 174.960 174.960 174.284 0.676 19438 469 1 . 1 1 83 83 HIS CA C 83 55.440 55.440 54.721 0.719 19438 470 1 . 1 1 83 83 HIS CB C 83 32.240 32.240 30.656 1.584 19438 471 1 . 1 1 83 83 HIS H H 83 8.960 8.960 9.350 -0.390 19438 472 1 . 1 1 84 84 VAL N N 84 125.620 125.620 126.913 -1.293 19438 473 1 . 1 1 84 84 VAL HA H 84 5.126 5.126 4.537 0.589 19438 474 1 . 1 1 84 84 VAL C C 84 174.590 174.590 174.371 0.219 19438 475 1 . 1 1 84 84 VAL CA C 84 62.230 62.230 61.555 0.675 19438 476 1 . 1 1 84 84 VAL CB C 84 34.020 34.020 32.293 1.727 19438 477 1 . 1 1 84 84 VAL H H 84 9.834 9.834 9.239 0.595 19438 478 1 . 1 1 85 85 LYS N N 85 125.370 125.370 126.798 -1.428 19438 479 1 . 1 1 85 85 LYS HA H 85 5.464 5.464 5.275 0.189 19438 480 1 . 1 1 85 85 LYS C C 85 174.890 174.890 174.968 -0.078 19438 481 1 . 1 1 85 85 LYS CA C 85 54.210 54.210 53.699 0.511 19438 482 1 . 1 1 85 85 LYS CB C 85 36.430 36.430 35.807 0.623 19438 483 1 . 1 1 85 85 LYS H H 85 9.517 9.517 9.079 0.438 19438 484 1 . 1 1 86 86 LEU N N 86 123.830 123.830 124.865 -1.035 19438 485 1 . 1 1 86 86 LEU HA H 86 5.147 5.147 4.801 0.346 19438 486 1 . 1 1 86 86 LEU C C 86 174.760 174.760 175.699 -0.939 19438 487 1 . 1 1 86 86 LEU CA C 86 54.210 54.210 53.945 0.265 19438 488 1 . 1 1 86 86 LEU CB C 86 44.830 44.830 42.942 1.887 19438 489 1 . 1 1 86 86 LEU H H 86 8.400 8.400 9.118 -0.718 19438 490 1 . 1 1 87 87 ARG N N 87 128.610 128.610 124.218 4.392 19438 491 1 . 1 1 87 87 ARG HA H 87 5.473 5.473 4.976 0.497 19438 492 1 . 1 1 87 87 ARG C C 87 176.130 176.130 175.235 0.895 19438 493 1 . 1 1 87 87 ARG CA C 87 54.970 54.970 54.300 0.670 19438 494 1 . 1 1 87 87 ARG CB C 87 34.230 34.230 32.928 1.302 19438 495 1 . 1 1 87 87 ARG H H 87 9.647 9.647 9.282 0.365 19438 496 1 . 1 1 88 88 LYS N N 88 122.810 122.810 125.127 -2.317 19438 497 1 . 1 1 88 88 LYS HA H 88 4.138 4.138 3.990 0.148 19438 498 1 . 1 1 88 88 LYS C C 88 174.890 174.890 175.417 -0.527 19438 499 1 . 1 1 88 88 LYS CA C 88 56.330 56.330 55.322 1.008 19438 500 1 . 1 1 88 88 LYS CB C 88 34.310 34.310 32.517 1.793 19438 501 1 . 1 1 88 88 LYS H H 88 8.510 8.510 8.529 -0.019 19438 502 1 . 1 1 89 89 ILE N N 89 120.880 120.880 129.325 -8.445 19438 503 1 . 1 1 89 89 ILE HA H 89 4.631 4.631 4.290 0.341 19438 504 1 . 1 1 89 89 ILE C C 89 176.400 176.400 174.466 1.934 19438 505 1 . 1 1 89 89 ILE CA C 89 60.670 60.670 61.247 -0.577 19438 506 1 . 1 1 89 89 ILE CB C 89 36.720 36.720 37.941 -1.221 19438 507 1 . 1 1 89 89 ILE H H 89 7.470 7.470 8.109 -0.639 19438 508 1 . 1 1 90 90 THR N N 90 116.610 116.610 122.501 -5.891 19438 509 1 . 1 1 90 90 THR HA H 90 4.700 4.700 4.599 0.101 19438 510 1 . 1 1 90 90 THR CA C 90 59.100 59.100 60.148 -1.048 19438 511 1 . 1 1 90 90 THR CB C 90 72.600 72.600 71.148 1.452 19438 512 1 . 1 1 90 90 THR H H 90 7.701 7.701 8.085 -0.384 19438 513 1 . 1 1 91 91 GLU HA H 91 4.030 4.030 4.203 -0.173 19438 514 1 . 1 1 91 91 GLU C C 91 177.100 177.100 176.736 0.364 19438 515 1 . 1 1 91 91 GLU CA C 91 59.640 59.640 58.332 1.308 19438 516 1 . 1 1 91 91 GLU CB C 91 29.050 29.050 29.409 -0.359 19438 517 1 . 1 1 92 92 ASN N N 92 113.650 113.650 116.302 -2.652 19438 518 1 . 1 1 92 92 ASN HA H 92 4.700 4.700 4.717 -0.017 19438 519 1 . 1 1 92 92 ASN C C 92 174.100 174.100 174.465 -0.365 19438 520 1 . 1 1 92 92 ASN CA C 92 53.490 53.490 53.534 -0.044 19438 521 1 . 1 1 92 92 ASN CB C 92 39.270 39.270 39.270 0.000 19438 522 1 . 1 1 92 92 ASN H H 92 7.915 7.915 8.082 -0.167 19438 523 1 . 1 1 93 93 CYS N N 93 120.190 120.190 121.064 -0.874 19438 524 1 . 1 1 93 93 CYS HA H 93 5.076 5.076 4.940 0.136 19438 525 1 . 1 1 93 93 CYS CA C 93 52.610 52.610 56.081 -3.471 19438 526 1 . 1 1 93 93 CYS CB C 93 42.090 42.090 28.704 13.386 19438 527 1 . 1 1 93 93 CYS H H 93 7.514 7.514 7.755 -0.241 19438 528 1 . 1 1 94 94 PRO HA H 94 4.790 4.790 4.798 -0.008 19438 529 1 . 1 1 95 95 PRO HA H 95 4.500 4.500 4.461 0.039 19438 530 1 . 1 1 95 95 PRO C C 95 177.770 177.770 176.204 1.566 19438 531 1 . 1 1 95 95 PRO CA C 95 62.740 62.740 62.612 0.128 19438 532 1 . 1 1 95 95 PRO CB C 95 32.100 32.100 32.355 -0.255 19438 533 1 . 1 1 96 96 VAL N N 96 123.600 123.600 121.180 2.420 19438 534 1 . 1 1 96 96 VAL HA H 96 3.947 3.947 4.187 -0.240 19438 535 1 . 1 1 96 96 VAL C C 96 175.780 175.780 175.691 0.089 19438 536 1 . 1 1 96 96 VAL CA C 96 62.100 62.100 61.363 0.737 19438 537 1 . 1 1 96 96 VAL CB C 96 32.580 32.580 32.930 -0.350 19438 538 1 . 1 1 96 96 VAL H H 96 9.071 9.071 8.430 0.641 19438 539 1 . 1 1 97 97 ASP N N 97 125.400 125.400 122.895 2.505 19438 540 1 . 1 1 97 97 ASP HA H 97 4.670 4.670 4.760 -0.090 19438 541 1 . 1 1 97 97 ASP C C 97 175.410 175.410 175.390 0.020 19438 542 1 . 1 1 97 97 ASP CA C 97 54.010 54.010 53.510 0.500 19438 543 1 . 1 1 97 97 ASP CB C 97 41.580 41.580 41.999 -0.419 19438 544 1 . 1 1 97 97 ASP H H 97 8.313 8.313 8.424 -0.111 19438 545 1 . 1 1 98 98 GLY N N 98 108.310 108.310 109.232 -0.922 19438 546 1 . 1 1 98 98 GLY C C 98 173.140 173.140 173.139 0.001 19438 547 1 . 1 1 98 98 GLY CA C 98 45.270 45.270 44.719 0.551 19438 548 1 . 1 1 98 98 GLY H H 98 7.838 7.838 8.112 -0.274 19438 549 1 . 1 1 99 99 ASN N N 99 120.050 120.050 120.098 -0.048 19438 550 1 . 1 1 99 99 ASN HA H 99 5.182 5.182 4.578 0.604 19438 551 1 . 1 1 99 99 ASN C C 99 174.700 174.700 174.977 -0.277 19438 552 1 . 1 1 99 99 ASN CA C 99 53.120 53.120 53.542 -0.422 19438 553 1 . 1 1 99 99 ASN CB C 99 39.360 39.360 39.111 0.249 19438 554 1 . 1 1 99 99 ASN H H 99 8.685 8.685 8.428 0.257 19438 555 1 . 1 1 100 100 ARG N N 100 121.100 121.100 124.818 -3.718 19438 556 1 . 1 1 100 100 ARG HA H 100 4.909 4.909 4.614 0.295 19438 557 1 . 1 1 100 100 ARG C C 100 176.930 176.930 175.820 1.110 19438 558 1 . 1 1 100 100 ARG CA C 100 55.810 55.810 55.657 0.153 19438 559 1 . 1 1 100 100 ARG CB C 100 31.710 31.710 30.308 1.402 19438 560 1 . 1 1 100 100 ARG H H 100 8.502 8.502 8.213 0.289 19438 561 1 . 1 1 101 101 CYS N N 101 121.180 121.180 125.211 -4.031 19438 562 1 . 1 1 101 101 CYS HA H 101 4.706 4.706 4.436 0.270 19438 563 1 . 1 1 101 101 CYS CA C 101 55.270 55.270 58.372 -3.102 19438 564 1 . 1 1 101 101 CYS H H 101 8.607 8.607 8.544 0.063 19438 565 1 . 1 1 102 102 SER HA H 102 4.565 4.565 4.443 0.122 19438 566 1 . 1 1 102 102 SER C C 102 174.220 174.220 173.627 0.593 19438 567 1 . 1 1 102 102 SER CA C 102 57.900 57.900 58.517 -0.617 19438 568 1 . 1 1 102 102 SER CB C 102 63.700 63.700 62.237 1.463 19438 569 1 . 1 1 103 103 VAL N N 103 122.910 122.910 125.005 -2.095 19438 570 1 . 1 1 103 103 VAL HA H 103 4.222 4.222 4.257 -0.035 19438 571 1 . 1 1 103 103 VAL C C 103 175.070 175.070 175.395 -0.325 19438 572 1 . 1 1 103 103 VAL CA C 103 62.440 62.440 62.150 0.290 19438 573 1 . 1 1 103 103 VAL H H 103 8.332 8.332 8.172 0.160 19438 574 1 . 1 1 104 104 LEU N N 104 125.940 125.940 126.167 -0.227 19438 575 1 . 1 1 104 104 LEU HA H 104 4.413 4.413 4.695 -0.282 19438 576 1 . 1 1 104 104 LEU C C 104 177.220 177.220 175.807 1.413 19438 577 1 . 1 1 104 104 LEU CA C 104 55.930 55.930 55.128 0.802 19438 578 1 . 1 1 104 104 LEU CB C 104 42.890 42.890 43.955 -1.066 19438 579 1 . 1 1 104 104 LEU H H 104 8.831 8.831 9.178 -0.347 19438 580 1 . 1 1 105 105 GLU N N 105 120.540 120.540 118.360 2.180 19438 581 1 . 1 1 105 105 GLU HA H 105 4.411 4.411 4.594 -0.183 19438 582 1 . 1 1 105 105 GLU C C 105 175.400 175.400 176.859 -1.459 19438 583 1 . 1 1 105 105 GLU CA C 105 55.890 55.890 55.320 0.570 19438 584 1 . 1 1 105 105 GLU CB C 105 30.460 30.460 31.755 -1.295 19438 585 1 . 1 1 105 105 GLU H H 105 8.070 8.070 7.895 0.175 19438 586 1 . 1 1 106 106 PHE N N 106 124.060 124.060 123.948 0.112 19438 587 1 . 1 1 106 106 PHE HA H 106 4.061 4.061 4.100 -0.039 19438 588 1 . 1 1 106 106 PHE C C 106 175.880 175.880 176.859 -0.979 19438 589 1 . 1 1 106 106 PHE CA C 106 62.120 62.120 61.942 0.178 19438 590 1 . 1 1 106 106 PHE CB C 106 39.670 39.670 39.280 0.390 19438 591 1 . 1 1 106 106 PHE H H 106 8.666 8.666 8.939 -0.273 19438 592 1 . 1 1 107 107 GLU N N 107 117.290 117.290 118.157 -0.867 19438 593 1 . 1 1 107 107 GLU HA H 107 3.886 3.886 3.806 0.080 19438 594 1 . 1 1 107 107 GLU C C 107 178.050 178.050 179.109 -1.059 19438 595 1 . 1 1 107 107 GLU CA C 107 59.360 59.360 59.679 -0.319 19438 596 1 . 1 1 107 107 GLU CB C 107 29.330 29.330 29.171 0.159 19438 597 1 . 1 1 107 107 GLU H H 107 8.932 8.932 8.678 0.254 19438 598 1 . 1 1 108 108 ARG N N 108 117.240 117.240 118.631 -1.391 19438 599 1 . 1 1 108 108 ARG HA H 108 4.308 4.308 4.244 0.064 19438 600 1 . 1 1 108 108 ARG C C 108 177.930 177.930 178.314 -0.384 19438 601 1 . 1 1 108 108 ARG CA C 108 57.120 57.120 57.908 -0.788 19438 602 1 . 1 1 108 108 ARG CB C 108 31.110 31.110 30.088 1.022 19438 603 1 . 1 1 108 108 ARG H H 108 7.533 7.533 7.971 -0.438 19438 604 1 . 1 1 109 109 ASP N N 109 120.040 120.040 121.405 -1.365 19438 605 1 . 1 1 109 109 ASP HA H 109 4.600 4.600 4.418 0.182 19438 606 1 . 1 1 109 109 ASP C C 109 177.980 177.980 178.468 -0.488 19438 607 1 . 1 1 109 109 ASP CA C 109 56.810 56.810 57.419 -0.609 19438 608 1 . 1 1 109 109 ASP CB C 109 41.500 41.500 40.503 0.997 19438 609 1 . 1 1 109 109 ASP H H 109 8.295 8.295 8.012 0.283 19438 610 1 . 1 1 110 110 ILE N N 110 118.710 118.710 120.181 -1.471 19438 611 1 . 1 1 110 110 ILE HA H 110 3.794 3.794 3.614 0.180 19438 612 1 . 1 1 110 110 ILE C C 110 176.740 176.740 176.830 -0.090 19438 613 1 . 1 1 110 110 ILE CA C 110 61.850 61.850 63.701 -1.851 19438 614 1 . 1 1 110 110 ILE CB C 110 37.030 37.030 37.768 -0.738 19438 615 1 . 1 1 110 110 ILE H H 110 8.081 8.081 8.203 -0.122 19438 616 1 . 1 1 111 111 GLU N N 111 121.140 121.140 120.164 0.976 19438 617 1 . 1 1 111 111 GLU HA H 111 3.962 3.962 3.897 0.065 19438 618 1 . 1 1 111 111 GLU C C 111 177.400 177.400 178.615 -1.215 19438 619 1 . 1 1 111 111 GLU CA C 111 59.600 59.600 59.680 -0.080 19438 620 1 . 1 1 111 111 GLU CB C 111 29.300 29.300 29.311 -0.012 19438 621 1 . 1 1 111 111 GLU H H 111 7.558 7.558 7.804 -0.246 19438 622 1 . 1 1 112 112 CYS N N 112 117.380 117.380 119.233 -1.853 19438 623 1 . 1 1 112 112 CYS HA H 112 4.103 4.103 4.192 -0.089 19438 624 1 . 1 1 112 112 CYS C C 112 176.570 176.570 177.101 -0.531 19438 625 1 . 1 1 112 112 CYS CA C 112 59.290 59.290 62.624 -3.335 19438 626 1 . 1 1 112 112 CYS CB C 112 41.910 41.910 26.166 15.744 19438 627 1 . 1 1 112 112 CYS H H 112 7.739 7.739 8.069 -0.330 19438 628 1 . 1 1 113 113 ILE N N 113 118.520 118.520 121.052 -2.532 19438 629 1 . 1 1 113 113 ILE HA H 113 3.833 3.833 3.749 0.084 19438 630 1 . 1 1 113 113 ILE C C 113 177.220 177.220 178.353 -1.133 19438 631 1 . 1 1 113 113 ILE CA C 113 63.410 63.410 63.878 -0.468 19438 632 1 . 1 1 113 113 ILE CB C 113 37.430 37.430 36.742 0.688 19438 633 1 . 1 1 113 113 ILE H H 113 7.682 7.682 8.089 -0.407 19438 634 1 . 1 1 114 114 VAL N N 114 120.390 120.390 120.431 -0.041 19438 635 1 . 1 1 114 114 VAL HA H 114 3.468 3.468 3.509 -0.041 19438 636 1 . 1 1 114 114 VAL C C 114 177.970 177.970 177.904 0.066 19438 637 1 . 1 1 114 114 VAL CA C 114 67.960 67.960 67.191 0.769 19438 638 1 . 1 1 114 114 VAL CB C 114 31.730 31.730 31.107 0.623 19438 639 1 . 1 1 114 114 VAL H H 114 7.765 7.765 8.381 -0.616 19438 640 1 . 1 1 115 115 LYS N N 115 118.840 118.840 120.027 -1.187 19438 641 1 . 1 1 115 115 LYS HA H 115 4.129 4.129 4.030 0.099 19438 642 1 . 1 1 115 115 LYS C C 115 178.870 178.870 178.716 0.154 19438 643 1 . 1 1 115 115 LYS CA C 115 59.300 59.300 59.637 -0.337 19438 644 1 . 1 1 115 115 LYS CB C 115 31.910 31.910 32.113 -0.203 19438 645 1 . 1 1 115 115 LYS H H 115 8.314 8.314 8.359 -0.045 19438 646 1 . 1 1 116 116 ALA N N 116 121.000 121.000 122.401 -1.401 19438 647 1 . 1 1 116 116 ALA HA H 116 4.226 4.226 4.127 0.099 19438 648 1 . 1 1 116 116 ALA C C 116 181.600 181.600 179.722 1.878 19438 649 1 . 1 1 116 116 ALA CA C 116 55.320 55.320 54.948 0.372 19438 650 1 . 1 1 116 116 ALA CB C 116 18.650 18.650 18.301 0.349 19438 651 1 . 1 1 116 116 ALA H H 116 7.427 7.427 7.755 -0.328 19438 652 1 . 1 1 117 117 ILE N N 117 120.090 120.090 118.981 1.109 19438 653 1 . 1 1 117 117 ILE HA H 117 3.313 3.313 3.499 -0.186 19438 654 1 . 1 1 117 117 ILE C C 117 177.630 177.630 177.813 -0.183 19438 655 1 . 1 1 117 117 ILE CA C 117 66.510 66.510 65.507 1.003 19438 656 1 . 1 1 117 117 ILE CB C 117 37.860 37.860 37.519 0.341 19438 657 1 . 1 1 117 117 ILE H H 117 8.121 8.121 8.056 0.065 19438 658 1 . 1 1 118 118 GLU N N 118 119.300 119.300 119.356 -0.056 19438 659 1 . 1 1 118 118 GLU HA H 118 3.886 3.886 4.030 -0.144 19438 660 1 . 1 1 118 118 GLU C C 118 179.850 179.850 179.319 0.531 19438 661 1 . 1 1 118 118 GLU CA C 118 60.760 60.760 59.814 0.946 19438 662 1 . 1 1 118 118 GLU CB C 118 29.650 29.650 29.212 0.438 19438 663 1 . 1 1 118 118 GLU H H 118 8.657 8.657 8.549 0.108 19438 664 1 . 1 1 119 119 GLU N N 119 119.080 119.080 119.832 -0.752 19438 665 1 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.158 -0.090 19438 666 1 . 1 1 119 119 GLU C C 119 178.670 178.670 178.808 -0.138 19438 667 1 . 1 1 119 119 GLU CA C 119 59.390 59.390 59.113 0.277 19438 668 1 . 1 1 119 119 GLU CB C 119 29.720 29.720 29.566 0.154 19438 669 1 . 1 1 119 119 GLU H H 119 8.596 8.596 8.275 0.321 19438 670 1 . 1 1 120 120 CYS N N 120 117.950 117.950 119.393 -1.443 19438 671 1 . 1 1 120 120 CYS HA H 120 4.442 4.442 4.513 -0.071 19438 672 1 . 1 1 120 120 CYS C C 120 177.280 177.280 177.356 -0.076 19438 673 1 . 1 1 120 120 CYS CA C 120 58.480 58.480 62.157 -3.677 19438 674 1 . 1 1 120 120 CYS CB C 120 39.420 39.420 26.126 13.294 19438 675 1 . 1 1 120 120 CYS H H 120 7.686 7.686 7.964 -0.278 19438 676 1 . 1 1 121 121 LEU N N 121 118.000 118.000 119.998 -1.998 19438 677 1 . 1 1 121 121 LEU HA H 121 4.021 4.021 4.257 -0.236 19438 678 1 . 1 1 121 121 LEU C C 121 179.010 179.010 179.032 -0.022 19438 679 1 . 1 1 121 121 LEU CA C 121 57.670 57.670 57.362 0.308 19438 680 1 . 1 1 121 121 LEU CB C 121 41.380 41.380 41.798 -0.418 19438 681 1 . 1 1 121 121 LEU H H 121 8.194 8.194 8.270 -0.076 19438 682 1 . 1 1 122 122 ALA N N 122 119.940 119.940 120.350 -0.410 19438 683 1 . 1 1 122 122 ALA HA H 122 4.226 4.226 4.184 0.042 19438 684 1 . 1 1 122 122 ALA C C 122 179.040 179.040 178.808 0.232 19438 685 1 . 1 1 122 122 ALA CA C 122 54.160 54.160 54.053 0.107 19438 686 1 . 1 1 122 122 ALA CB C 122 18.880 18.880 18.750 0.130 19438 687 1 . 1 1 122 122 ALA H H 122 7.974 7.974 7.899 0.075 19438 688 1 . 1 1 123 123 LYS N N 123 117.940 117.940 117.831 0.109 19438 689 1 . 1 1 123 123 LYS HA H 123 4.191 4.191 4.164 0.027 19438 690 1 . 1 1 123 123 LYS C C 123 177.770 177.770 176.989 0.781 19438 691 1 . 1 1 123 123 LYS CA C 123 57.710 57.710 56.012 1.698 19438 692 1 . 1 1 123 123 LYS CB C 123 32.570 32.570 32.555 0.015 19438 693 1 . 1 1 123 123 LYS H H 123 7.774 7.774 7.897 -0.123 19438 694 1 . 1 1 124 124 GLY N N 124 107.510 107.510 107.878 -0.368 19438 695 1 . 1 1 124 124 GLY C C 124 174.290 174.290 173.563 0.727 19438 696 1 . 1 1 124 124 GLY CA C 124 46.060 46.060 44.976 1.084 19438 697 1 . 1 1 124 124 GLY H H 124 8.084 8.084 7.423 0.661 19438 698 1 . 1 1 125 125 GLU N N 125 120.170 120.170 120.851 -0.681 19438 699 1 . 1 1 125 125 GLU HA H 125 4.318 4.318 3.967 0.351 19438 700 1 . 1 1 125 125 GLU C C 125 176.940 176.940 175.049 1.891 19438 701 1 . 1 1 125 125 GLU CA C 125 56.780 56.780 56.329 0.451 19438 702 1 . 1 1 125 125 GLU CB C 125 30.760 30.760 28.603 2.157 19438 703 1 . 1 1 125 125 GLU H H 125 7.997 7.997 8.335 -0.338 19438 704 1 . 1 1 126 126 LEU N N 126 122.210 122.210 121.967 0.243 19438 705 1 . 1 1 126 126 LEU HA H 126 4.310 4.310 4.492 -0.182 19438 706 1 . 1 1 126 126 LEU C C 126 177.320 177.320 175.037 2.283 19438 707 1 . 1 1 126 126 LEU CA C 126 55.940 55.940 54.251 1.689 19438 708 1 . 1 1 126 126 LEU CB C 126 42.540 42.540 44.400 -1.860 19438 709 1 . 1 1 126 126 LEU H H 126 8.218 8.218 7.789 0.429 19438 710 1 . 1 1 127 127 ASN N N 127 119.250 119.250 121.734 -2.484 19438 711 1 . 1 1 127 127 ASN HA H 127 4.694 4.694 4.826 -0.132 19438 712 1 . 1 1 127 127 ASN C C 127 175.720 175.720 174.149 1.571 19438 713 1 . 1 1 127 127 ASN CA C 127 53.930 53.930 53.332 0.598 19438 714 1 . 1 1 127 127 ASN CB C 127 38.970 38.970 39.683 -0.713 19438 715 1 . 1 1 127 127 ASN H H 127 8.445 8.445 8.669 -0.224 19438 716 1 . 1 1 128 128 SER N N 128 116.060 116.060 119.004 -2.944 19438 717 1 . 1 1 128 128 SER HA H 128 4.373 4.373 4.548 -0.175 19438 718 1 . 1 1 128 128 SER C C 128 174.830 174.830 173.345 1.485 19438 719 1 . 1 1 128 128 SER CA C 128 59.120 59.120 58.413 0.707 19438 720 1 . 1 1 128 128 SER CB C 128 63.830 63.830 64.161 -0.331 19438 721 1 . 1 1 128 128 SER H H 128 8.182 8.182 8.544 -0.362 19438 722 1 . 1 1 129 129 LYS N N 129 122.520 122.520 123.894 -1.374 19438 723 1 . 1 1 129 129 LYS HA H 129 4.358 4.358 4.401 -0.043 19438 724 1 . 1 1 129 129 LYS C C 129 176.750 176.750 175.121 1.629 19438 725 1 . 1 1 129 129 LYS CA C 129 56.710 56.710 56.277 0.433 19438 726 1 . 1 1 129 129 LYS CB C 129 32.760 32.760 33.093 -0.333 19438 727 1 . 1 1 129 129 LYS H H 129 8.154 8.154 8.539 -0.385 19438 728 1 . 1 1 130 130 LEU N N 130 122.340 122.340 123.654 -1.314 19438 729 1 . 1 1 130 130 LEU HA H 130 4.328 4.328 4.518 -0.190 19438 730 1 . 1 1 130 130 LEU C C 130 177.430 177.430 175.646 1.784 19438 731 1 . 1 1 130 130 LEU CA C 130 57.430 57.430 54.720 2.710 19438 732 1 . 1 1 130 130 LEU CB C 130 42.380 42.380 42.928 -0.548 19438 733 1 . 1 1 130 130 LEU H H 130 8.070 8.070 8.315 -0.245 19438 734 1 . 1 1 131 131 GLU N N 131 121.450 121.450 122.819 -1.369 19438 735 1 . 1 1 131 131 GLU HA H 131 4.295 4.295 4.486 -0.191 19438 736 1 . 1 1 131 131 GLU C C 131 176.920 176.920 175.864 1.056 19438 737 1 . 1 1 131 131 GLU CA C 131 56.690 56.690 55.830 0.860 19438 738 1 . 1 1 131 131 GLU CB C 131 30.380 30.380 30.587 -0.207 19438 739 1 . 1 1 131 131 GLU H H 131 8.250 8.250 8.439 -0.189 19438 740 1 . 1 1 132 132 GLY N N 132 109.900 109.900 110.258 -0.358 19438 741 1 . 1 1 132 132 GLY C C 132 173.770 173.770 173.255 0.515 19438 742 1 . 1 1 132 132 GLY CA C 132 45.290 45.290 44.969 0.321 19438 743 1 . 1 1 132 132 GLY H H 132 8.334 8.334 8.267 0.067 19438 744 1 . 1 1 133 133 LYS N N 133 121.920 121.920 121.715 0.205 19438 745 1 . 1 1 133 133 LYS HA H 133 4.664 4.664 4.763 -0.099 19438 746 1 . 1 1 133 133 LYS CA C 133 54.150 54.150 53.479 0.671 19438 747 1 . 1 1 133 133 LYS CB C 133 32.710 32.710 33.777 -1.067 19438 748 1 . 1 1 133 133 LYS H H 133 8.037 8.037 8.412 -0.375 19438 749 1 . 1 1 134 134 PRO HA H 134 4.451 4.451 4.553 -0.102 19438 750 1 . 1 1 134 134 PRO C C 134 176.670 176.670 175.818 0.852 19438 751 1 . 1 1 134 134 PRO CA C 134 62.940 62.940 62.939 0.001 19438 752 1 . 1 1 134 134 PRO CB C 134 31.890 31.890 31.931 -0.041 19438 753 1 . 1 1 135 135 ILE N N 135 122.710 122.710 124.703 -1.993 19438 754 1 . 1 1 135 135 ILE HA H 135 4.428 4.428 4.444 -0.016 19438 755 1 . 1 1 135 135 ILE CA C 135 58.770 58.770 57.308 1.462 19438 756 1 . 1 1 135 135 ILE CB C 135 38.640 38.640 38.886 -0.246 19438 757 1 . 1 1 135 135 ILE H H 135 8.227 8.227 8.106 0.121 19438 758 1 . 1 1 136 136 PRO HA H 136 4.372 4.372 4.486 -0.114 19438 759 1 . 1 1 136 136 PRO C C 136 176.330 176.330 175.773 0.557 19438 760 1 . 1 1 136 136 PRO CA C 136 63.250 63.250 62.440 0.810 19438 761 1 . 1 1 136 136 PRO CB C 136 32.010 32.010 32.319 -0.310 19438 762 1 . 1 1 137 137 ASN HA H 137 4.941 4.941 4.894 0.047 19438 763 1 . 1 1 137 137 ASN CA C 137 51.270 51.270 51.359 -0.089 19438 764 1 . 1 1 137 137 ASN CB C 137 38.670 38.670 38.973 -0.303 19438 765 1 . 1 1 137 137 ASN H H 137 8.383 8.383 8.373 0.010 19438 766 1 . 1 1 138 138 PRO HA H 138 4.404 4.404 4.398 0.006 19438 767 1 . 1 1 138 138 PRO C C 138 177.210 177.210 175.920 1.290 19438 768 1 . 1 1 138 138 PRO CA C 138 63.310 63.310 63.542 -0.232 19438 769 1 . 1 1 138 138 PRO CB C 138 32.100 32.100 31.816 0.284 19438 770 1 . 1 1 139 139 LEU N N 139 119.860 119.860 119.610 0.250 19438 771 1 . 1 1 139 139 LEU HA H 139 4.301 4.301 4.337 -0.036 19438 772 1 . 1 1 139 139 LEU C C 139 177.640 177.640 175.542 2.098 19438 773 1 . 1 1 139 139 LEU CA C 139 55.610 55.610 54.538 1.072 19438 774 1 . 1 1 139 139 LEU CB C 139 41.540 41.540 42.046 -0.505 19438 775 1 . 1 1 139 139 LEU H H 139 8.096 8.096 7.755 0.341 19438 776 1 . 1 1 140 140 LEU N N 140 121.040 121.040 124.319 -3.279 19438 777 1 . 1 1 140 140 LEU HA H 140 4.315 4.315 4.602 -0.287 19438 778 1 . 1 1 140 140 LEU C C 140 177.840 177.840 176.281 1.559 19438 779 1 . 1 1 140 140 LEU CA C 140 55.370 55.370 54.464 0.906 19438 780 1 . 1 1 140 140 LEU CB C 140 42.390 42.390 42.745 -0.355 19438 781 1 . 1 1 140 140 LEU H H 140 7.749 7.749 8.335 -0.586 19438 782 1 . 1 1 141 141 GLY N N 141 108.960 108.960 112.315 -3.355 19438 783 1 . 1 1 141 141 GLY C C 141 174.380 174.380 173.557 0.823 19438 784 1 . 1 1 141 141 GLY CA C 141 45.650 45.650 45.222 0.428 19438 785 1 . 1 1 141 141 GLY H H 141 8.231 8.231 8.391 -0.160 19438 786 1 . 1 1 142 142 LEU N N 142 121.470 121.470 121.680 -0.210 19438 787 1 . 1 1 142 142 LEU HA H 142 4.336 4.336 4.668 -0.332 19438 788 1 . 1 1 142 142 LEU C C 142 177.390 177.390 175.564 1.826 19438 789 1 . 1 1 142 142 LEU CA C 142 55.630 55.630 54.315 1.315 19438 790 1 . 1 1 142 142 LEU CB C 142 42.600 42.600 42.870 -0.270 19438 791 1 . 1 1 142 142 LEU H H 142 8.004 8.004 8.155 -0.151 19438 792 1 . 1 1 143 143 ASP N N 143 120.770 120.770 122.922 -2.152 19438 793 1 . 1 1 143 143 ASP HA H 143 4.673 4.673 4.783 -0.110 19438 794 1 . 1 1 143 143 ASP C C 143 176.870 176.870 175.321 1.549 19438 795 1 . 1 1 143 143 ASP CA C 143 54.400 54.400 53.725 0.675 19438 796 1 . 1 1 143 143 ASP CB C 143 41.170 41.170 42.096 -0.926 19438 797 1 . 1 1 143 143 ASP H H 143 8.380 8.380 8.334 0.046 19438 798 1 . 1 1 144 144 SER N N 144 116.820 116.820 118.851 -2.031 19438 799 1 . 1 1 144 144 SER HA H 144 4.413 4.413 4.690 -0.277 19438 800 1 . 1 1 144 144 SER C C 144 175.300 175.300 174.009 1.291 19438 801 1 . 1 1 144 144 SER CA C 144 59.190 59.190 58.179 1.011 19438 802 1 . 1 1 144 144 SER CB C 144 63.770 63.770 63.826 -0.056 19438 803 1 . 1 1 144 144 SER H H 144 8.298 8.298 8.369 -0.071 19438 804 1 . 1 1 145 145 THR N N 145 114.870 114.870 118.835 -3.965 19438 805 1 . 1 1 145 145 THR HA H 145 4.419 4.419 4.388 0.031 19438 806 1 . 1 1 145 145 THR C C 145 175.070 175.070 173.903 1.167 19438 807 1 . 1 1 145 145 THR CA C 145 62.880 62.880 62.233 0.647 19438 808 1 . 1 1 145 145 THR CB C 145 69.710 69.710 69.414 0.296 19438 809 1 . 1 1 145 145 THR H H 145 8.208 8.208 8.290 -0.082 19438 810 1 . 1 1 146 146 ARG N N 146 122.450 122.450 124.985 -2.535 19438 811 1 . 1 1 146 146 ARG HA H 146 4.382 4.382 4.457 -0.075 19438 812 1 . 1 1 146 146 ARG C C 146 176.570 176.570 175.425 1.145 19438 813 1 . 1 1 146 146 ARG CA C 146 56.350 56.350 55.957 0.393 19438 814 1 . 1 1 146 146 ARG CB C 146 30.620 30.620 30.983 -0.363 19438 815 1 . 1 1 146 146 ARG H H 146 8.122 8.122 8.278 -0.156 19438 816 1 . 1 1 147 147 THR N N 147 113.830 113.830 118.617 -4.787 19438 817 1 . 1 1 147 147 THR HA H 147 4.400 4.400 4.457 -0.057 19438 818 1 . 1 1 147 147 THR C C 147 175.200 175.200 174.299 0.901 19438 819 1 . 1 1 147 147 THR CA C 147 62.110 62.110 62.303 -0.193 19438 820 1 . 1 1 147 147 THR CB C 147 69.950 69.950 69.379 0.571 19438 821 1 . 1 1 147 147 THR H H 147 8.039 8.039 8.413 -0.374 19438 stop_ save_