data_17967 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17967 _Entry.PDB_ID 2LJX 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 17967 _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 ALA HA H 0 4.290 4.290 4.625 -0.335 17967 2 1 1 . 1 1 2 2 ALA CA C 0 52.530 52.530 52.007 0.523 17967 3 1 1 . 1 1 2 2 ALA CB C 0 19.730 19.730 20.370 -0.640 17967 4 1 1 . 1 1 3 3 MET N N 1 122.210 122.210 125.566 -3.356 17967 5 1 1 . 1 1 3 3 MET HA H 1 4.300 4.300 5.060 -0.760 17967 6 1 1 . 1 1 3 3 MET CA C 1 56.030 56.030 55.100 0.930 17967 7 1 1 . 1 1 3 3 MET CB C 1 33.430 33.430 34.036 -0.606 17967 8 1 1 . 1 1 3 3 MET H H 1 8.370 8.370 8.494 -0.124 17967 9 1 1 . 1 1 4 4 PHE N N 2 122.310 122.310 126.837 -4.527 17967 10 1 1 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.790 -0.160 17967 11 1 1 . 1 1 4 4 PHE CA C 2 57.330 57.330 56.283 1.047 17967 12 1 1 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.091 -0.661 17967 13 1 1 . 1 1 4 4 PHE H H 2 8.370 8.370 8.399 -0.029 17967 14 1 1 . 1 1 5 5 GLN N N 3 123.510 123.510 124.516 -1.006 17967 15 1 1 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.469 -0.289 17967 16 1 1 . 1 1 5 5 GLN CA C 3 56.130 56.130 54.173 1.957 17967 17 1 1 . 1 1 5 5 GLN CB C 3 29.930 29.930 32.455 -2.525 17967 18 1 1 . 1 1 5 5 GLN H H 3 8.260 8.260 8.349 -0.089 17967 19 1 1 . 1 1 6 6 ASP N N 4 125.010 125.010 121.373 3.637 17967 20 1 1 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.439 0.351 17967 21 1 1 . 1 1 6 6 ASP CA C 4 51.930 51.930 53.903 -1.973 17967 22 1 1 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.265 0.465 17967 23 1 1 . 1 1 6 6 ASP H H 4 8.420 8.420 8.261 0.159 17967 24 1 1 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.432 -0.312 17967 25 1 1 . 1 1 7 7 PRO CA C 5 64.030 64.030 63.218 0.812 17967 26 1 1 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.896 0.434 17967 27 1 1 . 1 1 8 8 GLN N N 6 119.710 119.710 120.704 -0.994 17967 28 1 1 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.147 0.013 17967 29 1 1 . 1 1 8 8 GLN CA C 6 56.630 56.630 54.680 1.950 17967 30 1 1 . 1 1 8 8 GLN CB C 6 29.330 29.330 25.713 3.617 17967 31 1 1 . 1 1 8 8 GLN H H 6 8.430 8.430 7.478 0.952 17967 32 1 1 . 1 1 9 9 GLU N N 7 122.110 122.110 122.492 -0.382 17967 33 1 1 . 1 1 9 9 GLU HA H 7 4.200 4.200 3.912 0.288 17967 34 1 1 . 1 1 9 9 GLU CA C 7 56.030 56.030 57.797 -1.767 17967 35 1 1 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.947 0.583 17967 36 1 1 . 1 1 9 9 GLU H H 7 7.940 7.940 8.126 -0.186 17967 37 1 1 . 1 1 10 10 ARG N N 8 123.410 123.410 114.074 9.336 17967 38 1 1 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.268 0.132 17967 39 1 1 . 1 1 10 10 ARG CA C 8 54.130 54.130 56.133 -2.003 17967 40 1 1 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.299 1.031 17967 41 1 1 . 1 1 10 10 ARG H H 8 7.660 7.660 8.172 -0.512 17967 42 1 1 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.683 -0.333 17967 43 1 1 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.296 1.234 17967 44 1 1 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.916 -0.286 17967 45 1 1 . 1 1 12 12 ARG N N 10 123.810 123.810 117.042 6.768 17967 46 1 1 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.921 -0.251 17967 47 1 1 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.621 1.209 17967 48 1 1 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.951 0.579 17967 49 1 1 . 1 1 12 12 ARG H H 10 8.710 8.710 8.828 -0.118 17967 50 1 1 . 1 1 13 13 LYS N N 11 118.410 118.410 119.545 -1.135 17967 51 1 1 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.802 0.248 17967 52 1 1 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.549 -1.219 17967 53 1 1 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.679 0.751 17967 54 1 1 . 1 1 13 13 LYS H H 11 7.800 7.800 7.703 0.097 17967 55 1 1 . 1 1 14 14 LEU N N 12 125.010 125.010 126.136 -1.126 17967 56 1 1 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.183 -0.013 17967 57 1 1 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.209 0.521 17967 58 1 1 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.967 0.563 17967 59 1 1 . 1 1 14 14 LEU H H 12 10.210 10.210 9.193 1.017 17967 60 1 1 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.263 -0.043 17967 61 1 1 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.692 1.538 17967 62 1 1 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.022 -0.292 17967 63 1 1 . 1 1 16 16 GLN N N 14 117.810 117.810 117.443 0.367 17967 64 1 1 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.132 0.058 17967 65 1 1 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.950 0.080 17967 66 1 1 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.320 0.310 17967 67 1 1 . 1 1 16 16 GLN H H 14 7.110 7.110 8.320 -1.210 17967 68 1 1 . 1 1 17 17 LEU N N 15 124.710 124.710 122.311 2.399 17967 69 1 1 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.344 -0.334 17967 70 1 1 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.489 0.841 17967 71 1 1 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.823 0.207 17967 72 1 1 . 1 1 17 17 LEU H H 15 8.010 8.010 8.112 -0.102 17967 73 1 1 . 1 1 18 18 CYS N N 16 117.210 117.210 116.235 0.975 17967 74 1 1 . 1 1 18 18 CYS HA H 16 3.750 3.750 3.998 -0.248 17967 75 1 1 . 1 1 18 18 CYS CA C 16 64.730 64.730 64.063 0.667 17967 76 1 1 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.981 0.249 17967 77 1 1 . 1 1 18 18 CYS H H 16 8.380 8.380 8.394 -0.014 17967 78 1 1 . 1 1 19 19 THR N N 17 117.810 117.810 116.407 1.403 17967 79 1 1 . 1 1 19 19 THR HA H 17 4.000 4.000 4.056 -0.056 17967 80 1 1 . 1 1 19 19 THR CA C 17 66.830 66.830 67.074 -0.244 17967 81 1 1 . 1 1 19 19 THR CB C 17 68.830 68.830 68.612 0.217 17967 82 1 1 . 1 1 19 19 THR H H 17 7.720 7.720 7.500 0.220 17967 83 1 1 . 1 1 20 20 GLU N N 18 125.410 125.410 120.898 4.512 17967 84 1 1 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.170 -0.100 17967 85 1 1 . 1 1 20 20 GLU CA C 18 59.730 59.730 59.284 0.446 17967 86 1 1 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.445 0.285 17967 87 1 1 . 1 1 20 20 GLU H H 18 8.010 8.010 7.560 0.450 17967 88 1 1 . 1 1 21 21 LEU N N 19 118.810 118.810 116.645 2.165 17967 89 1 1 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.335 -0.035 17967 90 1 1 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.479 -0.649 17967 91 1 1 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.914 0.416 17967 92 1 1 . 1 1 21 21 LEU H H 19 8.010 8.010 7.923 0.087 17967 93 1 1 . 1 1 22 22 GLN N N 20 118.310 118.310 115.203 3.107 17967 94 1 1 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.090 -0.140 17967 95 1 1 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.272 -0.542 17967 96 1 1 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.188 -0.058 17967 97 1 1 . 1 1 22 22 GLN H H 20 7.860 7.860 7.832 0.028 17967 98 1 1 . 1 1 23 23 THR N N 21 115.910 115.910 112.190 3.720 17967 99 1 1 . 1 1 23 23 THR HA H 21 4.950 4.950 4.573 0.377 17967 100 1 1 . 1 1 23 23 THR CA C 21 58.530 58.530 60.244 -1.714 17967 101 1 1 . 1 1 23 23 THR CB C 21 70.330 70.330 70.998 -0.668 17967 102 1 1 . 1 1 23 23 THR H H 21 8.250 8.250 8.190 0.060 17967 103 1 1 . 1 1 24 24 THR N N 22 112.810 112.810 114.074 -1.264 17967 104 1 1 . 1 1 24 24 THR HA H 22 4.880 4.880 4.589 0.291 17967 105 1 1 . 1 1 24 24 THR CA C 22 59.730 59.730 60.112 -0.382 17967 106 1 1 . 1 1 24 24 THR CB C 22 74.130 74.130 71.141 2.989 17967 107 1 1 . 1 1 24 24 THR H H 22 8.660 8.660 7.795 0.865 17967 108 1 1 . 1 1 25 25 ILE N N 23 123.710 123.710 119.985 3.725 17967 109 1 1 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.737 0.043 17967 110 1 1 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.035 -0.605 17967 111 1 1 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.996 0.634 17967 112 1 1 . 1 1 25 25 ILE H H 23 9.060 9.060 8.147 0.913 17967 113 1 1 . 1 1 26 26 HIS N N 24 119.510 119.510 112.985 6.525 17967 114 1 1 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.756 -0.316 17967 115 1 1 . 1 1 26 26 HIS CA C 24 57.030 57.030 54.925 2.105 17967 116 1 1 . 1 1 26 26 HIS CB C 24 30.830 30.830 28.799 2.030 17967 117 1 1 . 1 1 26 26 HIS H H 24 7.040 7.040 7.477 -0.437 17967 118 1 1 . 1 1 27 27 ASP N N 25 116.810 116.810 118.347 -1.537 17967 119 1 1 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.641 0.119 17967 120 1 1 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.305 0.125 17967 121 1 1 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.136 1.194 17967 122 1 1 . 1 1 27 27 ASP H H 25 7.250 7.250 7.560 -0.310 17967 123 1 1 . 1 1 28 28 ILE N N 26 123.210 123.210 122.228 0.982 17967 124 1 1 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.807 0.123 17967 125 1 1 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.600 0.430 17967 126 1 1 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.541 -0.611 17967 127 1 1 . 1 1 28 28 ILE H H 26 7.750 7.750 7.915 -0.165 17967 128 1 1 . 1 1 29 29 ILE N N 27 131.110 131.110 129.127 1.983 17967 129 1 1 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.061 0.319 17967 130 1 1 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.863 -1.033 17967 131 1 1 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.273 1.357 17967 132 1 1 . 1 1 29 29 ILE H H 27 8.270 8.270 8.267 0.003 17967 133 1 1 . 1 1 30 30 LEU N N 28 129.410 129.410 128.837 0.573 17967 134 1 1 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.731 -0.071 17967 135 1 1 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.192 -0.662 17967 136 1 1 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.554 2.776 17967 137 1 1 . 1 1 30 30 LEU H H 28 8.500 8.500 8.246 0.254 17967 138 1 1 . 1 1 31 31 GLU N N 29 121.910 121.910 121.242 0.668 17967 139 1 1 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.705 -0.025 17967 140 1 1 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.287 0.643 17967 141 1 1 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.442 0.588 17967 142 1 1 . 1 1 31 31 GLU H H 29 8.860 8.860 8.243 0.617 17967 143 1 1 . 1 1 32 32 CYS N N 30 125.710 125.710 120.451 5.259 17967 144 1 1 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.779 -0.759 17967 145 1 1 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.483 -1.252 17967 146 1 1 . 1 1 32 32 CYS CB C 30 31.730 31.730 26.779 4.951 17967 147 1 1 . 1 1 32 32 CYS H H 30 8.270 8.270 8.495 -0.225 17967 148 1 1 . 1 1 33 33 VAL N N 31 132.310 132.310 128.241 4.069 17967 149 1 1 . 1 1 33 33 VAL HA H 31 3.100 3.100 2.926 0.174 17967 150 1 1 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.838 -1.608 17967 151 1 1 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.869 -0.239 17967 152 1 1 . 1 1 33 33 VAL H H 31 8.860 8.860 7.869 0.991 17967 153 1 1 . 1 1 34 34 TYR N N 32 124.310 124.310 116.305 8.005 17967 154 1 1 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.500 -0.060 17967 155 1 1 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.852 1.178 17967 156 1 1 . 1 1 34 34 TYR CB C 32 40.130 40.130 37.917 2.213 17967 157 1 1 . 1 1 34 34 TYR H H 32 8.590 8.590 7.107 1.483 17967 158 1 1 . 1 1 35 35 CYS N N 33 119.810 119.810 115.511 4.299 17967 159 1 1 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.524 0.316 17967 160 1 1 . 1 1 35 35 CYS CA C 33 59.430 59.430 59.171 0.259 17967 161 1 1 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.835 4.395 17967 162 1 1 . 1 1 35 35 CYS H H 33 8.070 8.070 7.634 0.436 17967 163 1 1 . 1 1 36 36 LYS N N 34 119.910 119.910 114.660 5.250 17967 164 1 1 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.963 0.227 17967 165 1 1 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.205 0.625 17967 166 1 1 . 1 1 36 36 LYS CB C 34 29.330 29.330 29.630 -0.300 17967 167 1 1 . 1 1 36 36 LYS H H 34 7.860 7.860 8.240 -0.380 17967 168 1 1 . 1 1 37 37 GLN N N 35 120.710 120.710 115.229 5.481 17967 169 1 1 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.414 -0.054 17967 170 1 1 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.215 1.215 17967 171 1 1 . 1 1 37 37 GLN CB C 35 29.630 29.630 29.399 0.231 17967 172 1 1 . 1 1 37 37 GLN H H 35 8.270 8.270 7.661 0.609 17967 173 1 1 . 1 1 38 38 GLN N N 36 123.710 123.710 124.529 -0.819 17967 174 1 1 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.139 0.161 17967 175 1 1 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.420 0.310 17967 176 1 1 . 1 1 38 38 GLN CB C 36 29.330 29.330 29.050 0.279 17967 177 1 1 . 1 1 38 38 GLN H H 36 8.640 8.640 8.638 0.002 17967 178 1 1 . 1 1 39 39 LEU N N 37 131.310 131.310 127.796 3.514 17967 179 1 1 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.202 -0.092 17967 180 1 1 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.230 2.100 17967 181 1 1 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.489 -0.559 17967 182 1 1 . 1 1 39 39 LEU H H 37 8.870 8.870 7.863 1.007 17967 183 1 1 . 1 1 40 40 LEU N N 38 126.310 126.310 124.730 1.580 17967 184 1 1 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.263 0.047 17967 185 1 1 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.862 -0.632 17967 186 1 1 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.115 0.015 17967 187 1 1 . 1 1 40 40 LEU H H 38 9.850 9.850 8.394 1.456 17967 188 1 1 . 1 1 41 41 ARG N N 39 127.110 127.110 125.743 1.367 17967 189 1 1 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.684 -0.164 17967 190 1 1 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.629 -1.799 17967 191 1 1 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.673 -2.743 17967 192 1 1 . 1 1 41 41 ARG H H 39 8.970 8.970 8.876 0.094 17967 193 1 1 . 1 1 42 42 ARG N N 40 115.810 115.810 117.596 -1.786 17967 194 1 1 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.305 -0.225 17967 195 1 1 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.105 0.025 17967 196 1 1 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.210 0.120 17967 197 1 1 . 1 1 42 42 ARG H H 40 8.610 8.610 8.606 0.004 17967 198 1 1 . 1 1 43 43 GLU N N 41 119.910 119.910 119.209 0.701 17967 199 1 1 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.208 0.042 17967 200 1 1 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.698 0.332 17967 201 1 1 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.088 1.242 17967 202 1 1 . 1 1 43 43 GLU H H 41 6.950 6.950 7.853 -0.903 17967 203 1 1 . 1 1 44 44 VAL N N 42 125.010 125.010 119.991 5.019 17967 204 1 1 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.514 -0.274 17967 205 1 1 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.200 1.431 17967 206 1 1 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.423 -0.093 17967 207 1 1 . 1 1 44 44 VAL H H 42 7.820 7.820 8.050 -0.230 17967 208 1 1 . 1 1 45 45 TYR N N 43 118.410 118.410 119.025 -0.615 17967 209 1 1 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.170 0.260 17967 210 1 1 . 1 1 45 45 TYR CA C 43 58.830 58.830 60.235 -1.405 17967 211 1 1 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.165 -0.435 17967 212 1 1 . 1 1 45 45 TYR H H 43 7.820 7.820 8.008 -0.188 17967 213 1 1 . 1 1 46 46 ASP N N 44 122.410 122.410 119.758 2.652 17967 214 1 1 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.361 0.239 17967 215 1 1 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.928 -0.098 17967 216 1 1 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.331 0.699 17967 217 1 1 . 1 1 46 46 ASP H H 44 8.540 8.540 8.097 0.443 17967 218 1 1 . 1 1 47 47 PHE N N 45 126.210 126.210 119.160 7.050 17967 219 1 1 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.204 -0.294 17967 220 1 1 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.770 0.860 17967 221 1 1 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.263 0.067 17967 222 1 1 . 1 1 47 47 PHE H H 45 8.320 8.320 7.538 0.782 17967 223 1 1 . 1 1 48 48 ALA N N 46 119.110 119.110 118.862 0.248 17967 224 1 1 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.388 0.132 17967 225 1 1 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.474 0.756 17967 226 1 1 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.789 -0.059 17967 227 1 1 . 1 1 48 48 ALA H H 46 7.740 7.740 7.675 0.065 17967 228 1 1 . 1 1 49 49 ARG N N 47 124.010 124.010 117.455 6.555 17967 229 1 1 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.313 -0.263 17967 230 1 1 . 1 1 49 49 ARG CA C 47 59.630 59.630 56.986 2.644 17967 231 1 1 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.262 0.168 17967 232 1 1 . 1 1 49 49 ARG H H 47 8.500 8.500 8.295 0.205 17967 233 1 1 . 1 1 50 50 ARG N N 48 119.110 119.110 117.241 1.869 17967 234 1 1 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.537 -0.527 17967 235 1 1 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.493 2.637 17967 236 1 1 . 1 1 50 50 ARG CB C 48 31.130 31.130 32.704 -1.574 17967 237 1 1 . 1 1 50 50 ARG H H 48 7.940 7.940 7.609 0.331 17967 238 1 1 . 1 1 51 51 ASP N N 49 120.910 120.910 119.125 1.785 17967 239 1 1 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.725 -0.305 17967 240 1 1 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.160 1.369 17967 241 1 1 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.231 -0.301 17967 242 1 1 . 1 1 51 51 ASP H H 49 7.950 7.950 8.411 -0.461 17967 243 1 1 . 1 1 52 52 LEU N N 50 118.410 118.410 119.962 -1.552 17967 244 1 1 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.233 -0.083 17967 245 1 1 . 1 1 52 52 LEU CA C 50 54.230 54.230 55.681 -1.451 17967 246 1 1 . 1 1 52 52 LEU CB C 50 41.130 41.130 42.262 -1.132 17967 247 1 1 . 1 1 52 52 LEU H H 50 6.640 6.640 7.265 -0.625 17967 248 1 1 . 1 1 53 53 CYS N N 51 117.410 117.410 115.656 1.754 17967 249 1 1 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.284 -0.354 17967 250 1 1 . 1 1 53 53 CYS CA C 51 58.930 58.930 55.989 2.941 17967 251 1 1 . 1 1 53 53 CYS CB C 51 28.630 28.630 31.154 -2.524 17967 252 1 1 . 1 1 53 53 CYS H H 51 8.030 8.030 8.041 -0.011 17967 253 1 1 . 1 1 54 54 ILE N N 52 125.110 125.110 122.748 2.362 17967 254 1 1 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.430 -0.420 17967 255 1 1 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.740 -2.110 17967 256 1 1 . 1 1 54 54 ILE CB C 52 37.330 37.330 39.189 -1.859 17967 257 1 1 . 1 1 54 54 ILE H H 52 8.500 8.500 8.993 -0.493 17967 258 1 1 . 1 1 55 55 VAL N N 53 127.010 127.010 121.502 5.508 17967 259 1 1 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.660 -0.290 17967 260 1 1 . 1 1 55 55 VAL CA C 53 60.630 60.630 59.796 0.834 17967 261 1 1 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.446 1.784 17967 262 1 1 . 1 1 55 55 VAL H H 53 8.130 8.130 8.245 -0.115 17967 263 1 1 . 1 1 56 56 TYR N N 54 124.910 124.910 126.282 -1.372 17967 264 1 1 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.282 0.118 17967 265 1 1 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.425 -0.095 17967 266 1 1 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.331 1.699 17967 267 1 1 . 1 1 56 56 TYR H H 54 8.700 8.700 8.573 0.127 17967 268 1 1 . 1 1 57 57 ARG N N 55 123.810 123.810 125.419 -1.609 17967 269 1 1 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.354 0.286 17967 270 1 1 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.679 -0.249 17967 271 1 1 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.961 2.869 17967 272 1 1 . 1 1 57 57 ARG H H 55 8.870 8.870 8.436 0.434 17967 273 1 1 . 1 1 58 58 ASP N N 56 129.110 129.110 125.861 3.249 17967 274 1 1 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.256 0.054 17967 275 1 1 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.781 -0.951 17967 276 1 1 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.398 -0.267 17967 277 1 1 . 1 1 58 58 ASP H H 56 9.620 9.620 9.005 0.615 17967 278 1 1 . 1 1 59 59 GLY N N 57 104.510 104.510 106.528 -2.018 17967 279 1 1 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.071 0.559 17967 280 1 1 . 1 1 59 59 GLY H H 57 8.720 8.720 8.459 0.261 17967 281 1 1 . 1 1 60 60 ASN N N 58 122.210 122.210 118.562 3.648 17967 282 1 1 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.224 0.176 17967 283 1 1 . 1 1 60 60 ASN CA C 58 50.330 50.330 51.023 -0.693 17967 284 1 1 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.194 -0.763 17967 285 1 1 . 1 1 60 60 ASN H H 58 8.120 8.120 7.865 0.255 17967 286 1 1 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.697 0.093 17967 287 1 1 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.372 -0.342 17967 288 1 1 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.236 2.294 17967 289 1 1 . 1 1 62 62 TYR N N 60 119.810 119.810 122.693 -2.883 17967 290 1 1 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.525 -0.165 17967 291 1 1 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.363 1.867 17967 292 1 1 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.361 1.069 17967 293 1 1 . 1 1 62 62 TYR H H 60 8.590 8.590 7.676 0.914 17967 294 1 1 . 1 1 63 63 ALA N N 61 123.810 123.810 122.235 1.575 17967 295 1 1 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.156 0.264 17967 296 1 1 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.596 -0.266 17967 297 1 1 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.384 -0.055 17967 298 1 1 . 1 1 63 63 ALA H H 61 8.010 8.010 8.777 -0.767 17967 299 1 1 . 1 1 64 64 VAL N N 62 120.510 120.510 117.378 3.132 17967 300 1 1 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.309 1.191 17967 301 1 1 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.139 0.090 17967 302 1 1 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.043 3.287 17967 303 1 1 . 1 1 64 64 VAL H H 62 6.380 6.380 8.473 -2.093 17967 304 1 1 . 1 1 65 65 CYS N N 63 130.310 130.310 125.413 4.897 17967 305 1 1 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.404 0.156 17967 306 1 1 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.612 -0.182 17967 307 1 1 . 1 1 65 65 CYS CB C 63 31.130 31.130 28.781 2.349 17967 308 1 1 . 1 1 65 65 CYS H H 63 9.430 9.430 8.317 1.113 17967 309 1 1 . 1 1 66 66 ASP N N 64 121.110 121.110 121.304 -0.194 17967 310 1 1 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.344 0.066 17967 311 1 1 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.354 -0.124 17967 312 1 1 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.883 1.446 17967 313 1 1 . 1 1 66 66 ASP H H 64 9.120 9.120 8.735 0.385 17967 314 1 1 . 1 1 67 67 LYS N N 65 122.110 122.110 118.772 3.338 17967 315 1 1 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.952 0.058 17967 316 1 1 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.609 1.521 17967 317 1 1 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.454 0.376 17967 318 1 1 . 1 1 67 67 LYS H H 65 8.330 8.330 7.665 0.665 17967 319 1 1 . 1 1 68 68 CYS N N 66 125.610 125.610 119.010 6.600 17967 320 1 1 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.437 -0.327 17967 321 1 1 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.114 1.416 17967 322 1 1 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.448 4.282 17967 323 1 1 . 1 1 68 68 CYS H H 66 8.700 8.700 7.572 1.128 17967 324 1 1 . 1 1 69 69 LEU N N 67 125.310 125.310 121.318 3.992 17967 325 1 1 . 1 1 69 69 LEU HA H 67 4.000 4.000 3.966 0.034 17967 326 1 1 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.846 -0.316 17967 327 1 1 . 1 1 69 69 LEU CB C 67 42.130 42.130 42.154 -0.024 17967 328 1 1 . 1 1 69 69 LEU H H 67 8.470 8.470 8.891 -0.421 17967 329 1 1 . 1 1 70 70 LYS N N 68 119.010 119.010 116.100 2.910 17967 330 1 1 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.076 -0.096 17967 331 1 1 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.441 0.389 17967 332 1 1 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.659 0.471 17967 333 1 1 . 1 1 70 70 LYS H H 68 7.810 7.810 7.363 0.447 17967 334 1 1 . 1 1 71 71 PHE N N 69 121.710 121.710 116.982 4.728 17967 335 1 1 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.292 -0.012 17967 336 1 1 . 1 1 71 71 PHE CA C 69 59.930 59.930 58.679 1.251 17967 337 1 1 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.974 0.456 17967 338 1 1 . 1 1 71 71 PHE H H 69 7.810 7.810 7.200 0.610 17967 339 1 1 . 1 1 72 72 TYR N N 70 120.110 120.110 116.144 3.966 17967 340 1 1 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.723 -0.403 17967 341 1 1 . 1 1 72 72 TYR CA C 70 60.330 60.330 58.038 2.292 17967 342 1 1 . 1 1 72 72 TYR CB C 70 40.430 40.430 37.878 2.552 17967 343 1 1 . 1 1 72 72 TYR H H 70 8.280 8.280 8.801 -0.521 17967 344 1 1 . 1 1 73 73 SER N N 71 117.210 117.210 116.731 0.479 17967 345 1 1 . 1 1 73 73 SER HA H 71 4.320 4.320 4.163 0.157 17967 346 1 1 . 1 1 73 73 SER CA C 71 60.130 60.130 60.693 -0.562 17967 347 1 1 . 1 1 73 73 SER CB C 71 63.630 63.630 62.788 0.842 17967 348 1 1 . 1 1 73 73 SER H H 71 7.870 7.870 8.059 -0.189 17967 349 1 1 . 1 1 74 74 LYS N N 72 122.810 122.810 122.772 0.038 17967 350 1 1 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.114 0.156 17967 351 1 1 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.606 -0.676 17967 352 1 1 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.473 0.157 17967 353 1 1 . 1 1 74 74 LYS H H 72 7.800 7.800 8.030 -0.230 17967 354 1 1 . 1 1 75 75 ILE N N 73 121.610 121.610 120.777 0.833 17967 355 1 1 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.108 0.002 17967 356 1 1 . 1 1 75 75 ILE CA C 73 61.830 61.830 61.644 0.186 17967 357 1 1 . 1 1 75 75 ILE CB C 73 38.630 38.630 37.532 1.098 17967 358 1 1 . 1 1 75 75 ILE H H 73 7.750 7.750 7.594 0.156 17967 359 1 1 . 1 1 76 76 SER N N 74 120.410 120.410 124.788 -4.378 17967 360 1 1 . 1 1 76 76 SER HA H 74 4.300 4.300 4.695 -0.395 17967 361 1 1 . 1 1 76 76 SER CA C 74 59.330 59.330 56.980 2.350 17967 362 1 1 . 1 1 76 76 SER CB C 74 63.830 63.830 62.900 0.930 17967 363 1 1 . 1 1 76 76 SER H H 74 8.130 8.130 8.578 -0.448 17967 364 1 1 . 1 1 77 77 GLU N N 75 123.810 123.810 122.750 1.060 17967 365 1 1 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.063 0.127 17967 366 1 1 . 1 1 77 77 GLU CA C 75 57.330 57.330 57.266 0.064 17967 367 1 1 . 1 1 77 77 GLU CB C 75 30.130 30.130 29.875 0.255 17967 368 1 1 . 1 1 77 77 GLU H H 75 8.270 8.270 8.127 0.143 17967 369 1 1 . 1 1 78 78 TYR N N 76 122.410 122.410 125.366 -2.956 17967 370 1 1 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.602 -0.142 17967 371 1 1 . 1 1 78 78 TYR CA C 76 58.130 58.130 57.794 0.336 17967 372 1 1 . 1 1 78 78 TYR CB C 76 38.630 38.630 40.779 -2.149 17967 373 1 1 . 1 1 78 78 TYR H H 76 7.980 7.980 8.707 -0.727 17967 374 1 1 . 1 1 79 79 ARG N N 77 124.710 124.710 120.610 4.100 17967 375 1 1 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.765 -0.565 17967 376 1 1 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.266 0.764 17967 377 1 1 . 1 1 79 79 ARG CB C 77 31.030 31.030 29.677 1.353 17967 378 1 1 . 1 1 79 79 ARG H H 77 7.880 7.880 8.217 -0.337 17967 379 1 1 . 1 1 80 80 HIS N N 78 122.110 122.110 117.467 4.643 17967 380 1 1 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.816 -0.306 17967 381 1 1 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.432 0.898 17967 382 1 1 . 1 1 80 80 HIS CB C 78 30.830 30.830 28.651 2.179 17967 383 1 1 . 1 1 80 80 HIS H H 78 8.120 8.120 8.582 -0.462 17967 384 1 1 . 1 1 81 81 TYR N N 79 123.610 123.610 122.932 0.678 17967 385 1 1 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.617 -0.027 17967 386 1 1 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.940 -0.110 17967 387 1 1 . 1 1 81 81 TYR CB C 79 39.130 39.130 40.401 -1.271 17967 388 1 1 . 1 1 81 81 TYR H H 79 7.970 7.970 8.296 -0.326 17967 389 1 2 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.068 0.222 17967 390 1 2 . 1 1 2 2 ALA CA C 0 52.530 52.530 53.490 -0.960 17967 391 1 2 . 1 1 2 2 ALA CB C 0 19.730 19.730 19.064 0.666 17967 392 1 2 . 1 1 3 3 MET N N 1 122.210 122.210 116.449 5.761 17967 393 1 2 . 1 1 3 3 MET HA H 1 4.300 4.300 4.473 -0.173 17967 394 1 2 . 1 1 3 3 MET CA C 1 56.030 56.030 55.195 0.835 17967 395 1 2 . 1 1 3 3 MET CB C 1 33.430 33.430 32.985 0.445 17967 396 1 2 . 1 1 3 3 MET H H 1 8.370 8.370 7.384 0.986 17967 397 1 2 . 1 1 4 4 PHE N N 2 122.310 122.310 123.348 -1.038 17967 398 1 2 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.818 -0.188 17967 399 1 2 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.110 0.220 17967 400 1 2 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.758 -1.328 17967 401 1 2 . 1 1 4 4 PHE H H 2 8.370 8.370 8.423 -0.053 17967 402 1 2 . 1 1 5 5 GLN N N 3 123.510 123.510 122.100 1.410 17967 403 1 2 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.427 -0.247 17967 404 1 2 . 1 1 5 5 GLN CA C 3 56.130 56.130 55.358 0.772 17967 405 1 2 . 1 1 5 5 GLN CB C 3 29.930 29.930 31.280 -1.350 17967 406 1 2 . 1 1 5 5 GLN H H 3 8.260 8.260 9.115 -0.855 17967 407 1 2 . 1 1 6 6 ASP N N 4 125.010 125.010 119.443 5.567 17967 408 1 2 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.731 0.059 17967 409 1 2 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.782 0.148 17967 410 1 2 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.561 0.169 17967 411 1 2 . 1 1 6 6 ASP H H 4 8.420 8.420 8.596 -0.176 17967 412 1 2 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.436 -0.316 17967 413 1 2 . 1 1 7 7 PRO CA C 5 64.030 64.030 64.068 -0.038 17967 414 1 2 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.323 0.007 17967 415 1 2 . 1 1 8 8 GLN N N 6 119.710 119.710 118.128 1.582 17967 416 1 2 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.280 -0.120 17967 417 1 2 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.358 1.272 17967 418 1 2 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.462 1.867 17967 419 1 2 . 1 1 8 8 GLN H H 6 8.430 8.430 8.073 0.357 17967 420 1 2 . 1 1 9 9 GLU N N 7 122.110 122.110 122.698 -0.588 17967 421 1 2 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.190 0.010 17967 422 1 2 . 1 1 9 9 GLU CA C 7 56.030 56.030 57.263 -1.233 17967 423 1 2 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.356 0.174 17967 424 1 2 . 1 1 9 9 GLU H H 7 7.940 7.940 7.833 0.107 17967 425 1 2 . 1 1 10 10 ARG N N 8 123.410 123.410 117.913 5.497 17967 426 1 2 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.333 0.067 17967 427 1 2 . 1 1 10 10 ARG CA C 8 54.130 54.130 52.263 1.867 17967 428 1 2 . 1 1 10 10 ARG CB C 8 29.330 29.330 29.138 0.192 17967 429 1 2 . 1 1 10 10 ARG H H 8 7.660 7.660 7.463 0.197 17967 430 1 2 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.536 -0.186 17967 431 1 2 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.583 0.947 17967 432 1 2 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.803 -0.173 17967 433 1 2 . 1 1 12 12 ARG N N 10 123.810 123.810 116.153 7.657 17967 434 1 2 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.640 0.030 17967 435 1 2 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.962 0.868 17967 436 1 2 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.535 0.995 17967 437 1 2 . 1 1 12 12 ARG H H 10 8.710 8.710 8.517 0.193 17967 438 1 2 . 1 1 13 13 LYS N N 11 118.410 118.410 119.333 -0.923 17967 439 1 2 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.741 0.309 17967 440 1 2 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.559 -1.229 17967 441 1 2 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.657 0.773 17967 442 1 2 . 1 1 13 13 LYS H H 11 7.800 7.800 7.694 0.106 17967 443 1 2 . 1 1 14 14 LEU N N 12 125.010 125.010 126.875 -1.865 17967 444 1 2 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.221 -0.051 17967 445 1 2 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.593 0.137 17967 446 1 2 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.736 0.794 17967 447 1 2 . 1 1 14 14 LEU H H 12 10.210 10.210 9.189 1.021 17967 448 1 2 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.247 -0.027 17967 449 1 2 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.820 1.410 17967 450 1 2 . 1 1 15 15 PRO CB C 13 30.730 30.730 30.913 -0.183 17967 451 1 2 . 1 1 16 16 GLN N N 14 117.810 117.810 117.473 0.337 17967 452 1 2 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.108 0.082 17967 453 1 2 . 1 1 16 16 GLN CA C 14 59.030 59.030 59.030 0.000 17967 454 1 2 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.217 0.413 17967 455 1 2 . 1 1 16 16 GLN H H 14 7.110 7.110 8.386 -1.276 17967 456 1 2 . 1 1 17 17 LEU N N 15 124.710 124.710 122.396 2.314 17967 457 1 2 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.017 -0.007 17967 458 1 2 . 1 1 17 17 LEU CA C 15 58.330 58.330 58.023 0.307 17967 459 1 2 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.654 0.376 17967 460 1 2 . 1 1 17 17 LEU H H 15 8.010 8.010 8.260 -0.250 17967 461 1 2 . 1 1 18 18 CYS N N 16 117.210 117.210 117.021 0.189 17967 462 1 2 . 1 1 18 18 CYS HA H 16 3.750 3.750 4.037 -0.287 17967 463 1 2 . 1 1 18 18 CYS CA C 16 64.730 64.730 64.162 0.568 17967 464 1 2 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.113 0.117 17967 465 1 2 . 1 1 18 18 CYS H H 16 8.380 8.380 8.714 -0.334 17967 466 1 2 . 1 1 19 19 THR N N 17 117.810 117.810 116.353 1.457 17967 467 1 2 . 1 1 19 19 THR HA H 17 4.000 4.000 4.018 -0.018 17967 468 1 2 . 1 1 19 19 THR CA C 17 66.830 66.830 67.142 -0.312 17967 469 1 2 . 1 1 19 19 THR CB C 17 68.830 68.830 68.502 0.328 17967 470 1 2 . 1 1 19 19 THR H H 17 7.720 7.720 7.820 -0.100 17967 471 1 2 . 1 1 20 20 GLU N N 18 125.410 125.410 120.574 4.836 17967 472 1 2 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.170 -0.100 17967 473 1 2 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.995 0.735 17967 474 1 2 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.802 -0.072 17967 475 1 2 . 1 1 20 20 GLU H H 18 8.010 8.010 7.670 0.340 17967 476 1 2 . 1 1 21 21 LEU N N 19 118.810 118.810 115.448 3.362 17967 477 1 2 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.323 -0.023 17967 478 1 2 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.353 -0.523 17967 479 1 2 . 1 1 21 21 LEU CB C 19 42.330 42.330 42.009 0.321 17967 480 1 2 . 1 1 21 21 LEU H H 19 8.010 8.010 8.299 -0.289 17967 481 1 2 . 1 1 22 22 GLN N N 20 118.310 118.310 115.062 3.248 17967 482 1 2 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.029 -0.079 17967 483 1 2 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.109 -0.379 17967 484 1 2 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.003 0.127 17967 485 1 2 . 1 1 22 22 GLN H H 20 7.860 7.860 7.858 0.002 17967 486 1 2 . 1 1 23 23 THR N N 21 115.910 115.910 111.301 4.609 17967 487 1 2 . 1 1 23 23 THR HA H 21 4.950 4.950 4.617 0.333 17967 488 1 2 . 1 1 23 23 THR CA C 21 58.530 58.530 59.808 -1.278 17967 489 1 2 . 1 1 23 23 THR CB C 21 70.330 70.330 70.359 -0.029 17967 490 1 2 . 1 1 23 23 THR H H 21 8.250 8.250 8.243 0.007 17967 491 1 2 . 1 1 24 24 THR N N 22 112.810 112.810 114.368 -1.558 17967 492 1 2 . 1 1 24 24 THR HA H 22 4.880 4.880 4.624 0.256 17967 493 1 2 . 1 1 24 24 THR CA C 22 59.730 59.730 60.016 -0.286 17967 494 1 2 . 1 1 24 24 THR CB C 22 74.130 74.130 71.520 2.610 17967 495 1 2 . 1 1 24 24 THR H H 22 8.660 8.660 7.882 0.778 17967 496 1 2 . 1 1 25 25 ILE N N 23 123.710 123.710 120.105 3.605 17967 497 1 2 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.854 -0.074 17967 498 1 2 . 1 1 25 25 ILE CA C 23 63.430 63.430 63.711 -0.281 17967 499 1 2 . 1 1 25 25 ILE CB C 23 38.630 38.630 38.078 0.552 17967 500 1 2 . 1 1 25 25 ILE H H 23 9.060 9.060 8.302 0.758 17967 501 1 2 . 1 1 26 26 HIS N N 24 119.510 119.510 113.434 6.076 17967 502 1 2 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.944 -0.504 17967 503 1 2 . 1 1 26 26 HIS CA C 24 57.030 57.030 54.871 2.159 17967 504 1 2 . 1 1 26 26 HIS CB C 24 30.830 30.830 28.818 2.012 17967 505 1 2 . 1 1 26 26 HIS H H 24 7.040 7.040 7.595 -0.555 17967 506 1 2 . 1 1 27 27 ASP N N 25 116.810 116.810 117.510 -0.700 17967 507 1 2 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.701 0.059 17967 508 1 2 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.300 0.130 17967 509 1 2 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.572 0.758 17967 510 1 2 . 1 1 27 27 ASP H H 25 7.250 7.250 7.563 -0.313 17967 511 1 2 . 1 1 28 28 ILE N N 26 123.210 123.210 121.653 1.557 17967 512 1 2 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.919 0.011 17967 513 1 2 . 1 1 28 28 ILE CA C 26 63.030 63.030 63.040 -0.010 17967 514 1 2 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.762 -0.832 17967 515 1 2 . 1 1 28 28 ILE H H 26 7.750 7.750 7.927 -0.177 17967 516 1 2 . 1 1 29 29 ILE N N 27 131.110 131.110 128.834 2.276 17967 517 1 2 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.139 0.241 17967 518 1 2 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.946 -1.116 17967 519 1 2 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.111 1.519 17967 520 1 2 . 1 1 29 29 ILE H H 27 8.270 8.270 8.416 -0.146 17967 521 1 2 . 1 1 30 30 LEU N N 28 129.410 129.410 129.699 -0.289 17967 522 1 2 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.822 -0.162 17967 523 1 2 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.450 -0.920 17967 524 1 2 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.245 3.085 17967 525 1 2 . 1 1 30 30 LEU H H 28 8.500 8.500 8.103 0.397 17967 526 1 2 . 1 1 31 31 GLU N N 29 121.910 121.910 121.745 0.165 17967 527 1 2 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.727 -0.047 17967 528 1 2 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.393 0.537 17967 529 1 2 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.283 0.747 17967 530 1 2 . 1 1 31 31 GLU H H 29 8.860 8.860 8.313 0.547 17967 531 1 2 . 1 1 32 32 CYS N N 30 125.710 125.710 120.347 5.363 17967 532 1 2 . 1 1 32 32 CYS HA H 30 4.020 4.020 5.019 -0.999 17967 533 1 2 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.619 -1.389 17967 534 1 2 . 1 1 32 32 CYS CB C 30 31.730 31.730 27.076 4.654 17967 535 1 2 . 1 1 32 32 CYS H H 30 8.270 8.270 8.289 -0.019 17967 536 1 2 . 1 1 33 33 VAL N N 31 132.310 132.310 129.161 3.149 17967 537 1 2 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.077 0.023 17967 538 1 2 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.057 -0.827 17967 539 1 2 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.879 -0.249 17967 540 1 2 . 1 1 33 33 VAL H H 31 8.860 8.860 8.243 0.617 17967 541 1 2 . 1 1 34 34 TYR N N 32 124.310 124.310 114.947 9.363 17967 542 1 2 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.610 -0.170 17967 543 1 2 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.327 1.704 17967 544 1 2 . 1 1 34 34 TYR CB C 32 40.130 40.130 39.066 1.065 17967 545 1 2 . 1 1 34 34 TYR H H 32 8.590 8.590 7.270 1.320 17967 546 1 2 . 1 1 35 35 CYS N N 33 119.810 119.810 116.513 3.297 17967 547 1 2 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.656 0.184 17967 548 1 2 . 1 1 35 35 CYS CA C 33 59.430 59.430 58.226 1.204 17967 549 1 2 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.093 4.136 17967 550 1 2 . 1 1 35 35 CYS H H 33 8.070 8.070 7.728 0.342 17967 551 1 2 . 1 1 36 36 LYS N N 34 119.910 119.910 116.148 3.762 17967 552 1 2 . 1 1 36 36 LYS HA H 34 4.190 4.190 4.055 0.135 17967 553 1 2 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.169 0.661 17967 554 1 2 . 1 1 36 36 LYS CB C 34 29.330 29.330 30.881 -1.551 17967 555 1 2 . 1 1 36 36 LYS H H 34 7.860 7.860 7.883 -0.023 17967 556 1 2 . 1 1 37 37 GLN N N 35 120.710 120.710 116.693 4.017 17967 557 1 2 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.309 0.051 17967 558 1 2 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.676 0.754 17967 559 1 2 . 1 1 37 37 GLN CB C 35 29.630 29.630 28.830 0.800 17967 560 1 2 . 1 1 37 37 GLN H H 35 8.270 8.270 7.808 0.462 17967 561 1 2 . 1 1 38 38 GLN N N 36 123.710 123.710 124.394 -0.684 17967 562 1 2 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.025 0.275 17967 563 1 2 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.561 0.169 17967 564 1 2 . 1 1 38 38 GLN CB C 36 29.330 29.330 29.013 0.317 17967 565 1 2 . 1 1 38 38 GLN H H 36 8.640 8.640 8.595 0.045 17967 566 1 2 . 1 1 39 39 LEU N N 37 131.310 131.310 127.885 3.425 17967 567 1 2 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.227 -0.117 17967 568 1 2 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.231 2.099 17967 569 1 2 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.585 -0.655 17967 570 1 2 . 1 1 39 39 LEU H H 37 8.870 8.870 7.917 0.953 17967 571 1 2 . 1 1 40 40 LEU N N 38 126.310 126.310 123.440 2.870 17967 572 1 2 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.329 -0.019 17967 573 1 2 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.432 -0.202 17967 574 1 2 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.435 -0.305 17967 575 1 2 . 1 1 40 40 LEU H H 38 9.850 9.850 8.293 1.557 17967 576 1 2 . 1 1 41 41 ARG N N 39 127.110 127.110 125.983 1.127 17967 577 1 2 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.732 -0.212 17967 578 1 2 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.020 -1.190 17967 579 1 2 . 1 1 41 41 ARG CB C 39 26.930 26.930 28.785 -1.855 17967 580 1 2 . 1 1 41 41 ARG H H 39 8.970 8.970 8.813 0.157 17967 581 1 2 . 1 1 42 42 ARG N N 40 115.810 115.810 118.808 -2.998 17967 582 1 2 . 1 1 42 42 ARG HA H 40 4.080 4.080 3.923 0.157 17967 583 1 2 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.751 -0.621 17967 584 1 2 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.554 -0.224 17967 585 1 2 . 1 1 42 42 ARG H H 40 8.610 8.610 8.363 0.247 17967 586 1 2 . 1 1 43 43 GLU N N 41 119.910 119.910 118.675 1.235 17967 587 1 2 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.556 -0.306 17967 588 1 2 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.162 0.868 17967 589 1 2 . 1 1 43 43 GLU CB C 41 30.330 30.330 28.984 1.346 17967 590 1 2 . 1 1 43 43 GLU H H 41 6.950 6.950 7.939 -0.989 17967 591 1 2 . 1 1 44 44 VAL N N 42 125.010 125.010 119.887 5.123 17967 592 1 2 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.738 -0.498 17967 593 1 2 . 1 1 44 44 VAL CA C 42 67.630 67.630 65.383 2.247 17967 594 1 2 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.931 0.399 17967 595 1 2 . 1 1 44 44 VAL H H 42 7.820 7.820 7.922 -0.102 17967 596 1 2 . 1 1 45 45 TYR N N 43 118.410 118.410 119.700 -1.290 17967 597 1 2 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.228 0.202 17967 598 1 2 . 1 1 45 45 TYR CA C 43 58.830 58.830 59.063 -0.233 17967 599 1 2 . 1 1 45 45 TYR CB C 43 36.730 36.730 36.847 -0.117 17967 600 1 2 . 1 1 45 45 TYR H H 43 7.820 7.820 8.396 -0.576 17967 601 1 2 . 1 1 46 46 ASP N N 44 122.410 122.410 120.239 2.171 17967 602 1 2 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.328 0.272 17967 603 1 2 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.620 0.210 17967 604 1 2 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.147 0.883 17967 605 1 2 . 1 1 46 46 ASP H H 44 8.540 8.540 8.144 0.396 17967 606 1 2 . 1 1 47 47 PHE N N 45 126.210 126.210 119.414 6.796 17967 607 1 2 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.128 -0.218 17967 608 1 2 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.964 0.666 17967 609 1 2 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.158 0.172 17967 610 1 2 . 1 1 47 47 PHE H H 45 8.320 8.320 7.748 0.572 17967 611 1 2 . 1 1 48 48 ALA N N 46 119.110 119.110 119.129 -0.019 17967 612 1 2 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.339 0.181 17967 613 1 2 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.751 0.479 17967 614 1 2 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.604 0.126 17967 615 1 2 . 1 1 48 48 ALA H H 46 7.740 7.740 7.815 -0.075 17967 616 1 2 . 1 1 49 49 ARG N N 47 124.010 124.010 118.196 5.814 17967 617 1 2 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.304 -0.254 17967 618 1 2 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.212 2.417 17967 619 1 2 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.550 -0.120 17967 620 1 2 . 1 1 49 49 ARG H H 47 8.500 8.500 8.343 0.157 17967 621 1 2 . 1 1 50 50 ARG N N 48 119.110 119.110 118.263 0.847 17967 622 1 2 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.527 -0.517 17967 623 1 2 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.786 2.344 17967 624 1 2 . 1 1 50 50 ARG CB C 48 31.130 31.130 31.847 -0.717 17967 625 1 2 . 1 1 50 50 ARG H H 48 7.940 7.940 7.847 0.093 17967 626 1 2 . 1 1 51 51 ASP N N 49 120.910 120.910 119.836 1.074 17967 627 1 2 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.782 -0.362 17967 628 1 2 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.738 0.792 17967 629 1 2 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.417 -0.487 17967 630 1 2 . 1 1 51 51 ASP H H 49 7.950 7.950 8.418 -0.468 17967 631 1 2 . 1 1 52 52 LEU N N 50 118.410 118.410 122.873 -4.463 17967 632 1 2 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.515 -0.365 17967 633 1 2 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.370 0.860 17967 634 1 2 . 1 1 52 52 LEU CB C 50 41.130 41.130 43.992 -2.861 17967 635 1 2 . 1 1 52 52 LEU H H 50 6.640 6.640 7.555 -0.915 17967 636 1 2 . 1 1 53 53 CYS N N 51 117.410 117.410 116.953 0.457 17967 637 1 2 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.225 -0.295 17967 638 1 2 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.565 2.365 17967 639 1 2 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.771 -2.141 17967 640 1 2 . 1 1 53 53 CYS H H 51 8.030 8.030 8.061 -0.031 17967 641 1 2 . 1 1 54 54 ILE N N 52 125.110 125.110 123.799 1.311 17967 642 1 2 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.321 -0.311 17967 643 1 2 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.780 -2.150 17967 644 1 2 . 1 1 54 54 ILE CB C 52 37.330 37.330 39.155 -1.825 17967 645 1 2 . 1 1 54 54 ILE H H 52 8.500 8.500 8.985 -0.485 17967 646 1 2 . 1 1 55 55 VAL N N 53 127.010 127.010 122.217 4.793 17967 647 1 2 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.548 -0.178 17967 648 1 2 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.152 0.478 17967 649 1 2 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.124 2.106 17967 650 1 2 . 1 1 55 55 VAL H H 53 8.130 8.130 7.980 0.150 17967 651 1 2 . 1 1 56 56 TYR N N 54 124.910 124.910 126.507 -1.597 17967 652 1 2 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.231 0.169 17967 653 1 2 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.614 -0.284 17967 654 1 2 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.481 1.549 17967 655 1 2 . 1 1 56 56 TYR H H 54 8.700 8.700 8.573 0.127 17967 656 1 2 . 1 1 57 57 ARG N N 55 123.810 123.810 125.377 -1.567 17967 657 1 2 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.455 0.185 17967 658 1 2 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.489 -0.059 17967 659 1 2 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.739 2.091 17967 660 1 2 . 1 1 57 57 ARG H H 55 8.870 8.870 8.414 0.456 17967 661 1 2 . 1 1 58 58 ASP N N 56 129.110 129.110 125.367 3.743 17967 662 1 2 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.306 0.004 17967 663 1 2 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.600 -0.770 17967 664 1 2 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.155 -0.025 17967 665 1 2 . 1 1 58 58 ASP H H 56 9.620 9.620 9.175 0.445 17967 666 1 2 . 1 1 59 59 GLY N N 57 104.510 104.510 107.707 -3.197 17967 667 1 2 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.215 0.415 17967 668 1 2 . 1 1 59 59 GLY H H 57 8.720 8.720 8.395 0.325 17967 669 1 2 . 1 1 60 60 ASN N N 58 122.210 122.210 119.045 3.165 17967 670 1 2 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.207 0.193 17967 671 1 2 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.739 -0.409 17967 672 1 2 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.202 -0.772 17967 673 1 2 . 1 1 60 60 ASN H H 58 8.120 8.120 7.929 0.191 17967 674 1 2 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.615 0.175 17967 675 1 2 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.527 -0.497 17967 676 1 2 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.394 2.136 17967 677 1 2 . 1 1 62 62 TYR N N 60 119.810 119.810 122.213 -2.403 17967 678 1 2 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.538 -0.178 17967 679 1 2 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.459 1.771 17967 680 1 2 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.581 0.849 17967 681 1 2 . 1 1 62 62 TYR H H 60 8.590 8.590 7.636 0.954 17967 682 1 2 . 1 1 63 63 ALA N N 61 123.810 123.810 121.301 2.509 17967 683 1 2 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.255 0.165 17967 684 1 2 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.198 0.132 17967 685 1 2 . 1 1 63 63 ALA CB C 61 20.330 20.330 21.022 -0.692 17967 686 1 2 . 1 1 63 63 ALA H H 61 8.010 8.010 8.936 -0.926 17967 687 1 2 . 1 1 64 64 VAL N N 62 120.510 120.510 118.623 1.887 17967 688 1 2 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.257 1.243 17967 689 1 2 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.402 -0.172 17967 690 1 2 . 1 1 64 64 VAL CB C 62 36.330 36.330 31.901 4.428 17967 691 1 2 . 1 1 64 64 VAL H H 62 6.380 6.380 8.491 -2.111 17967 692 1 2 . 1 1 65 65 CYS N N 63 130.310 130.310 125.780 4.530 17967 693 1 2 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.385 0.175 17967 694 1 2 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.611 -0.181 17967 695 1 2 . 1 1 65 65 CYS CB C 63 31.130 31.130 28.712 2.417 17967 696 1 2 . 1 1 65 65 CYS H H 63 9.430 9.430 8.117 1.313 17967 697 1 2 . 1 1 66 66 ASP N N 64 121.110 121.110 120.828 0.282 17967 698 1 2 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.210 0.200 17967 699 1 2 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.274 -0.044 17967 700 1 2 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.943 1.387 17967 701 1 2 . 1 1 66 66 ASP H H 64 9.120 9.120 8.759 0.361 17967 702 1 2 . 1 1 67 67 LYS N N 65 122.110 122.110 119.265 2.845 17967 703 1 2 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.765 0.245 17967 704 1 2 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.909 1.221 17967 705 1 2 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.305 0.525 17967 706 1 2 . 1 1 67 67 LYS H H 65 8.330 8.330 7.793 0.537 17967 707 1 2 . 1 1 68 68 CYS N N 66 125.610 125.610 118.573 7.037 17967 708 1 2 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.365 -0.255 17967 709 1 2 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.195 1.335 17967 710 1 2 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.442 4.288 17967 711 1 2 . 1 1 68 68 CYS H H 66 8.700 8.700 7.543 1.157 17967 712 1 2 . 1 1 69 69 LEU N N 67 125.310 125.310 121.932 3.378 17967 713 1 2 . 1 1 69 69 LEU HA H 67 4.000 4.000 3.894 0.106 17967 714 1 2 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.727 -0.197 17967 715 1 2 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.320 0.810 17967 716 1 2 . 1 1 69 69 LEU H H 67 8.470 8.470 8.819 -0.349 17967 717 1 2 . 1 1 70 70 LYS N N 68 119.010 119.010 118.767 0.243 17967 718 1 2 . 1 1 70 70 LYS HA H 68 3.980 3.980 3.997 -0.017 17967 719 1 2 . 1 1 70 70 LYS CA C 68 58.830 58.830 59.088 -0.258 17967 720 1 2 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.723 0.407 17967 721 1 2 . 1 1 70 70 LYS H H 68 7.810 7.810 7.494 0.316 17967 722 1 2 . 1 1 71 71 PHE N N 69 121.710 121.710 118.353 3.357 17967 723 1 2 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.170 0.110 17967 724 1 2 . 1 1 71 71 PHE CA C 69 59.930 59.930 58.650 1.280 17967 725 1 2 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.352 1.078 17967 726 1 2 . 1 1 71 71 PHE H H 69 7.810 7.810 7.066 0.744 17967 727 1 2 . 1 1 72 72 TYR N N 70 120.110 120.110 117.042 3.068 17967 728 1 2 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.437 -0.117 17967 729 1 2 . 1 1 72 72 TYR CA C 70 60.330 60.330 59.531 0.799 17967 730 1 2 . 1 1 72 72 TYR CB C 70 40.430 40.430 37.300 3.130 17967 731 1 2 . 1 1 72 72 TYR H H 70 8.280 8.280 8.768 -0.488 17967 732 1 2 . 1 1 73 73 SER N N 71 117.210 117.210 114.906 2.304 17967 733 1 2 . 1 1 73 73 SER HA H 71 4.320 4.320 4.349 -0.029 17967 734 1 2 . 1 1 73 73 SER CA C 71 60.130 60.130 60.705 -0.575 17967 735 1 2 . 1 1 73 73 SER CB C 71 63.630 63.630 63.348 0.282 17967 736 1 2 . 1 1 73 73 SER H H 71 7.870 7.870 8.055 -0.185 17967 737 1 2 . 1 1 74 74 LYS N N 72 122.810 122.810 120.936 1.874 17967 738 1 2 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.272 -0.002 17967 739 1 2 . 1 1 74 74 LYS CA C 72 56.930 56.930 56.924 0.006 17967 740 1 2 . 1 1 74 74 LYS CB C 72 32.630 32.630 33.157 -0.527 17967 741 1 2 . 1 1 74 74 LYS H H 72 7.800 7.800 7.462 0.338 17967 742 1 2 . 1 1 75 75 ILE N N 73 121.610 121.610 120.274 1.336 17967 743 1 2 . 1 1 75 75 ILE HA H 73 4.110 4.110 3.927 0.183 17967 744 1 2 . 1 1 75 75 ILE CA C 73 61.830 61.830 62.169 -0.339 17967 745 1 2 . 1 1 75 75 ILE CB C 73 38.630 38.630 36.482 2.148 17967 746 1 2 . 1 1 75 75 ILE H H 73 7.750 7.750 7.568 0.182 17967 747 1 2 . 1 1 76 76 SER N N 74 120.410 120.410 119.942 0.468 17967 748 1 2 . 1 1 76 76 SER HA H 74 4.300 4.300 4.837 -0.537 17967 749 1 2 . 1 1 76 76 SER CA C 74 59.330 59.330 58.752 0.578 17967 750 1 2 . 1 1 76 76 SER CB C 74 63.830 63.830 65.810 -1.980 17967 751 1 2 . 1 1 76 76 SER H H 74 8.130 8.130 8.239 -0.109 17967 752 1 2 . 1 1 77 77 GLU N N 75 123.810 123.810 123.063 0.747 17967 753 1 2 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.608 -0.418 17967 754 1 2 . 1 1 77 77 GLU CA C 75 57.330 57.330 55.734 1.596 17967 755 1 2 . 1 1 77 77 GLU CB C 75 30.130 30.130 28.892 1.238 17967 756 1 2 . 1 1 77 77 GLU H H 75 8.270 8.270 8.635 -0.365 17967 757 1 2 . 1 1 78 78 TYR N N 76 122.410 122.410 123.302 -0.892 17967 758 1 2 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.676 -0.216 17967 759 1 2 . 1 1 78 78 TYR CA C 76 58.130 58.130 58.338 -0.208 17967 760 1 2 . 1 1 78 78 TYR CB C 76 38.630 38.630 41.912 -3.282 17967 761 1 2 . 1 1 78 78 TYR H H 76 7.980 7.980 7.817 0.163 17967 762 1 2 . 1 1 79 79 ARG N N 77 124.710 124.710 122.210 2.500 17967 763 1 2 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.953 -0.753 17967 764 1 2 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.765 0.265 17967 765 1 2 . 1 1 79 79 ARG CB C 77 31.030 31.030 29.290 1.740 17967 766 1 2 . 1 1 79 79 ARG H H 77 7.880 7.880 8.230 -0.350 17967 767 1 2 . 1 1 80 80 HIS N N 78 122.110 122.110 117.646 4.464 17967 768 1 2 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.603 -0.093 17967 769 1 2 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.392 0.938 17967 770 1 2 . 1 1 80 80 HIS CB C 78 30.830 30.830 29.909 0.921 17967 771 1 2 . 1 1 80 80 HIS H H 78 8.120 8.120 8.785 -0.665 17967 772 1 2 . 1 1 81 81 TYR N N 79 123.610 123.610 120.810 2.800 17967 773 1 2 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.426 0.164 17967 774 1 2 . 1 1 81 81 TYR CA C 79 57.830 57.830 58.372 -0.542 17967 775 1 2 . 1 1 81 81 TYR CB C 79 39.130 39.130 39.292 -0.162 17967 776 1 2 . 1 1 81 81 TYR H H 79 7.970 7.970 7.928 0.042 17967 777 1 3 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.019 0.271 17967 778 1 3 . 1 1 2 2 ALA CA C 0 52.530 52.530 53.418 -0.888 17967 779 1 3 . 1 1 2 2 ALA CB C 0 19.730 19.730 19.634 0.096 17967 780 1 3 . 1 1 3 3 MET N N 1 122.210 122.210 117.994 4.216 17967 781 1 3 . 1 1 3 3 MET HA H 1 4.300 4.300 4.602 -0.302 17967 782 1 3 . 1 1 3 3 MET CA C 1 56.030 56.030 54.498 1.532 17967 783 1 3 . 1 1 3 3 MET CB C 1 33.430 33.430 33.170 0.260 17967 784 1 3 . 1 1 3 3 MET H H 1 8.370 8.370 7.434 0.936 17967 785 1 3 . 1 1 4 4 PHE N N 2 122.310 122.310 126.426 -4.116 17967 786 1 3 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.677 -0.047 17967 787 1 3 . 1 1 4 4 PHE CA C 2 57.330 57.330 56.296 1.034 17967 788 1 3 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.686 -1.256 17967 789 1 3 . 1 1 4 4 PHE H H 2 8.370 8.370 8.550 -0.180 17967 790 1 3 . 1 1 5 5 GLN N N 3 123.510 123.510 122.867 0.643 17967 791 1 3 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.600 -0.420 17967 792 1 3 . 1 1 5 5 GLN CA C 3 56.130 56.130 53.891 2.239 17967 793 1 3 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.043 -0.113 17967 794 1 3 . 1 1 5 5 GLN H H 3 8.260 8.260 8.709 -0.449 17967 795 1 3 . 1 1 6 6 ASP N N 4 125.010 125.010 118.999 6.011 17967 796 1 3 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.718 0.072 17967 797 1 3 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.538 0.392 17967 798 1 3 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.550 0.180 17967 799 1 3 . 1 1 6 6 ASP H H 4 8.420 8.420 8.463 -0.043 17967 800 1 3 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.524 -0.404 17967 801 1 3 . 1 1 7 7 PRO CA C 5 64.030 64.030 63.120 0.910 17967 802 1 3 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.135 0.195 17967 803 1 3 . 1 1 8 8 GLN N N 6 119.710 119.710 121.116 -1.406 17967 804 1 3 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.123 0.037 17967 805 1 3 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.477 1.153 17967 806 1 3 . 1 1 8 8 GLN CB C 6 29.330 29.330 26.624 2.706 17967 807 1 3 . 1 1 8 8 GLN H H 6 8.430 8.430 7.675 0.755 17967 808 1 3 . 1 1 9 9 GLU N N 7 122.110 122.110 121.244 0.866 17967 809 1 3 . 1 1 9 9 GLU HA H 7 4.200 4.200 3.963 0.237 17967 810 1 3 . 1 1 9 9 GLU CA C 7 56.030 56.030 57.330 -1.300 17967 811 1 3 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.549 0.981 17967 812 1 3 . 1 1 9 9 GLU H H 7 7.940 7.940 8.087 -0.147 17967 813 1 3 . 1 1 10 10 ARG N N 8 123.410 123.410 115.512 7.898 17967 814 1 3 . 1 1 10 10 ARG HA H 8 4.400 4.400 3.938 0.462 17967 815 1 3 . 1 1 10 10 ARG CA C 8 54.130 54.130 56.059 -1.929 17967 816 1 3 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.783 1.547 17967 817 1 3 . 1 1 10 10 ARG H H 8 7.660 7.660 7.916 -0.256 17967 818 1 3 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.626 -0.276 17967 819 1 3 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.796 0.734 17967 820 1 3 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.917 -0.287 17967 821 1 3 . 1 1 12 12 ARG N N 10 123.810 123.810 116.652 7.158 17967 822 1 3 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.755 -0.085 17967 823 1 3 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.754 1.076 17967 824 1 3 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.850 0.680 17967 825 1 3 . 1 1 12 12 ARG H H 10 8.710 8.710 8.720 -0.010 17967 826 1 3 . 1 1 13 13 LYS N N 11 118.410 118.410 119.552 -1.142 17967 827 1 3 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.809 0.241 17967 828 1 3 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.351 -1.021 17967 829 1 3 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.206 1.224 17967 830 1 3 . 1 1 13 13 LYS H H 11 7.800 7.800 7.680 0.120 17967 831 1 3 . 1 1 14 14 LEU N N 12 125.010 125.010 125.994 -0.984 17967 832 1 3 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.197 -0.027 17967 833 1 3 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.372 0.358 17967 834 1 3 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.897 0.633 17967 835 1 3 . 1 1 14 14 LEU H H 12 10.210 10.210 9.168 1.042 17967 836 1 3 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.279 -0.059 17967 837 1 3 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.685 1.545 17967 838 1 3 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.033 -0.303 17967 839 1 3 . 1 1 16 16 GLN N N 14 117.810 117.810 117.296 0.514 17967 840 1 3 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.131 0.059 17967 841 1 3 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.993 0.037 17967 842 1 3 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.165 0.465 17967 843 1 3 . 1 1 16 16 GLN H H 14 7.110 7.110 8.470 -1.360 17967 844 1 3 . 1 1 17 17 LEU N N 15 124.710 124.710 122.389 2.321 17967 845 1 3 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.195 -0.185 17967 846 1 3 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.891 0.439 17967 847 1 3 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.779 0.251 17967 848 1 3 . 1 1 17 17 LEU H H 15 8.010 8.010 8.021 -0.011 17967 849 1 3 . 1 1 18 18 CYS N N 16 117.210 117.210 117.332 -0.122 17967 850 1 3 . 1 1 18 18 CYS HA H 16 3.750 3.750 4.009 -0.259 17967 851 1 3 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.969 0.761 17967 852 1 3 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.006 0.224 17967 853 1 3 . 1 1 18 18 CYS H H 16 8.380 8.380 8.582 -0.202 17967 854 1 3 . 1 1 19 19 THR N N 17 117.810 117.810 115.576 2.234 17967 855 1 3 . 1 1 19 19 THR HA H 17 4.000 4.000 4.046 -0.046 17967 856 1 3 . 1 1 19 19 THR CA C 17 66.830 66.830 67.069 -0.239 17967 857 1 3 . 1 1 19 19 THR CB C 17 68.830 68.830 68.625 0.205 17967 858 1 3 . 1 1 19 19 THR H H 17 7.720 7.720 7.878 -0.158 17967 859 1 3 . 1 1 20 20 GLU N N 18 125.410 125.410 120.362 5.048 17967 860 1 3 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.196 -0.126 17967 861 1 3 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.772 0.958 17967 862 1 3 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.315 0.415 17967 863 1 3 . 1 1 20 20 GLU H H 18 8.010 8.010 7.429 0.581 17967 864 1 3 . 1 1 21 21 LEU N N 19 118.810 118.810 117.471 1.339 17967 865 1 3 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.344 -0.044 17967 866 1 3 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.149 -0.319 17967 867 1 3 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.521 0.809 17967 868 1 3 . 1 1 21 21 LEU H H 19 8.010 8.010 8.121 -0.111 17967 869 1 3 . 1 1 22 22 GLN N N 20 118.310 118.310 114.621 3.689 17967 870 1 3 . 1 1 22 22 GLN HA H 20 3.950 3.950 3.995 -0.045 17967 871 1 3 . 1 1 22 22 GLN CA C 20 56.730 56.730 56.998 -0.268 17967 872 1 3 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.253 -0.123 17967 873 1 3 . 1 1 22 22 GLN H H 20 7.860 7.860 7.606 0.254 17967 874 1 3 . 1 1 23 23 THR N N 21 115.910 115.910 111.313 4.597 17967 875 1 3 . 1 1 23 23 THR HA H 21 4.950 4.950 4.611 0.339 17967 876 1 3 . 1 1 23 23 THR CA C 21 58.530 58.530 60.198 -1.668 17967 877 1 3 . 1 1 23 23 THR CB C 21 70.330 70.330 71.430 -1.099 17967 878 1 3 . 1 1 23 23 THR H H 21 8.250 8.250 8.205 0.045 17967 879 1 3 . 1 1 24 24 THR N N 22 112.810 112.810 115.073 -2.263 17967 880 1 3 . 1 1 24 24 THR HA H 22 4.880 4.880 4.635 0.245 17967 881 1 3 . 1 1 24 24 THR CA C 22 59.730 59.730 59.631 0.099 17967 882 1 3 . 1 1 24 24 THR CB C 22 74.130 74.130 71.572 2.558 17967 883 1 3 . 1 1 24 24 THR H H 22 8.660 8.660 7.818 0.842 17967 884 1 3 . 1 1 25 25 ILE N N 23 123.710 123.710 120.513 3.197 17967 885 1 3 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.658 0.122 17967 886 1 3 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.135 -0.705 17967 887 1 3 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.883 0.747 17967 888 1 3 . 1 1 25 25 ILE H H 23 9.060 9.060 8.329 0.731 17967 889 1 3 . 1 1 26 26 HIS N N 24 119.510 119.510 113.664 5.846 17967 890 1 3 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.662 -0.222 17967 891 1 3 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.864 1.166 17967 892 1 3 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.140 1.690 17967 893 1 3 . 1 1 26 26 HIS H H 24 7.040 7.040 7.527 -0.487 17967 894 1 3 . 1 1 27 27 ASP N N 25 116.810 116.810 118.324 -1.514 17967 895 1 3 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.649 0.111 17967 896 1 3 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.088 0.342 17967 897 1 3 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.092 1.238 17967 898 1 3 . 1 1 27 27 ASP H H 25 7.250 7.250 7.615 -0.365 17967 899 1 3 . 1 1 28 28 ILE N N 26 123.210 123.210 121.749 1.461 17967 900 1 3 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.925 0.005 17967 901 1 3 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.324 0.706 17967 902 1 3 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.852 -0.923 17967 903 1 3 . 1 1 28 28 ILE H H 26 7.750 7.750 7.712 0.038 17967 904 1 3 . 1 1 29 29 ILE N N 27 131.110 131.110 129.028 2.082 17967 905 1 3 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.108 0.272 17967 906 1 3 . 1 1 29 29 ILE CA C 27 58.830 58.830 60.019 -1.189 17967 907 1 3 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.665 0.965 17967 908 1 3 . 1 1 29 29 ILE H H 27 8.270 8.270 8.254 0.016 17967 909 1 3 . 1 1 30 30 LEU N N 28 129.410 129.410 128.918 0.492 17967 910 1 3 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.788 -0.128 17967 911 1 3 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.243 -0.713 17967 912 1 3 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.399 2.931 17967 913 1 3 . 1 1 30 30 LEU H H 28 8.500 8.500 8.360 0.140 17967 914 1 3 . 1 1 31 31 GLU N N 29 121.910 121.910 121.033 0.877 17967 915 1 3 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.734 -0.054 17967 916 1 3 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.358 0.572 17967 917 1 3 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.401 0.629 17967 918 1 3 . 1 1 31 31 GLU H H 29 8.860 8.860 8.283 0.577 17967 919 1 3 . 1 1 32 32 CYS N N 30 125.710 125.710 120.372 5.338 17967 920 1 3 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.884 -0.864 17967 921 1 3 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.399 -1.169 17967 922 1 3 . 1 1 32 32 CYS CB C 30 31.730 31.730 27.010 4.720 17967 923 1 3 . 1 1 32 32 CYS H H 30 8.270 8.270 8.503 -0.233 17967 924 1 3 . 1 1 33 33 VAL N N 31 132.310 132.310 128.442 3.868 17967 925 1 3 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.053 0.047 17967 926 1 3 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.526 -1.296 17967 927 1 3 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.930 -0.300 17967 928 1 3 . 1 1 33 33 VAL H H 31 8.860 8.860 8.029 0.831 17967 929 1 3 . 1 1 34 34 TYR N N 32 124.310 124.310 115.612 8.698 17967 930 1 3 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.514 -0.074 17967 931 1 3 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.606 1.423 17967 932 1 3 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.458 1.672 17967 933 1 3 . 1 1 34 34 TYR H H 32 8.590 8.590 7.304 1.286 17967 934 1 3 . 1 1 35 35 CYS N N 33 119.810 119.810 115.259 4.551 17967 935 1 3 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.696 0.144 17967 936 1 3 . 1 1 35 35 CYS CA C 33 59.430 59.430 58.876 0.554 17967 937 1 3 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.765 3.465 17967 938 1 3 . 1 1 35 35 CYS H H 33 8.070 8.070 7.659 0.411 17967 939 1 3 . 1 1 36 36 LYS N N 34 119.910 119.910 116.475 3.435 17967 940 1 3 . 1 1 36 36 LYS HA H 34 4.190 4.190 4.007 0.183 17967 941 1 3 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.515 1.315 17967 942 1 3 . 1 1 36 36 LYS CB C 34 29.330 29.330 30.175 -0.845 17967 943 1 3 . 1 1 36 36 LYS H H 34 7.860 7.860 7.815 0.045 17967 944 1 3 . 1 1 37 37 GLN N N 35 120.710 120.710 117.791 2.919 17967 945 1 3 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.395 -0.035 17967 946 1 3 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.302 1.128 17967 947 1 3 . 1 1 37 37 GLN CB C 35 29.630 29.630 29.232 0.398 17967 948 1 3 . 1 1 37 37 GLN H H 35 8.270 8.270 7.850 0.420 17967 949 1 3 . 1 1 38 38 GLN N N 36 123.710 123.710 127.498 -3.788 17967 950 1 3 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.032 0.268 17967 951 1 3 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.582 0.148 17967 952 1 3 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.831 0.499 17967 953 1 3 . 1 1 38 38 GLN H H 36 8.640 8.640 8.688 -0.048 17967 954 1 3 . 1 1 39 39 LEU N N 37 131.310 131.310 128.321 2.989 17967 955 1 3 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.185 -0.075 17967 956 1 3 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.367 1.963 17967 957 1 3 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.376 -0.446 17967 958 1 3 . 1 1 39 39 LEU H H 37 8.870 8.870 7.835 1.035 17967 959 1 3 . 1 1 40 40 LEU N N 38 126.310 126.310 124.970 1.340 17967 960 1 3 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.253 0.057 17967 961 1 3 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.762 -0.532 17967 962 1 3 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.146 -0.016 17967 963 1 3 . 1 1 40 40 LEU H H 38 9.850 9.850 8.334 1.516 17967 964 1 3 . 1 1 41 41 ARG N N 39 127.110 127.110 125.680 1.430 17967 965 1 3 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.699 -0.179 17967 966 1 3 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.726 -1.896 17967 967 1 3 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.882 -2.952 17967 968 1 3 . 1 1 41 41 ARG H H 39 8.970 8.970 8.817 0.153 17967 969 1 3 . 1 1 42 42 ARG N N 40 115.810 115.810 118.292 -2.482 17967 970 1 3 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.263 -0.183 17967 971 1 3 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.722 -0.592 17967 972 1 3 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.847 -0.517 17967 973 1 3 . 1 1 42 42 ARG H H 40 8.610 8.610 8.666 -0.056 17967 974 1 3 . 1 1 43 43 GLU N N 41 119.910 119.910 117.531 2.379 17967 975 1 3 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.374 -0.124 17967 976 1 3 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.188 0.842 17967 977 1 3 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.185 1.145 17967 978 1 3 . 1 1 43 43 GLU H H 41 6.950 6.950 7.993 -1.043 17967 979 1 3 . 1 1 44 44 VAL N N 42 125.010 125.010 120.483 4.527 17967 980 1 3 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.571 -0.331 17967 981 1 3 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.072 1.558 17967 982 1 3 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.550 -0.220 17967 983 1 3 . 1 1 44 44 VAL H H 42 7.820 7.820 7.856 -0.036 17967 984 1 3 . 1 1 45 45 TYR N N 43 118.410 118.410 118.624 -0.214 17967 985 1 3 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.196 0.234 17967 986 1 3 . 1 1 45 45 TYR CA C 43 58.830 58.830 60.651 -1.821 17967 987 1 3 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.342 -0.612 17967 988 1 3 . 1 1 45 45 TYR H H 43 7.820 7.820 8.044 -0.224 17967 989 1 3 . 1 1 46 46 ASP N N 44 122.410 122.410 120.154 2.256 17967 990 1 3 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.352 0.248 17967 991 1 3 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.958 -0.128 17967 992 1 3 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.338 0.692 17967 993 1 3 . 1 1 46 46 ASP H H 44 8.540 8.540 7.921 0.619 17967 994 1 3 . 1 1 47 47 PHE N N 45 126.210 126.210 118.948 7.262 17967 995 1 3 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.236 -0.326 17967 996 1 3 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.565 1.065 17967 997 1 3 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.373 -0.043 17967 998 1 3 . 1 1 47 47 PHE H H 45 8.320 8.320 7.678 0.642 17967 999 1 3 . 1 1 48 48 ALA N N 46 119.110 119.110 120.004 -0.894 17967 1000 1 3 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.399 0.121 17967 1001 1 3 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.718 0.512 17967 1002 1 3 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.790 -0.060 17967 1003 1 3 . 1 1 48 48 ALA H H 46 7.740 7.740 7.880 -0.140 17967 1004 1 3 . 1 1 49 49 ARG N N 47 124.010 124.010 117.459 6.551 17967 1005 1 3 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.211 -0.161 17967 1006 1 3 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.774 1.856 17967 1007 1 3 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.755 -0.325 17967 1008 1 3 . 1 1 49 49 ARG H H 47 8.500 8.500 8.487 0.013 17967 1009 1 3 . 1 1 50 50 ARG N N 48 119.110 119.110 117.898 1.212 17967 1010 1 3 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.519 -0.509 17967 1011 1 3 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.774 2.356 17967 1012 1 3 . 1 1 50 50 ARG CB C 48 31.130 31.130 32.362 -1.232 17967 1013 1 3 . 1 1 50 50 ARG H H 48 7.940 7.940 7.517 0.423 17967 1014 1 3 . 1 1 51 51 ASP N N 49 120.910 120.910 119.589 1.321 17967 1015 1 3 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.822 -0.402 17967 1016 1 3 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.779 0.751 17967 1017 1 3 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.781 -0.851 17967 1018 1 3 . 1 1 51 51 ASP H H 49 7.950 7.950 8.397 -0.447 17967 1019 1 3 . 1 1 52 52 LEU N N 50 118.410 118.410 122.558 -4.148 17967 1020 1 3 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.485 -0.335 17967 1021 1 3 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.189 1.041 17967 1022 1 3 . 1 1 52 52 LEU CB C 50 41.130 41.130 43.667 -2.538 17967 1023 1 3 . 1 1 52 52 LEU H H 50 6.640 6.640 7.604 -0.964 17967 1024 1 3 . 1 1 53 53 CYS N N 51 117.410 117.410 116.803 0.607 17967 1025 1 3 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.347 -0.417 17967 1026 1 3 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.379 2.551 17967 1027 1 3 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.217 -1.587 17967 1028 1 3 . 1 1 53 53 CYS H H 51 8.030 8.030 8.012 0.018 17967 1029 1 3 . 1 1 54 54 ILE N N 52 125.110 125.110 123.194 1.916 17967 1030 1 3 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.267 -0.257 17967 1031 1 3 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.899 -2.269 17967 1032 1 3 . 1 1 54 54 ILE CB C 52 37.330 37.330 39.149 -1.819 17967 1033 1 3 . 1 1 54 54 ILE H H 52 8.500 8.500 8.871 -0.371 17967 1034 1 3 . 1 1 55 55 VAL N N 53 127.010 127.010 124.200 2.810 17967 1035 1 3 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.608 -0.238 17967 1036 1 3 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.766 -0.136 17967 1037 1 3 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.205 2.025 17967 1038 1 3 . 1 1 55 55 VAL H H 53 8.130 8.130 8.096 0.034 17967 1039 1 3 . 1 1 56 56 TYR N N 54 124.910 124.910 127.039 -2.129 17967 1040 1 3 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.280 0.120 17967 1041 1 3 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.628 -0.298 17967 1042 1 3 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.730 1.300 17967 1043 1 3 . 1 1 56 56 TYR H H 54 8.700 8.700 8.575 0.125 17967 1044 1 3 . 1 1 57 57 ARG N N 55 123.810 123.810 125.198 -1.388 17967 1045 1 3 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.412 0.228 17967 1046 1 3 . 1 1 57 57 ARG CA C 55 55.430 55.430 56.038 -0.608 17967 1047 1 3 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.175 2.655 17967 1048 1 3 . 1 1 57 57 ARG H H 55 8.870 8.870 8.476 0.394 17967 1049 1 3 . 1 1 58 58 ASP N N 56 129.110 129.110 124.310 4.800 17967 1050 1 3 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.325 -0.015 17967 1051 1 3 . 1 1 58 58 ASP CA C 56 55.830 55.830 57.060 -1.230 17967 1052 1 3 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.071 0.059 17967 1053 1 3 . 1 1 58 58 ASP H H 56 9.620 9.620 8.916 0.704 17967 1054 1 3 . 1 1 59 59 GLY N N 57 104.510 104.510 107.559 -3.049 17967 1055 1 3 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.106 0.524 17967 1056 1 3 . 1 1 59 59 GLY H H 57 8.720 8.720 8.323 0.397 17967 1057 1 3 . 1 1 60 60 ASN N N 58 122.210 122.210 119.582 2.628 17967 1058 1 3 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.211 0.189 17967 1059 1 3 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.734 -0.404 17967 1060 1 3 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.782 -0.352 17967 1061 1 3 . 1 1 60 60 ASN H H 58 8.120 8.120 7.937 0.183 17967 1062 1 3 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.676 0.114 17967 1063 1 3 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.450 -0.420 17967 1064 1 3 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.412 2.119 17967 1065 1 3 . 1 1 62 62 TYR N N 60 119.810 119.810 122.339 -2.529 17967 1066 1 3 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.538 -0.178 17967 1067 1 3 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.417 1.813 17967 1068 1 3 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.545 0.885 17967 1069 1 3 . 1 1 62 62 TYR H H 60 8.590 8.590 7.654 0.936 17967 1070 1 3 . 1 1 63 63 ALA N N 61 123.810 123.810 121.757 2.053 17967 1071 1 3 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.200 0.220 17967 1072 1 3 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.413 -0.083 17967 1073 1 3 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.720 -0.390 17967 1074 1 3 . 1 1 63 63 ALA H H 61 8.010 8.010 8.868 -0.858 17967 1075 1 3 . 1 1 64 64 VAL N N 62 120.510 120.510 118.187 2.323 17967 1076 1 3 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.312 1.188 17967 1077 1 3 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.253 -0.023 17967 1078 1 3 . 1 1 64 64 VAL CB C 62 36.330 36.330 32.383 3.947 17967 1079 1 3 . 1 1 64 64 VAL H H 62 6.380 6.380 8.470 -2.090 17967 1080 1 3 . 1 1 65 65 CYS N N 63 130.310 130.310 125.587 4.723 17967 1081 1 3 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.341 0.219 17967 1082 1 3 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.795 -0.366 17967 1083 1 3 . 1 1 65 65 CYS CB C 63 31.130 31.130 28.547 2.583 17967 1084 1 3 . 1 1 65 65 CYS H H 63 9.430 9.430 8.256 1.174 17967 1085 1 3 . 1 1 66 66 ASP N N 64 121.110 121.110 121.089 0.021 17967 1086 1 3 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.235 0.175 17967 1087 1 3 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.254 -0.024 17967 1088 1 3 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.924 1.406 17967 1089 1 3 . 1 1 66 66 ASP H H 64 9.120 9.120 8.854 0.266 17967 1090 1 3 . 1 1 67 67 LYS N N 65 122.110 122.110 119.081 3.029 17967 1091 1 3 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.754 0.256 17967 1092 1 3 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.828 1.302 17967 1093 1 3 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.192 0.638 17967 1094 1 3 . 1 1 67 67 LYS H H 65 8.330 8.330 7.847 0.483 17967 1095 1 3 . 1 1 68 68 CYS N N 66 125.610 125.610 119.298 6.312 17967 1096 1 3 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.325 -0.215 17967 1097 1 3 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.908 0.622 17967 1098 1 3 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.397 4.333 17967 1099 1 3 . 1 1 68 68 CYS H H 66 8.700 8.700 7.688 1.012 17967 1100 1 3 . 1 1 69 69 LEU N N 67 125.310 125.310 120.948 4.362 17967 1101 1 3 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.000 0.000 17967 1102 1 3 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.431 0.099 17967 1103 1 3 . 1 1 69 69 LEU CB C 67 42.130 42.130 42.129 0.001 17967 1104 1 3 . 1 1 69 69 LEU H H 67 8.470 8.470 8.838 -0.368 17967 1105 1 3 . 1 1 70 70 LYS N N 68 119.010 119.010 119.131 -0.121 17967 1106 1 3 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.026 -0.046 17967 1107 1 3 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.875 -0.045 17967 1108 1 3 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.724 0.406 17967 1109 1 3 . 1 1 70 70 LYS H H 68 7.810 7.810 6.951 0.859 17967 1110 1 3 . 1 1 71 71 PHE N N 69 121.710 121.710 118.182 3.528 17967 1111 1 3 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.076 0.204 17967 1112 1 3 . 1 1 71 71 PHE CA C 69 59.930 59.930 60.193 -0.263 17967 1113 1 3 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.264 1.165 17967 1114 1 3 . 1 1 71 71 PHE H H 69 7.810 7.810 7.496 0.314 17967 1115 1 3 . 1 1 72 72 TYR N N 70 120.110 120.110 115.836 4.274 17967 1116 1 3 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.772 -0.452 17967 1117 1 3 . 1 1 72 72 TYR CA C 70 60.330 60.330 56.791 3.539 17967 1118 1 3 . 1 1 72 72 TYR CB C 70 40.430 40.430 36.726 3.704 17967 1119 1 3 . 1 1 72 72 TYR H H 70 8.280 8.280 8.717 -0.437 17967 1120 1 3 . 1 1 73 73 SER N N 71 117.210 117.210 116.576 0.634 17967 1121 1 3 . 1 1 73 73 SER HA H 71 4.320 4.320 4.246 0.074 17967 1122 1 3 . 1 1 73 73 SER CA C 71 60.130 60.130 61.243 -1.113 17967 1123 1 3 . 1 1 73 73 SER CB C 71 63.630 63.630 63.243 0.387 17967 1124 1 3 . 1 1 73 73 SER H H 71 7.870 7.870 7.838 0.032 17967 1125 1 3 . 1 1 74 74 LYS N N 72 122.810 122.810 122.469 0.341 17967 1126 1 3 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.139 0.131 17967 1127 1 3 . 1 1 74 74 LYS CA C 72 56.930 56.930 58.238 -1.308 17967 1128 1 3 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.154 0.476 17967 1129 1 3 . 1 1 74 74 LYS H H 72 7.800 7.800 8.362 -0.562 17967 1130 1 3 . 1 1 75 75 ILE N N 73 121.610 121.610 118.602 3.008 17967 1131 1 3 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.383 -0.273 17967 1132 1 3 . 1 1 75 75 ILE CA C 73 61.830 61.830 61.707 0.123 17967 1133 1 3 . 1 1 75 75 ILE CB C 73 38.630 38.630 37.829 0.801 17967 1134 1 3 . 1 1 75 75 ILE H H 73 7.750 7.750 7.697 0.053 17967 1135 1 3 . 1 1 76 76 SER N N 74 120.410 120.410 117.334 3.076 17967 1136 1 3 . 1 1 76 76 SER HA H 74 4.300 4.300 4.273 0.027 17967 1137 1 3 . 1 1 76 76 SER CA C 74 59.330 59.330 61.164 -1.834 17967 1138 1 3 . 1 1 76 76 SER CB C 74 63.830 63.830 63.424 0.406 17967 1139 1 3 . 1 1 76 76 SER H H 74 8.130 8.130 7.696 0.434 17967 1140 1 3 . 1 1 77 77 GLU N N 75 123.810 123.810 120.866 2.944 17967 1141 1 3 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.586 -0.396 17967 1142 1 3 . 1 1 77 77 GLU CA C 75 57.330 57.330 55.731 1.599 17967 1143 1 3 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.990 -0.860 17967 1144 1 3 . 1 1 77 77 GLU H H 75 8.270 8.270 8.214 0.056 17967 1145 1 3 . 1 1 78 78 TYR N N 76 122.410 122.410 125.813 -3.403 17967 1146 1 3 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.925 -0.465 17967 1147 1 3 . 1 1 78 78 TYR CA C 76 58.130 58.130 57.296 0.834 17967 1148 1 3 . 1 1 78 78 TYR CB C 76 38.630 38.630 39.115 -0.485 17967 1149 1 3 . 1 1 78 78 TYR H H 76 7.980 7.980 8.565 -0.585 17967 1150 1 3 . 1 1 79 79 ARG N N 77 124.710 124.710 125.148 -0.438 17967 1151 1 3 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.516 -0.316 17967 1152 1 3 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.384 0.646 17967 1153 1 3 . 1 1 79 79 ARG CB C 77 31.030 31.030 31.520 -0.490 17967 1154 1 3 . 1 1 79 79 ARG H H 77 7.880 7.880 8.756 -0.876 17967 1155 1 3 . 1 1 80 80 HIS N N 78 122.110 122.110 117.885 4.225 17967 1156 1 3 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.823 -0.313 17967 1157 1 3 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.800 0.530 17967 1158 1 3 . 1 1 80 80 HIS CB C 78 30.830 30.830 28.221 2.609 17967 1159 1 3 . 1 1 80 80 HIS H H 78 8.120 8.120 8.123 -0.003 17967 1160 1 3 . 1 1 81 81 TYR N N 79 123.610 123.610 124.954 -1.344 17967 1161 1 3 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.698 -0.108 17967 1162 1 3 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.346 0.485 17967 1163 1 3 . 1 1 81 81 TYR CB C 79 39.130 39.130 41.478 -2.348 17967 1164 1 3 . 1 1 81 81 TYR H H 79 7.970 7.970 8.109 -0.139 17967 1165 1 4 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.227 0.063 17967 1166 1 4 . 1 1 2 2 ALA CA C 0 52.530 52.530 52.567 -0.037 17967 1167 1 4 . 1 1 2 2 ALA CB C 0 19.730 19.730 18.606 1.124 17967 1168 1 4 . 1 1 3 3 MET N N 1 122.210 122.210 125.110 -2.900 17967 1169 1 4 . 1 1 3 3 MET HA H 1 4.300 4.300 4.978 -0.678 17967 1170 1 4 . 1 1 3 3 MET CA C 1 56.030 56.030 54.016 2.014 17967 1171 1 4 . 1 1 3 3 MET CB C 1 33.430 33.430 33.266 0.164 17967 1172 1 4 . 1 1 3 3 MET H H 1 8.370 8.370 7.956 0.414 17967 1173 1 4 . 1 1 4 4 PHE N N 2 122.310 122.310 126.016 -3.706 17967 1174 1 4 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.737 -0.107 17967 1175 1 4 . 1 1 4 4 PHE CA C 2 57.330 57.330 55.431 1.899 17967 1176 1 4 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.057 -1.627 17967 1177 1 4 . 1 1 4 4 PHE H H 2 8.370 8.370 8.546 -0.176 17967 1178 1 4 . 1 1 5 5 GLN N N 3 123.510 123.510 125.483 -1.973 17967 1179 1 4 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.532 -0.352 17967 1180 1 4 . 1 1 5 5 GLN CA C 3 56.130 56.130 53.263 2.867 17967 1181 1 4 . 1 1 5 5 GLN CB C 3 29.930 29.930 31.186 -1.256 17967 1182 1 4 . 1 1 5 5 GLN H H 3 8.260 8.260 8.421 -0.161 17967 1183 1 4 . 1 1 6 6 ASP N N 4 125.010 125.010 118.117 6.893 17967 1184 1 4 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.611 0.179 17967 1185 1 4 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.833 0.097 17967 1186 1 4 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.767 0.963 17967 1187 1 4 . 1 1 6 6 ASP H H 4 8.420 8.420 8.345 0.075 17967 1188 1 4 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.235 -0.115 17967 1189 1 4 . 1 1 7 7 PRO CA C 5 64.030 64.030 63.764 0.266 17967 1190 1 4 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.102 0.228 17967 1191 1 4 . 1 1 8 8 GLN N N 6 119.710 119.710 119.479 0.231 17967 1192 1 4 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.006 0.154 17967 1193 1 4 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.239 1.391 17967 1194 1 4 . 1 1 8 8 GLN CB C 6 29.330 29.330 25.715 3.615 17967 1195 1 4 . 1 1 8 8 GLN H H 6 8.430 8.430 7.872 0.558 17967 1196 1 4 . 1 1 9 9 GLU N N 7 122.110 122.110 121.696 0.414 17967 1197 1 4 . 1 1 9 9 GLU HA H 7 4.200 4.200 3.741 0.459 17967 1198 1 4 . 1 1 9 9 GLU CA C 7 56.030 56.030 58.709 -2.679 17967 1199 1 4 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.040 0.490 17967 1200 1 4 . 1 1 9 9 GLU H H 7 7.940 7.940 8.444 -0.504 17967 1201 1 4 . 1 1 10 10 ARG N N 8 123.410 123.410 114.783 8.627 17967 1202 1 4 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.235 0.165 17967 1203 1 4 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.675 -1.545 17967 1204 1 4 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.593 0.737 17967 1205 1 4 . 1 1 10 10 ARG H H 8 7.660 7.660 7.639 0.021 17967 1206 1 4 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.741 -0.391 17967 1207 1 4 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.765 0.765 17967 1208 1 4 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.920 -0.290 17967 1209 1 4 . 1 1 12 12 ARG N N 10 123.810 123.810 116.568 7.242 17967 1210 1 4 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.756 -0.086 17967 1211 1 4 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.414 0.416 17967 1212 1 4 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.727 0.803 17967 1213 1 4 . 1 1 12 12 ARG H H 10 8.710 8.710 8.790 -0.080 17967 1214 1 4 . 1 1 13 13 LYS N N 11 118.410 118.410 119.518 -1.108 17967 1215 1 4 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.809 0.241 17967 1216 1 4 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.453 -1.123 17967 1217 1 4 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.855 0.575 17967 1218 1 4 . 1 1 13 13 LYS H H 11 7.800 7.800 7.703 0.097 17967 1219 1 4 . 1 1 14 14 LEU N N 12 125.010 125.010 125.974 -0.964 17967 1220 1 4 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.141 0.029 17967 1221 1 4 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.246 0.484 17967 1222 1 4 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.922 0.608 17967 1223 1 4 . 1 1 14 14 LEU H H 12 10.210 10.210 9.173 1.037 17967 1224 1 4 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.276 -0.056 17967 1225 1 4 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.610 1.620 17967 1226 1 4 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.038 -0.308 17967 1227 1 4 . 1 1 16 16 GLN N N 14 117.810 117.810 117.234 0.576 17967 1228 1 4 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.166 0.024 17967 1229 1 4 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.734 0.296 17967 1230 1 4 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.181 0.449 17967 1231 1 4 . 1 1 16 16 GLN H H 14 7.110 7.110 8.492 -1.382 17967 1232 1 4 . 1 1 17 17 LEU N N 15 124.710 124.710 122.831 1.879 17967 1233 1 4 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.177 -0.167 17967 1234 1 4 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.884 0.446 17967 1235 1 4 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.684 0.346 17967 1236 1 4 . 1 1 17 17 LEU H H 15 8.010 8.010 8.186 -0.176 17967 1237 1 4 . 1 1 18 18 CYS N N 16 117.210 117.210 117.257 -0.047 17967 1238 1 4 . 1 1 18 18 CYS HA H 16 3.750 3.750 3.971 -0.221 17967 1239 1 4 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.560 1.170 17967 1240 1 4 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.844 0.386 17967 1241 1 4 . 1 1 18 18 CYS H H 16 8.380 8.380 8.503 -0.123 17967 1242 1 4 . 1 1 19 19 THR N N 17 117.810 117.810 117.050 0.760 17967 1243 1 4 . 1 1 19 19 THR HA H 17 4.000 4.000 3.942 0.058 17967 1244 1 4 . 1 1 19 19 THR CA C 17 66.830 66.830 67.095 -0.265 17967 1245 1 4 . 1 1 19 19 THR CB C 17 68.830 68.830 68.689 0.141 17967 1246 1 4 . 1 1 19 19 THR H H 17 7.720 7.720 7.964 -0.244 17967 1247 1 4 . 1 1 20 20 GLU N N 18 125.410 125.410 121.056 4.354 17967 1248 1 4 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.141 -0.071 17967 1249 1 4 . 1 1 20 20 GLU CA C 18 59.730 59.730 59.130 0.600 17967 1250 1 4 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.699 0.031 17967 1251 1 4 . 1 1 20 20 GLU H H 18 8.010 8.010 7.650 0.360 17967 1252 1 4 . 1 1 21 21 LEU N N 19 118.810 118.810 116.558 2.252 17967 1253 1 4 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.223 0.077 17967 1254 1 4 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.228 -0.398 17967 1255 1 4 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.925 0.405 17967 1256 1 4 . 1 1 21 21 LEU H H 19 8.010 8.010 8.037 -0.027 17967 1257 1 4 . 1 1 22 22 GLN N N 20 118.310 118.310 115.723 2.587 17967 1258 1 4 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.024 -0.074 17967 1259 1 4 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.071 -0.341 17967 1260 1 4 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.096 0.034 17967 1261 1 4 . 1 1 22 22 GLN H H 20 7.860 7.860 7.911 -0.051 17967 1262 1 4 . 1 1 23 23 THR N N 21 115.910 115.910 111.350 4.560 17967 1263 1 4 . 1 1 23 23 THR HA H 21 4.950 4.950 4.606 0.344 17967 1264 1 4 . 1 1 23 23 THR CA C 21 58.530 58.530 59.606 -1.076 17967 1265 1 4 . 1 1 23 23 THR CB C 21 70.330 70.330 70.242 0.088 17967 1266 1 4 . 1 1 23 23 THR H H 21 8.250 8.250 8.165 0.085 17967 1267 1 4 . 1 1 24 24 THR N N 22 112.810 112.810 114.084 -1.274 17967 1268 1 4 . 1 1 24 24 THR HA H 22 4.880 4.880 4.557 0.323 17967 1269 1 4 . 1 1 24 24 THR CA C 22 59.730 59.730 60.404 -0.674 17967 1270 1 4 . 1 1 24 24 THR CB C 22 74.130 74.130 71.095 3.035 17967 1271 1 4 . 1 1 24 24 THR H H 22 8.660 8.660 7.880 0.780 17967 1272 1 4 . 1 1 25 25 ILE N N 23 123.710 123.710 120.759 2.951 17967 1273 1 4 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.697 0.083 17967 1274 1 4 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.322 -0.892 17967 1275 1 4 . 1 1 25 25 ILE CB C 23 38.630 38.630 38.000 0.630 17967 1276 1 4 . 1 1 25 25 ILE H H 23 9.060 9.060 8.198 0.862 17967 1277 1 4 . 1 1 26 26 HIS N N 24 119.510 119.510 113.531 5.979 17967 1278 1 4 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.502 -0.062 17967 1279 1 4 . 1 1 26 26 HIS CA C 24 57.030 57.030 56.078 0.952 17967 1280 1 4 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.325 1.505 17967 1281 1 4 . 1 1 26 26 HIS H H 24 7.040 7.040 7.611 -0.571 17967 1282 1 4 . 1 1 27 27 ASP N N 25 116.810 116.810 118.346 -1.536 17967 1283 1 4 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.603 0.157 17967 1284 1 4 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.119 0.311 17967 1285 1 4 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.834 1.496 17967 1286 1 4 . 1 1 27 27 ASP H H 25 7.250 7.250 7.680 -0.430 17967 1287 1 4 . 1 1 28 28 ILE N N 26 123.210 123.210 121.947 1.263 17967 1288 1 4 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.833 0.097 17967 1289 1 4 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.443 0.587 17967 1290 1 4 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.543 -0.613 17967 1291 1 4 . 1 1 28 28 ILE H H 26 7.750 7.750 7.725 0.025 17967 1292 1 4 . 1 1 29 29 ILE N N 27 131.110 131.110 129.339 1.771 17967 1293 1 4 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.028 0.352 17967 1294 1 4 . 1 1 29 29 ILE CA C 27 58.830 58.830 60.023 -1.192 17967 1295 1 4 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.483 1.147 17967 1296 1 4 . 1 1 29 29 ILE H H 27 8.270 8.270 8.272 -0.002 17967 1297 1 4 . 1 1 30 30 LEU N N 28 129.410 129.410 128.674 0.736 17967 1298 1 4 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.569 0.091 17967 1299 1 4 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.078 -0.548 17967 1300 1 4 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.562 2.768 17967 1301 1 4 . 1 1 30 30 LEU H H 28 8.500 8.500 8.288 0.212 17967 1302 1 4 . 1 1 31 31 GLU N N 29 121.910 121.910 120.995 0.915 17967 1303 1 4 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.826 -0.146 17967 1304 1 4 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.366 0.564 17967 1305 1 4 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.524 0.506 17967 1306 1 4 . 1 1 31 31 GLU H H 29 8.860 8.860 8.223 0.637 17967 1307 1 4 . 1 1 32 32 CYS N N 30 125.710 125.710 119.877 5.833 17967 1308 1 4 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.952 -0.932 17967 1309 1 4 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.608 -1.378 17967 1310 1 4 . 1 1 32 32 CYS CB C 30 31.730 31.730 27.467 4.263 17967 1311 1 4 . 1 1 32 32 CYS H H 30 8.270 8.270 8.586 -0.316 17967 1312 1 4 . 1 1 33 33 VAL N N 31 132.310 132.310 127.924 4.386 17967 1313 1 4 . 1 1 33 33 VAL HA H 31 3.100 3.100 2.863 0.237 17967 1314 1 4 . 1 1 33 33 VAL CA C 31 64.230 64.230 64.829 -0.599 17967 1315 1 4 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.953 -0.323 17967 1316 1 4 . 1 1 33 33 VAL H H 31 8.860 8.860 7.995 0.865 17967 1317 1 4 . 1 1 34 34 TYR N N 32 124.310 124.310 116.406 7.904 17967 1318 1 4 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.611 -0.171 17967 1319 1 4 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.762 1.268 17967 1320 1 4 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.004 2.126 17967 1321 1 4 . 1 1 34 34 TYR H H 32 8.590 8.590 7.258 1.332 17967 1322 1 4 . 1 1 35 35 CYS N N 33 119.810 119.810 115.104 4.706 17967 1323 1 4 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.606 0.234 17967 1324 1 4 . 1 1 35 35 CYS CA C 33 59.430 59.430 58.484 0.946 17967 1325 1 4 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.083 4.147 17967 1326 1 4 . 1 1 35 35 CYS H H 33 8.070 8.070 7.713 0.357 17967 1327 1 4 . 1 1 36 36 LYS N N 34 119.910 119.910 116.132 3.778 17967 1328 1 4 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.954 0.236 17967 1329 1 4 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.134 0.696 17967 1330 1 4 . 1 1 36 36 LYS CB C 34 29.330 29.330 29.613 -0.282 17967 1331 1 4 . 1 1 36 36 LYS H H 34 7.860 7.860 7.923 -0.063 17967 1332 1 4 . 1 1 37 37 GLN N N 35 120.710 120.710 114.520 6.190 17967 1333 1 4 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.494 -0.134 17967 1334 1 4 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.157 1.273 17967 1335 1 4 . 1 1 37 37 GLN CB C 35 29.630 29.630 30.072 -0.442 17967 1336 1 4 . 1 1 37 37 GLN H H 35 8.270 8.270 7.738 0.532 17967 1337 1 4 . 1 1 38 38 GLN N N 36 123.710 123.710 122.576 1.134 17967 1338 1 4 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.300 0.000 17967 1339 1 4 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.141 0.589 17967 1340 1 4 . 1 1 38 38 GLN CB C 36 29.330 29.330 29.184 0.146 17967 1341 1 4 . 1 1 38 38 GLN H H 36 8.640 8.640 8.518 0.122 17967 1342 1 4 . 1 1 39 39 LEU N N 37 131.310 131.310 125.266 6.044 17967 1343 1 4 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.308 -0.198 17967 1344 1 4 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.492 1.837 17967 1345 1 4 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.345 -0.415 17967 1346 1 4 . 1 1 39 39 LEU H H 37 8.870 8.870 8.163 0.707 17967 1347 1 4 . 1 1 40 40 LEU N N 38 126.310 126.310 124.905 1.405 17967 1348 1 4 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.315 -0.005 17967 1349 1 4 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.644 -0.414 17967 1350 1 4 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.233 -0.103 17967 1351 1 4 . 1 1 40 40 LEU H H 38 9.850 9.850 9.529 0.321 17967 1352 1 4 . 1 1 41 41 ARG N N 39 127.110 127.110 125.245 1.865 17967 1353 1 4 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.715 -0.195 17967 1354 1 4 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.527 -1.697 17967 1355 1 4 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.570 -2.640 17967 1356 1 4 . 1 1 41 41 ARG H H 39 8.970 8.970 8.880 0.090 17967 1357 1 4 . 1 1 42 42 ARG N N 40 115.810 115.810 117.679 -1.869 17967 1358 1 4 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.271 -0.191 17967 1359 1 4 . 1 1 42 42 ARG CA C 40 59.130 59.130 58.979 0.151 17967 1360 1 4 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.357 -0.027 17967 1361 1 4 . 1 1 42 42 ARG H H 40 8.610 8.610 8.585 0.025 17967 1362 1 4 . 1 1 43 43 GLU N N 41 119.910 119.910 119.718 0.192 17967 1363 1 4 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.605 -0.355 17967 1364 1 4 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.929 0.101 17967 1365 1 4 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.517 0.813 17967 1366 1 4 . 1 1 43 43 GLU H H 41 6.950 6.950 7.998 -1.048 17967 1367 1 4 . 1 1 44 44 VAL N N 42 125.010 125.010 120.150 4.860 17967 1368 1 4 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.658 -0.418 17967 1369 1 4 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.330 1.300 17967 1370 1 4 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.329 0.001 17967 1371 1 4 . 1 1 44 44 VAL H H 42 7.820 7.820 7.779 0.041 17967 1372 1 4 . 1 1 45 45 TYR N N 43 118.410 118.410 118.986 -0.576 17967 1373 1 4 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.143 0.287 17967 1374 1 4 . 1 1 45 45 TYR CA C 43 58.830 58.830 60.804 -1.974 17967 1375 1 4 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.201 -0.471 17967 1376 1 4 . 1 1 45 45 TYR H H 43 7.820 7.820 7.947 -0.127 17967 1377 1 4 . 1 1 46 46 ASP N N 44 122.410 122.410 120.068 2.342 17967 1378 1 4 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.303 0.297 17967 1379 1 4 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.678 0.152 17967 1380 1 4 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.298 0.732 17967 1381 1 4 . 1 1 46 46 ASP H H 44 8.540 8.540 7.905 0.635 17967 1382 1 4 . 1 1 47 47 PHE N N 45 126.210 126.210 119.261 6.949 17967 1383 1 4 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.114 -0.204 17967 1384 1 4 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.827 0.803 17967 1385 1 4 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.124 0.206 17967 1386 1 4 . 1 1 47 47 PHE H H 45 8.320 8.320 7.812 0.508 17967 1387 1 4 . 1 1 48 48 ALA N N 46 119.110 119.110 118.108 1.002 17967 1388 1 4 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.366 0.154 17967 1389 1 4 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.447 0.783 17967 1390 1 4 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.804 -0.074 17967 1391 1 4 . 1 1 48 48 ALA H H 46 7.740 7.740 7.717 0.023 17967 1392 1 4 . 1 1 49 49 ARG N N 47 124.010 124.010 117.389 6.621 17967 1393 1 4 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.349 -0.299 17967 1394 1 4 . 1 1 49 49 ARG CA C 47 59.630 59.630 56.654 2.976 17967 1395 1 4 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.265 0.165 17967 1396 1 4 . 1 1 49 49 ARG H H 47 8.500 8.500 8.142 0.358 17967 1397 1 4 . 1 1 50 50 ARG N N 48 119.110 119.110 118.610 0.500 17967 1398 1 4 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.584 -0.574 17967 1399 1 4 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.127 2.003 17967 1400 1 4 . 1 1 50 50 ARG CB C 48 31.130 31.130 32.049 -0.919 17967 1401 1 4 . 1 1 50 50 ARG H H 48 7.940 7.940 7.681 0.259 17967 1402 1 4 . 1 1 51 51 ASP N N 49 120.910 120.910 118.020 2.890 17967 1403 1 4 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.661 -0.241 17967 1404 1 4 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.405 1.125 17967 1405 1 4 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.659 -0.729 17967 1406 1 4 . 1 1 51 51 ASP H H 49 7.950 7.950 8.366 -0.416 17967 1407 1 4 . 1 1 52 52 LEU N N 50 118.410 118.410 121.058 -2.648 17967 1408 1 4 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.203 -0.053 17967 1409 1 4 . 1 1 52 52 LEU CA C 50 54.230 54.230 55.702 -1.472 17967 1410 1 4 . 1 1 52 52 LEU CB C 50 41.130 41.130 41.947 -0.817 17967 1411 1 4 . 1 1 52 52 LEU H H 50 6.640 6.640 7.222 -0.582 17967 1412 1 4 . 1 1 53 53 CYS N N 51 117.410 117.410 116.689 0.721 17967 1413 1 4 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.187 -0.257 17967 1414 1 4 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.343 2.587 17967 1415 1 4 . 1 1 53 53 CYS CB C 51 28.630 28.630 31.141 -2.511 17967 1416 1 4 . 1 1 53 53 CYS H H 51 8.030 8.030 8.390 -0.360 17967 1417 1 4 . 1 1 54 54 ILE N N 52 125.110 125.110 121.999 3.111 17967 1418 1 4 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.365 -0.355 17967 1419 1 4 . 1 1 54 54 ILE CA C 52 59.630 59.630 62.161 -2.531 17967 1420 1 4 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.697 -1.367 17967 1421 1 4 . 1 1 54 54 ILE H H 52 8.500 8.500 8.817 -0.317 17967 1422 1 4 . 1 1 55 55 VAL N N 53 127.010 127.010 122.641 4.369 17967 1423 1 4 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.614 -0.244 17967 1424 1 4 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.721 -0.091 17967 1425 1 4 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.798 1.432 17967 1426 1 4 . 1 1 55 55 VAL H H 53 8.130 8.130 8.155 -0.025 17967 1427 1 4 . 1 1 56 56 TYR N N 54 124.910 124.910 127.094 -2.184 17967 1428 1 4 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.341 0.059 17967 1429 1 4 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.178 0.152 17967 1430 1 4 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.442 1.588 17967 1431 1 4 . 1 1 56 56 TYR H H 54 8.700 8.700 8.925 -0.225 17967 1432 1 4 . 1 1 57 57 ARG N N 55 123.810 123.810 126.108 -2.298 17967 1433 1 4 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.356 0.284 17967 1434 1 4 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.985 -0.555 17967 1435 1 4 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.175 2.655 17967 1436 1 4 . 1 1 57 57 ARG H H 55 8.870 8.870 8.579 0.291 17967 1437 1 4 . 1 1 58 58 ASP N N 56 129.110 129.110 125.171 3.939 17967 1438 1 4 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.318 -0.008 17967 1439 1 4 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.643 -0.813 17967 1440 1 4 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.519 -0.389 17967 1441 1 4 . 1 1 58 58 ASP H H 56 9.620 9.620 8.899 0.721 17967 1442 1 4 . 1 1 59 59 GLY N N 57 104.510 104.510 107.265 -2.755 17967 1443 1 4 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.436 0.194 17967 1444 1 4 . 1 1 59 59 GLY H H 57 8.720 8.720 8.532 0.188 17967 1445 1 4 . 1 1 60 60 ASN N N 58 122.210 122.210 119.123 3.087 17967 1446 1 4 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.338 0.062 17967 1447 1 4 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.506 -0.176 17967 1448 1 4 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.452 -1.022 17967 1449 1 4 . 1 1 60 60 ASN H H 58 8.120 8.120 7.964 0.156 17967 1450 1 4 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.653 0.137 17967 1451 1 4 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.474 -0.444 17967 1452 1 4 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.225 2.305 17967 1453 1 4 . 1 1 62 62 TYR N N 60 119.810 119.810 123.060 -3.250 17967 1454 1 4 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.600 -0.240 17967 1455 1 4 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.323 1.907 17967 1456 1 4 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.482 0.948 17967 1457 1 4 . 1 1 62 62 TYR H H 60 8.590 8.590 7.726 0.864 17967 1458 1 4 . 1 1 63 63 ALA N N 61 123.810 123.810 122.038 1.772 17967 1459 1 4 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.116 0.304 17967 1460 1 4 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.416 -0.086 17967 1461 1 4 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.629 -0.299 17967 1462 1 4 . 1 1 63 63 ALA H H 61 8.010 8.010 8.750 -0.740 17967 1463 1 4 . 1 1 64 64 VAL N N 62 120.510 120.510 117.979 2.531 17967 1464 1 4 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.258 1.242 17967 1465 1 4 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.627 -0.397 17967 1466 1 4 . 1 1 64 64 VAL CB C 62 36.330 36.330 32.943 3.387 17967 1467 1 4 . 1 1 64 64 VAL H H 62 6.380 6.380 8.391 -2.011 17967 1468 1 4 . 1 1 65 65 CYS N N 63 130.310 130.310 125.563 4.747 17967 1469 1 4 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.333 0.227 17967 1470 1 4 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.826 -0.396 17967 1471 1 4 . 1 1 65 65 CYS CB C 63 31.130 31.130 29.293 1.837 17967 1472 1 4 . 1 1 65 65 CYS H H 63 9.430 9.430 8.137 1.293 17967 1473 1 4 . 1 1 66 66 ASP N N 64 121.110 121.110 121.557 -0.447 17967 1474 1 4 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.251 0.159 17967 1475 1 4 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.049 0.181 17967 1476 1 4 . 1 1 66 66 ASP CB C 64 42.330 42.330 41.107 1.223 17967 1477 1 4 . 1 1 66 66 ASP H H 64 9.120 9.120 8.596 0.524 17967 1478 1 4 . 1 1 67 67 LYS N N 65 122.110 122.110 119.240 2.870 17967 1479 1 4 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.772 0.238 17967 1480 1 4 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.921 1.209 17967 1481 1 4 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.288 0.543 17967 1482 1 4 . 1 1 67 67 LYS H H 65 8.330 8.330 7.803 0.527 17967 1483 1 4 . 1 1 68 68 CYS N N 66 125.610 125.610 118.243 7.367 17967 1484 1 4 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.340 -0.230 17967 1485 1 4 . 1 1 68 68 CYS CA C 66 63.530 63.530 61.937 1.593 17967 1486 1 4 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.278 4.452 17967 1487 1 4 . 1 1 68 68 CYS H H 66 8.700 8.700 7.508 1.192 17967 1488 1 4 . 1 1 69 69 LEU N N 67 125.310 125.310 120.755 4.555 17967 1489 1 4 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.073 -0.073 17967 1490 1 4 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.061 0.469 17967 1491 1 4 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.342 0.789 17967 1492 1 4 . 1 1 69 69 LEU H H 67 8.470 8.470 8.569 -0.099 17967 1493 1 4 . 1 1 70 70 LYS N N 68 119.010 119.010 118.305 0.705 17967 1494 1 4 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.166 -0.186 17967 1495 1 4 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.627 0.203 17967 1496 1 4 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.922 0.208 17967 1497 1 4 . 1 1 70 70 LYS H H 68 7.810 7.810 7.310 0.500 17967 1498 1 4 . 1 1 71 71 PHE N N 69 121.710 121.710 117.815 3.895 17967 1499 1 4 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.246 0.034 17967 1500 1 4 . 1 1 71 71 PHE CA C 69 59.930 59.930 59.829 0.101 17967 1501 1 4 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.438 0.992 17967 1502 1 4 . 1 1 71 71 PHE H H 69 7.810 7.810 7.359 0.451 17967 1503 1 4 . 1 1 72 72 TYR N N 70 120.110 120.110 115.904 4.206 17967 1504 1 4 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.590 -0.270 17967 1505 1 4 . 1 1 72 72 TYR CA C 70 60.330 60.330 59.660 0.670 17967 1506 1 4 . 1 1 72 72 TYR CB C 70 40.430 40.430 39.351 1.079 17967 1507 1 4 . 1 1 72 72 TYR H H 70 8.280 8.280 8.665 -0.385 17967 1508 1 4 . 1 1 73 73 SER N N 71 117.210 117.210 112.785 4.425 17967 1509 1 4 . 1 1 73 73 SER HA H 71 4.320 4.320 3.990 0.330 17967 1510 1 4 . 1 1 73 73 SER CA C 71 60.130 60.130 61.388 -1.258 17967 1511 1 4 . 1 1 73 73 SER CB C 71 63.630 63.630 62.165 1.465 17967 1512 1 4 . 1 1 73 73 SER H H 71 7.870 7.870 8.839 -0.969 17967 1513 1 4 . 1 1 74 74 LYS N N 72 122.810 122.810 122.838 -0.028 17967 1514 1 4 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.203 0.067 17967 1515 1 4 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.147 -0.217 17967 1516 1 4 . 1 1 74 74 LYS CB C 72 32.630 32.630 33.067 -0.437 17967 1517 1 4 . 1 1 74 74 LYS H H 72 7.800 7.800 7.953 -0.153 17967 1518 1 4 . 1 1 75 75 ILE N N 73 121.610 121.610 120.640 0.970 17967 1519 1 4 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.176 -0.066 17967 1520 1 4 . 1 1 75 75 ILE CA C 73 61.830 61.830 62.169 -0.339 17967 1521 1 4 . 1 1 75 75 ILE CB C 73 38.630 38.630 36.810 1.820 17967 1522 1 4 . 1 1 75 75 ILE H H 73 7.750 7.750 7.476 0.274 17967 1523 1 4 . 1 1 76 76 SER N N 74 120.410 120.410 121.494 -1.084 17967 1524 1 4 . 1 1 76 76 SER HA H 74 4.300 4.300 4.889 -0.589 17967 1525 1 4 . 1 1 76 76 SER CA C 74 59.330 59.330 58.912 0.418 17967 1526 1 4 . 1 1 76 76 SER CB C 74 63.830 63.830 64.869 -1.039 17967 1527 1 4 . 1 1 76 76 SER H H 74 8.130 8.130 8.218 -0.088 17967 1528 1 4 . 1 1 77 77 GLU N N 75 123.810 123.810 122.223 1.587 17967 1529 1 4 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.252 -0.062 17967 1530 1 4 . 1 1 77 77 GLU CA C 75 57.330 57.330 57.676 -0.346 17967 1531 1 4 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.153 -0.023 17967 1532 1 4 . 1 1 77 77 GLU H H 75 8.270 8.270 8.852 -0.582 17967 1533 1 4 . 1 1 78 78 TYR N N 76 122.410 122.410 119.992 2.418 17967 1534 1 4 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.533 -0.073 17967 1535 1 4 . 1 1 78 78 TYR CA C 76 58.130 58.130 58.384 -0.254 17967 1536 1 4 . 1 1 78 78 TYR CB C 76 38.630 38.630 38.969 -0.340 17967 1537 1 4 . 1 1 78 78 TYR H H 76 7.980 7.980 8.084 -0.104 17967 1538 1 4 . 1 1 79 79 ARG N N 77 124.710 124.710 127.329 -2.619 17967 1539 1 4 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.581 -0.381 17967 1540 1 4 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.184 0.846 17967 1541 1 4 . 1 1 79 79 ARG CB C 77 31.030 31.030 32.293 -1.263 17967 1542 1 4 . 1 1 79 79 ARG H H 77 7.880 7.880 8.277 -0.397 17967 1543 1 4 . 1 1 80 80 HIS N N 78 122.110 122.110 120.379 1.731 17967 1544 1 4 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.641 -0.131 17967 1545 1 4 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.328 1.002 17967 1546 1 4 . 1 1 80 80 HIS CB C 78 30.830 30.830 27.714 3.116 17967 1547 1 4 . 1 1 80 80 HIS H H 78 8.120 8.120 8.498 -0.378 17967 1548 1 4 . 1 1 81 81 TYR N N 79 123.610 123.610 122.570 1.040 17967 1549 1 4 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.523 0.067 17967 1550 1 4 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.396 0.434 17967 1551 1 4 . 1 1 81 81 TYR CB C 79 39.130 39.130 39.915 -0.785 17967 1552 1 4 . 1 1 81 81 TYR H H 79 7.970 7.970 8.010 -0.040 17967 1553 1 5 . 1 1 2 2 ALA HA H 0 4.290 4.290 3.614 0.676 17967 1554 1 5 . 1 1 2 2 ALA CA C 0 52.530 52.530 53.579 -1.049 17967 1555 1 5 . 1 1 2 2 ALA CB C 0 19.730 19.730 18.083 1.647 17967 1556 1 5 . 1 1 3 3 MET N N 1 122.210 122.210 121.202 1.008 17967 1557 1 5 . 1 1 3 3 MET HA H 1 4.300 4.300 4.543 -0.243 17967 1558 1 5 . 1 1 3 3 MET CA C 1 56.030 56.030 54.255 1.775 17967 1559 1 5 . 1 1 3 3 MET CB C 1 33.430 33.430 30.533 2.897 17967 1560 1 5 . 1 1 3 3 MET H H 1 8.370 8.370 7.744 0.626 17967 1561 1 5 . 1 1 4 4 PHE N N 2 122.310 122.310 127.763 -5.453 17967 1562 1 5 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.796 -0.166 17967 1563 1 5 . 1 1 4 4 PHE CA C 2 57.330 57.330 55.329 2.001 17967 1564 1 5 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.403 -0.973 17967 1565 1 5 . 1 1 4 4 PHE H H 2 8.370 8.370 8.224 0.146 17967 1566 1 5 . 1 1 5 5 GLN N N 3 123.510 123.510 125.218 -1.708 17967 1567 1 5 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.408 -0.228 17967 1568 1 5 . 1 1 5 5 GLN CA C 3 56.130 56.130 54.842 1.288 17967 1569 1 5 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.840 -0.910 17967 1570 1 5 . 1 1 5 5 GLN H H 3 8.260 8.260 8.690 -0.430 17967 1571 1 5 . 1 1 6 6 ASP N N 4 125.010 125.010 124.001 1.009 17967 1572 1 5 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.525 0.265 17967 1573 1 5 . 1 1 6 6 ASP CA C 4 51.930 51.930 53.033 -1.103 17967 1574 1 5 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.196 1.534 17967 1575 1 5 . 1 1 6 6 ASP H H 4 8.420 8.420 8.371 0.049 17967 1576 1 5 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.204 -0.084 17967 1577 1 5 . 1 1 7 7 PRO CA C 5 64.030 64.030 63.734 0.296 17967 1578 1 5 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.662 0.668 17967 1579 1 5 . 1 1 8 8 GLN N N 6 119.710 119.710 116.511 3.199 17967 1580 1 5 . 1 1 8 8 GLN HA H 6 4.160 4.160 3.786 0.374 17967 1581 1 5 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.394 0.236 17967 1582 1 5 . 1 1 8 8 GLN CB C 6 29.330 29.330 26.088 3.242 17967 1583 1 5 . 1 1 8 8 GLN H H 6 8.430 8.430 8.351 0.079 17967 1584 1 5 . 1 1 9 9 GLU N N 7 122.110 122.110 122.079 0.031 17967 1585 1 5 . 1 1 9 9 GLU HA H 7 4.200 4.200 3.995 0.205 17967 1586 1 5 . 1 1 9 9 GLU CA C 7 56.030 56.030 57.554 -1.524 17967 1587 1 5 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.992 0.538 17967 1588 1 5 . 1 1 9 9 GLU H H 7 7.940 7.940 8.589 -0.649 17967 1589 1 5 . 1 1 10 10 ARG N N 8 123.410 123.410 115.116 8.294 17967 1590 1 5 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.227 0.173 17967 1591 1 5 . 1 1 10 10 ARG CA C 8 54.130 54.130 56.220 -2.090 17967 1592 1 5 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.247 1.083 17967 1593 1 5 . 1 1 10 10 ARG H H 8 7.660 7.660 8.167 -0.507 17967 1594 1 5 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.702 -0.352 17967 1595 1 5 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.713 0.817 17967 1596 1 5 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.057 -0.427 17967 1597 1 5 . 1 1 12 12 ARG N N 10 123.810 123.810 117.106 6.704 17967 1598 1 5 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.734 -0.064 17967 1599 1 5 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.483 0.347 17967 1600 1 5 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.714 0.816 17967 1601 1 5 . 1 1 12 12 ARG H H 10 8.710 8.710 8.853 -0.143 17967 1602 1 5 . 1 1 13 13 LYS N N 11 118.410 118.410 119.804 -1.394 17967 1603 1 5 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.808 0.242 17967 1604 1 5 . 1 1 13 13 LYS CA C 11 53.330 53.330 55.013 -1.683 17967 1605 1 5 . 1 1 13 13 LYS CB C 11 35.430 35.430 32.668 2.762 17967 1606 1 5 . 1 1 13 13 LYS H H 11 7.800 7.800 7.864 -0.064 17967 1607 1 5 . 1 1 14 14 LEU N N 12 125.010 125.010 126.697 -1.687 17967 1608 1 5 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.229 -0.059 17967 1609 1 5 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.280 0.450 17967 1610 1 5 . 1 1 14 14 LEU CB C 12 40.530 40.530 40.153 0.377 17967 1611 1 5 . 1 1 14 14 LEU H H 12 10.210 10.210 9.209 1.001 17967 1612 1 5 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.212 0.008 17967 1613 1 5 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.708 1.522 17967 1614 1 5 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.037 -0.307 17967 1615 1 5 . 1 1 16 16 GLN N N 14 117.810 117.810 118.161 -0.351 17967 1616 1 5 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.142 0.048 17967 1617 1 5 . 1 1 16 16 GLN CA C 14 59.030 59.030 59.096 -0.066 17967 1618 1 5 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.299 0.331 17967 1619 1 5 . 1 1 16 16 GLN H H 14 7.110 7.110 8.345 -1.235 17967 1620 1 5 . 1 1 17 17 LEU N N 15 124.710 124.710 121.855 2.855 17967 1621 1 5 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.135 -0.125 17967 1622 1 5 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.952 0.378 17967 1623 1 5 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.617 0.413 17967 1624 1 5 . 1 1 17 17 LEU H H 15 8.010 8.010 7.896 0.114 17967 1625 1 5 . 1 1 18 18 CYS N N 16 117.210 117.210 117.168 0.042 17967 1626 1 5 . 1 1 18 18 CYS HA H 16 3.750 3.750 3.976 -0.226 17967 1627 1 5 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.965 0.766 17967 1628 1 5 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.026 0.204 17967 1629 1 5 . 1 1 18 18 CYS H H 16 8.380 8.380 8.453 -0.073 17967 1630 1 5 . 1 1 19 19 THR N N 17 117.810 117.810 116.282 1.528 17967 1631 1 5 . 1 1 19 19 THR HA H 17 4.000 4.000 4.037 -0.037 17967 1632 1 5 . 1 1 19 19 THR CA C 17 66.830 66.830 66.896 -0.066 17967 1633 1 5 . 1 1 19 19 THR CB C 17 68.830 68.830 68.446 0.384 17967 1634 1 5 . 1 1 19 19 THR H H 17 7.720 7.720 7.911 -0.191 17967 1635 1 5 . 1 1 20 20 GLU N N 18 125.410 125.410 121.291 4.119 17967 1636 1 5 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.239 -0.169 17967 1637 1 5 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.833 0.897 17967 1638 1 5 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.472 0.258 17967 1639 1 5 . 1 1 20 20 GLU H H 18 8.010 8.010 7.728 0.282 17967 1640 1 5 . 1 1 21 21 LEU N N 19 118.810 118.810 117.100 1.710 17967 1641 1 5 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.307 -0.007 17967 1642 1 5 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.171 -0.341 17967 1643 1 5 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.683 0.647 17967 1644 1 5 . 1 1 21 21 LEU H H 19 8.010 8.010 8.016 -0.006 17967 1645 1 5 . 1 1 22 22 GLN N N 20 118.310 118.310 115.019 3.291 17967 1646 1 5 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.050 -0.100 17967 1647 1 5 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.057 -0.327 17967 1648 1 5 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.556 -0.426 17967 1649 1 5 . 1 1 22 22 GLN H H 20 7.860 7.860 7.779 0.081 17967 1650 1 5 . 1 1 23 23 THR N N 21 115.910 115.910 112.563 3.347 17967 1651 1 5 . 1 1 23 23 THR HA H 21 4.950 4.950 4.507 0.443 17967 1652 1 5 . 1 1 23 23 THR CA C 21 58.530 58.530 60.215 -1.685 17967 1653 1 5 . 1 1 23 23 THR CB C 21 70.330 70.330 70.913 -0.583 17967 1654 1 5 . 1 1 23 23 THR H H 21 8.250 8.250 8.488 -0.238 17967 1655 1 5 . 1 1 24 24 THR N N 22 112.810 112.810 114.610 -1.800 17967 1656 1 5 . 1 1 24 24 THR HA H 22 4.880 4.880 4.638 0.242 17967 1657 1 5 . 1 1 24 24 THR CA C 22 59.730 59.730 60.277 -0.547 17967 1658 1 5 . 1 1 24 24 THR CB C 22 74.130 74.130 71.237 2.892 17967 1659 1 5 . 1 1 24 24 THR H H 22 8.660 8.660 7.940 0.720 17967 1660 1 5 . 1 1 25 25 ILE N N 23 123.710 123.710 120.203 3.507 17967 1661 1 5 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.755 0.025 17967 1662 1 5 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.402 -0.972 17967 1663 1 5 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.882 0.748 17967 1664 1 5 . 1 1 25 25 ILE H H 23 9.060 9.060 8.276 0.784 17967 1665 1 5 . 1 1 26 26 HIS N N 24 119.510 119.510 113.029 6.481 17967 1666 1 5 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.691 -0.251 17967 1667 1 5 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.331 1.699 17967 1668 1 5 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.281 1.549 17967 1669 1 5 . 1 1 26 26 HIS H H 24 7.040 7.040 7.573 -0.533 17967 1670 1 5 . 1 1 27 27 ASP N N 25 116.810 116.810 117.705 -0.895 17967 1671 1 5 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.645 0.115 17967 1672 1 5 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.233 0.196 17967 1673 1 5 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.395 0.935 17967 1674 1 5 . 1 1 27 27 ASP H H 25 7.250 7.250 7.541 -0.291 17967 1675 1 5 . 1 1 28 28 ILE N N 26 123.210 123.210 121.439 1.771 17967 1676 1 5 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.919 0.011 17967 1677 1 5 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.420 0.610 17967 1678 1 5 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.886 -0.956 17967 1679 1 5 . 1 1 28 28 ILE H H 26 7.750 7.750 7.730 0.020 17967 1680 1 5 . 1 1 29 29 ILE N N 27 131.110 131.110 129.160 1.950 17967 1681 1 5 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.117 0.263 17967 1682 1 5 . 1 1 29 29 ILE CA C 27 58.830 58.830 60.069 -1.239 17967 1683 1 5 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.399 1.231 17967 1684 1 5 . 1 1 29 29 ILE H H 27 8.270 8.270 8.384 -0.114 17967 1685 1 5 . 1 1 30 30 LEU N N 28 129.410 129.410 128.735 0.675 17967 1686 1 5 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.664 -0.004 17967 1687 1 5 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.176 -0.646 17967 1688 1 5 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.659 2.671 17967 1689 1 5 . 1 1 30 30 LEU H H 28 8.500 8.500 8.219 0.281 17967 1690 1 5 . 1 1 31 31 GLU N N 29 121.910 121.910 120.864 1.046 17967 1691 1 5 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.915 -0.235 17967 1692 1 5 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.357 0.573 17967 1693 1 5 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.484 0.546 17967 1694 1 5 . 1 1 31 31 GLU H H 29 8.860 8.860 8.275 0.585 17967 1695 1 5 . 1 1 32 32 CYS N N 30 125.710 125.710 118.830 6.880 17967 1696 1 5 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.828 -0.808 17967 1697 1 5 . 1 1 32 32 CYS CA C 30 58.230 58.230 60.932 -2.702 17967 1698 1 5 . 1 1 32 32 CYS CB C 30 31.730 31.730 26.382 5.348 17967 1699 1 5 . 1 1 32 32 CYS H H 30 8.270 8.270 8.720 -0.450 17967 1700 1 5 . 1 1 33 33 VAL N N 31 132.310 132.310 124.400 7.910 17967 1701 1 5 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.130 -0.030 17967 1702 1 5 . 1 1 33 33 VAL CA C 31 64.230 64.230 64.578 -0.348 17967 1703 1 5 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.692 -0.062 17967 1704 1 5 . 1 1 33 33 VAL H H 31 8.860 8.860 7.866 0.994 17967 1705 1 5 . 1 1 34 34 TYR N N 32 124.310 124.310 118.136 6.174 17967 1706 1 5 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.516 -0.075 17967 1707 1 5 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.359 0.670 17967 1708 1 5 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.446 1.684 17967 1709 1 5 . 1 1 34 34 TYR H H 32 8.590 8.590 7.494 1.096 17967 1710 1 5 . 1 1 35 35 CYS N N 33 119.810 119.810 116.106 3.704 17967 1711 1 5 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.635 0.205 17967 1712 1 5 . 1 1 35 35 CYS CA C 33 59.430 59.430 59.797 -0.367 17967 1713 1 5 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.969 4.261 17967 1714 1 5 . 1 1 35 35 CYS H H 33 8.070 8.070 8.465 -0.395 17967 1715 1 5 . 1 1 36 36 LYS N N 34 119.910 119.910 116.667 3.243 17967 1716 1 5 . 1 1 36 36 LYS HA H 34 4.190 4.190 4.044 0.146 17967 1717 1 5 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.194 0.636 17967 1718 1 5 . 1 1 36 36 LYS CB C 34 29.330 29.330 29.921 -0.591 17967 1719 1 5 . 1 1 36 36 LYS H H 34 7.860 7.860 7.992 -0.132 17967 1720 1 5 . 1 1 37 37 GLN N N 35 120.710 120.710 114.929 5.781 17967 1721 1 5 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.628 -0.268 17967 1722 1 5 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.050 1.380 17967 1723 1 5 . 1 1 37 37 GLN CB C 35 29.630 29.630 30.559 -0.929 17967 1724 1 5 . 1 1 37 37 GLN H H 35 8.270 8.270 7.945 0.325 17967 1725 1 5 . 1 1 38 38 GLN N N 36 123.710 123.710 122.809 0.901 17967 1726 1 5 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.248 0.052 17967 1727 1 5 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.498 0.232 17967 1728 1 5 . 1 1 38 38 GLN CB C 36 29.330 29.330 29.147 0.183 17967 1729 1 5 . 1 1 38 38 GLN H H 36 8.640 8.640 8.544 0.096 17967 1730 1 5 . 1 1 39 39 LEU N N 37 131.310 131.310 126.134 5.176 17967 1731 1 5 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.158 -0.048 17967 1732 1 5 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.502 1.828 17967 1733 1 5 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.589 -0.659 17967 1734 1 5 . 1 1 39 39 LEU H H 37 8.870 8.870 7.764 1.106 17967 1735 1 5 . 1 1 40 40 LEU N N 38 126.310 126.310 124.026 2.284 17967 1736 1 5 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.337 -0.027 17967 1737 1 5 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.697 -0.467 17967 1738 1 5 . 1 1 40 40 LEU CB C 38 43.130 43.130 42.864 0.266 17967 1739 1 5 . 1 1 40 40 LEU H H 38 9.850 9.850 8.421 1.429 17967 1740 1 5 . 1 1 41 41 ARG N N 39 127.110 127.110 125.357 1.753 17967 1741 1 5 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.691 -0.171 17967 1742 1 5 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.450 -1.621 17967 1743 1 5 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.804 -2.874 17967 1744 1 5 . 1 1 41 41 ARG H H 39 8.970 8.970 8.874 0.096 17967 1745 1 5 . 1 1 42 42 ARG N N 40 115.810 115.810 117.156 -1.346 17967 1746 1 5 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.149 -0.069 17967 1747 1 5 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.662 -0.532 17967 1748 1 5 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.723 -0.393 17967 1749 1 5 . 1 1 42 42 ARG H H 40 8.610 8.610 8.452 0.158 17967 1750 1 5 . 1 1 43 43 GLU N N 41 119.910 119.910 120.197 -0.287 17967 1751 1 5 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.468 -0.218 17967 1752 1 5 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.786 0.244 17967 1753 1 5 . 1 1 43 43 GLU CB C 41 30.330 30.330 28.889 1.442 17967 1754 1 5 . 1 1 43 43 GLU H H 41 6.950 6.950 7.763 -0.813 17967 1755 1 5 . 1 1 44 44 VAL N N 42 125.010 125.010 120.000 5.010 17967 1756 1 5 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.589 -0.349 17967 1757 1 5 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.275 1.355 17967 1758 1 5 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.498 -0.168 17967 1759 1 5 . 1 1 44 44 VAL H H 42 7.820 7.820 8.138 -0.318 17967 1760 1 5 . 1 1 45 45 TYR N N 43 118.410 118.410 119.000 -0.590 17967 1761 1 5 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.194 0.236 17967 1762 1 5 . 1 1 45 45 TYR CA C 43 58.830 58.830 59.291 -0.461 17967 1763 1 5 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.148 -0.418 17967 1764 1 5 . 1 1 45 45 TYR H H 43 7.820 7.820 7.846 -0.026 17967 1765 1 5 . 1 1 46 46 ASP N N 44 122.410 122.410 120.193 2.217 17967 1766 1 5 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.343 0.257 17967 1767 1 5 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.737 0.093 17967 1768 1 5 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.263 0.767 17967 1769 1 5 . 1 1 46 46 ASP H H 44 8.540 8.540 8.264 0.276 17967 1770 1 5 . 1 1 47 47 PHE N N 45 126.210 126.210 119.660 6.550 17967 1771 1 5 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.074 -0.164 17967 1772 1 5 . 1 1 47 47 PHE CA C 45 62.630 62.630 62.240 0.390 17967 1773 1 5 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.137 0.193 17967 1774 1 5 . 1 1 47 47 PHE H H 45 8.320 8.320 7.943 0.377 17967 1775 1 5 . 1 1 48 48 ALA N N 46 119.110 119.110 119.103 0.007 17967 1776 1 5 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.341 0.179 17967 1777 1 5 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.803 0.427 17967 1778 1 5 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.709 0.021 17967 1779 1 5 . 1 1 48 48 ALA H H 46 7.740 7.740 7.772 -0.032 17967 1780 1 5 . 1 1 49 49 ARG N N 47 124.010 124.010 117.987 6.023 17967 1781 1 5 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.295 -0.245 17967 1782 1 5 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.441 2.189 17967 1783 1 5 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.537 -0.107 17967 1784 1 5 . 1 1 49 49 ARG H H 47 8.500 8.500 8.374 0.126 17967 1785 1 5 . 1 1 50 50 ARG N N 48 119.110 119.110 117.009 2.101 17967 1786 1 5 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.597 -0.587 17967 1787 1 5 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.532 2.598 17967 1788 1 5 . 1 1 50 50 ARG CB C 48 31.130 31.130 32.767 -1.637 17967 1789 1 5 . 1 1 50 50 ARG H H 48 7.940 7.940 8.005 -0.065 17967 1790 1 5 . 1 1 51 51 ASP N N 49 120.910 120.910 119.342 1.568 17967 1791 1 5 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.955 -0.535 17967 1792 1 5 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.821 0.709 17967 1793 1 5 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.978 -1.048 17967 1794 1 5 . 1 1 51 51 ASP H H 49 7.950 7.950 8.505 -0.555 17967 1795 1 5 . 1 1 52 52 LEU N N 50 118.410 118.410 122.172 -3.762 17967 1796 1 5 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.388 -0.238 17967 1797 1 5 . 1 1 52 52 LEU CA C 50 54.230 54.230 54.267 -0.037 17967 1798 1 5 . 1 1 52 52 LEU CB C 50 41.130 41.130 41.168 -0.038 17967 1799 1 5 . 1 1 52 52 LEU H H 50 6.640 6.640 7.842 -1.202 17967 1800 1 5 . 1 1 53 53 CYS N N 51 117.410 117.410 116.037 1.373 17967 1801 1 5 . 1 1 53 53 CYS HA H 51 4.930 4.930 4.374 0.556 17967 1802 1 5 . 1 1 53 53 CYS CA C 51 58.930 58.930 59.029 -0.099 17967 1803 1 5 . 1 1 53 53 CYS CB C 51 28.630 28.630 26.061 2.569 17967 1804 1 5 . 1 1 53 53 CYS H H 51 8.030 8.030 7.637 0.393 17967 1805 1 5 . 1 1 54 54 ILE N N 52 125.110 125.110 124.254 0.856 17967 1806 1 5 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.385 -0.375 17967 1807 1 5 . 1 1 54 54 ILE CA C 52 59.630 59.630 62.473 -2.843 17967 1808 1 5 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.741 -1.411 17967 1809 1 5 . 1 1 54 54 ILE H H 52 8.500 8.500 8.378 0.122 17967 1810 1 5 . 1 1 55 55 VAL N N 53 127.010 127.010 124.139 2.871 17967 1811 1 5 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.567 -0.197 17967 1812 1 5 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.328 0.302 17967 1813 1 5 . 1 1 55 55 VAL CB C 53 34.230 34.230 33.203 1.027 17967 1814 1 5 . 1 1 55 55 VAL H H 53 8.130 8.130 8.274 -0.144 17967 1815 1 5 . 1 1 56 56 TYR N N 54 124.910 124.910 126.425 -1.515 17967 1816 1 5 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.248 0.152 17967 1817 1 5 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.701 -0.371 17967 1818 1 5 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.816 1.214 17967 1819 1 5 . 1 1 56 56 TYR H H 54 8.700 8.700 8.643 0.057 17967 1820 1 5 . 1 1 57 57 ARG N N 55 123.810 123.810 125.298 -1.488 17967 1821 1 5 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.470 0.170 17967 1822 1 5 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.377 0.054 17967 1823 1 5 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.709 2.121 17967 1824 1 5 . 1 1 57 57 ARG H H 55 8.870 8.870 8.406 0.464 17967 1825 1 5 . 1 1 58 58 ASP N N 56 129.110 129.110 125.546 3.564 17967 1826 1 5 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.318 -0.008 17967 1827 1 5 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.228 -0.398 17967 1828 1 5 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.274 -0.144 17967 1829 1 5 . 1 1 58 58 ASP H H 56 9.620 9.620 8.934 0.686 17967 1830 1 5 . 1 1 59 59 GLY N N 57 104.510 104.510 106.949 -2.439 17967 1831 1 5 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.269 0.361 17967 1832 1 5 . 1 1 59 59 GLY H H 57 8.720 8.720 8.381 0.339 17967 1833 1 5 . 1 1 60 60 ASN N N 58 122.210 122.210 119.549 2.661 17967 1834 1 5 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.303 0.097 17967 1835 1 5 . 1 1 60 60 ASN CA C 58 50.330 50.330 51.054 -0.724 17967 1836 1 5 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.744 -0.314 17967 1837 1 5 . 1 1 60 60 ASN H H 58 8.120 8.120 7.989 0.131 17967 1838 1 5 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.556 0.234 17967 1839 1 5 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.352 -0.322 17967 1840 1 5 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.301 2.229 17967 1841 1 5 . 1 1 62 62 TYR N N 60 119.810 119.810 122.596 -2.786 17967 1842 1 5 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.589 -0.229 17967 1843 1 5 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.359 1.871 17967 1844 1 5 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.518 0.912 17967 1845 1 5 . 1 1 62 62 TYR H H 60 8.590 8.590 7.601 0.989 17967 1846 1 5 . 1 1 63 63 ALA N N 61 123.810 123.810 121.182 2.628 17967 1847 1 5 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.236 0.184 17967 1848 1 5 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.409 -0.079 17967 1849 1 5 . 1 1 63 63 ALA CB C 61 20.330 20.330 21.050 -0.720 17967 1850 1 5 . 1 1 63 63 ALA H H 61 8.010 8.010 8.988 -0.978 17967 1851 1 5 . 1 1 64 64 VAL N N 62 120.510 120.510 117.428 3.082 17967 1852 1 5 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.410 1.090 17967 1853 1 5 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.435 -0.205 17967 1854 1 5 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.614 2.716 17967 1855 1 5 . 1 1 64 64 VAL H H 62 6.380 6.380 8.542 -2.162 17967 1856 1 5 . 1 1 65 65 CYS N N 63 130.310 130.310 123.419 6.891 17967 1857 1 5 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.503 0.057 17967 1858 1 5 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.975 0.455 17967 1859 1 5 . 1 1 65 65 CYS CB C 63 31.130 31.130 29.781 1.349 17967 1860 1 5 . 1 1 65 65 CYS H H 63 9.430 9.430 8.347 1.083 17967 1861 1 5 . 1 1 66 66 ASP N N 64 121.110 121.110 120.624 0.486 17967 1862 1 5 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.252 0.158 17967 1863 1 5 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.077 0.153 17967 1864 1 5 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.801 1.529 17967 1865 1 5 . 1 1 66 66 ASP H H 64 9.120 9.120 8.916 0.204 17967 1866 1 5 . 1 1 67 67 LYS N N 65 122.110 122.110 119.631 2.479 17967 1867 1 5 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.834 0.176 17967 1868 1 5 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.751 1.379 17967 1869 1 5 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.237 0.593 17967 1870 1 5 . 1 1 67 67 LYS H H 65 8.330 8.330 7.510 0.820 17967 1871 1 5 . 1 1 68 68 CYS N N 66 125.610 125.610 119.223 6.387 17967 1872 1 5 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.150 -0.040 17967 1873 1 5 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.920 0.610 17967 1874 1 5 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.165 4.565 17967 1875 1 5 . 1 1 68 68 CYS H H 66 8.700 8.700 7.704 0.996 17967 1876 1 5 . 1 1 69 69 LEU N N 67 125.310 125.310 120.106 5.204 17967 1877 1 5 . 1 1 69 69 LEU HA H 67 4.000 4.000 3.994 0.006 17967 1878 1 5 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.530 -0.000 17967 1879 1 5 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.738 0.392 17967 1880 1 5 . 1 1 69 69 LEU H H 67 8.470 8.470 8.675 -0.205 17967 1881 1 5 . 1 1 70 70 LYS N N 68 119.010 119.010 118.123 0.887 17967 1882 1 5 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.211 -0.231 17967 1883 1 5 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.364 0.466 17967 1884 1 5 . 1 1 70 70 LYS CB C 68 32.130 32.130 32.058 0.072 17967 1885 1 5 . 1 1 70 70 LYS H H 68 7.810 7.810 7.314 0.496 17967 1886 1 5 . 1 1 71 71 PHE N N 69 121.710 121.710 119.734 1.976 17967 1887 1 5 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.050 0.230 17967 1888 1 5 . 1 1 71 71 PHE CA C 69 59.930 59.930 59.150 0.780 17967 1889 1 5 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.682 0.748 17967 1890 1 5 . 1 1 71 71 PHE H H 69 7.810 7.810 7.366 0.444 17967 1891 1 5 . 1 1 72 72 TYR N N 70 120.110 120.110 117.620 2.490 17967 1892 1 5 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.757 -0.437 17967 1893 1 5 . 1 1 72 72 TYR CA C 70 60.330 60.330 56.711 3.619 17967 1894 1 5 . 1 1 72 72 TYR CB C 70 40.430 40.430 36.608 3.822 17967 1895 1 5 . 1 1 72 72 TYR H H 70 8.280 8.280 8.918 -0.638 17967 1896 1 5 . 1 1 73 73 SER N N 71 117.210 117.210 117.608 -0.398 17967 1897 1 5 . 1 1 73 73 SER HA H 71 4.320 4.320 4.518 -0.198 17967 1898 1 5 . 1 1 73 73 SER CA C 71 60.130 60.130 60.064 0.066 17967 1899 1 5 . 1 1 73 73 SER CB C 71 63.630 63.630 63.440 0.190 17967 1900 1 5 . 1 1 73 73 SER H H 71 7.870 7.870 8.229 -0.359 17967 1901 1 5 . 1 1 74 74 LYS N N 72 122.810 122.810 120.165 2.645 17967 1902 1 5 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.062 0.208 17967 1903 1 5 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.684 -0.755 17967 1904 1 5 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.185 0.445 17967 1905 1 5 . 1 1 74 74 LYS H H 72 7.800 7.800 8.501 -0.701 17967 1906 1 5 . 1 1 75 75 ILE N N 73 121.610 121.610 118.321 3.289 17967 1907 1 5 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.195 -0.085 17967 1908 1 5 . 1 1 75 75 ILE CA C 73 61.830 61.830 63.962 -2.132 17967 1909 1 5 . 1 1 75 75 ILE CB C 73 38.630 38.630 38.152 0.478 17967 1910 1 5 . 1 1 75 75 ILE H H 73 7.750 7.750 7.910 -0.160 17967 1911 1 5 . 1 1 76 76 SER N N 74 120.410 120.410 112.336 8.074 17967 1912 1 5 . 1 1 76 76 SER HA H 74 4.300 4.300 4.726 -0.425 17967 1913 1 5 . 1 1 76 76 SER CA C 74 59.330 59.330 59.583 -0.253 17967 1914 1 5 . 1 1 76 76 SER CB C 74 63.830 63.830 62.689 1.141 17967 1915 1 5 . 1 1 76 76 SER H H 74 8.130 8.130 7.964 0.166 17967 1916 1 5 . 1 1 77 77 GLU N N 75 123.810 123.810 118.380 5.430 17967 1917 1 5 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.525 -0.335 17967 1918 1 5 . 1 1 77 77 GLU CA C 75 57.330 57.330 54.734 2.596 17967 1919 1 5 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.639 -0.509 17967 1920 1 5 . 1 1 77 77 GLU H H 75 8.270 8.270 7.424 0.846 17967 1921 1 5 . 1 1 78 78 TYR N N 76 122.410 122.410 122.819 -0.409 17967 1922 1 5 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.338 0.122 17967 1923 1 5 . 1 1 78 78 TYR CA C 76 58.130 58.130 60.320 -2.190 17967 1924 1 5 . 1 1 78 78 TYR CB C 76 38.630 38.630 38.518 0.112 17967 1925 1 5 . 1 1 78 78 TYR H H 76 7.980 7.980 7.654 0.326 17967 1926 1 5 . 1 1 79 79 ARG N N 77 124.710 124.710 124.154 0.556 17967 1927 1 5 . 1 1 79 79 ARG HA H 77 4.200 4.200 5.087 -0.887 17967 1928 1 5 . 1 1 79 79 ARG CA C 77 56.030 56.030 56.031 -0.001 17967 1929 1 5 . 1 1 79 79 ARG CB C 77 31.030 31.030 30.149 0.881 17967 1930 1 5 . 1 1 79 79 ARG H H 77 7.880 7.880 8.976 -1.096 17967 1931 1 5 . 1 1 80 80 HIS N N 78 122.110 122.110 119.054 3.056 17967 1932 1 5 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.739 -0.229 17967 1933 1 5 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.373 0.957 17967 1934 1 5 . 1 1 80 80 HIS CB C 78 30.830 30.830 30.241 0.589 17967 1935 1 5 . 1 1 80 80 HIS H H 78 8.120 8.120 8.918 -0.798 17967 1936 1 5 . 1 1 81 81 TYR N N 79 123.610 123.610 120.658 2.952 17967 1937 1 5 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.236 0.354 17967 1938 1 5 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.853 -0.023 17967 1939 1 5 . 1 1 81 81 TYR CB C 79 39.130 39.130 37.199 1.931 17967 1940 1 5 . 1 1 81 81 TYR H H 79 7.970 7.970 8.231 -0.261 17967 1941 1 6 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.538 -0.248 17967 1942 1 6 . 1 1 2 2 ALA CA C 0 52.530 52.530 51.653 0.877 17967 1943 1 6 . 1 1 2 2 ALA CB C 0 19.730 19.730 19.094 0.636 17967 1944 1 6 . 1 1 3 3 MET N N 1 122.210 122.210 124.816 -2.606 17967 1945 1 6 . 1 1 3 3 MET HA H 1 4.300 4.300 4.405 -0.105 17967 1946 1 6 . 1 1 3 3 MET CA C 1 56.030 56.030 55.149 0.881 17967 1947 1 6 . 1 1 3 3 MET CB C 1 33.430 33.430 32.179 1.251 17967 1948 1 6 . 1 1 3 3 MET H H 1 8.370 8.370 8.484 -0.114 17967 1949 1 6 . 1 1 4 4 PHE N N 2 122.310 122.310 126.097 -3.787 17967 1950 1 6 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.757 -0.127 17967 1951 1 6 . 1 1 4 4 PHE CA C 2 57.330 57.330 55.624 1.706 17967 1952 1 6 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.363 -1.933 17967 1953 1 6 . 1 1 4 4 PHE H H 2 8.370 8.370 8.703 -0.333 17967 1954 1 6 . 1 1 5 5 GLN N N 3 123.510 123.510 124.424 -0.914 17967 1955 1 6 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.150 0.030 17967 1956 1 6 . 1 1 5 5 GLN CA C 3 56.130 56.130 55.651 0.479 17967 1957 1 6 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.145 0.785 17967 1958 1 6 . 1 1 5 5 GLN H H 3 8.260 8.260 8.328 -0.068 17967 1959 1 6 . 1 1 6 6 ASP N N 4 125.010 125.010 118.942 6.068 17967 1960 1 6 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.694 0.096 17967 1961 1 6 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.591 0.339 17967 1962 1 6 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.829 -0.099 17967 1963 1 6 . 1 1 6 6 ASP H H 4 8.420 8.420 8.381 0.039 17967 1964 1 6 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.442 -0.322 17967 1965 1 6 . 1 1 7 7 PRO CA C 5 64.030 64.030 64.329 -0.299 17967 1966 1 6 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.646 -0.316 17967 1967 1 6 . 1 1 8 8 GLN N N 6 119.710 119.710 116.932 2.778 17967 1968 1 6 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.415 -0.255 17967 1969 1 6 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.103 1.527 17967 1970 1 6 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.842 0.488 17967 1971 1 6 . 1 1 8 8 GLN H H 6 8.430 8.430 8.011 0.419 17967 1972 1 6 . 1 1 9 9 GLU N N 7 122.110 122.110 120.995 1.115 17967 1973 1 6 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.137 0.063 17967 1974 1 6 . 1 1 9 9 GLU CA C 7 56.030 56.030 56.743 -0.713 17967 1975 1 6 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.722 0.808 17967 1976 1 6 . 1 1 9 9 GLU H H 7 7.940 7.940 8.277 -0.337 17967 1977 1 6 . 1 1 10 10 ARG N N 8 123.410 123.410 119.607 3.803 17967 1978 1 6 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.671 -0.271 17967 1979 1 6 . 1 1 10 10 ARG CA C 8 54.130 54.130 53.581 0.549 17967 1980 1 6 . 1 1 10 10 ARG CB C 8 29.330 29.330 30.105 -0.775 17967 1981 1 6 . 1 1 10 10 ARG H H 8 7.660 7.660 7.738 -0.078 17967 1982 1 6 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.655 -0.305 17967 1983 1 6 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.623 0.907 17967 1984 1 6 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.433 -0.803 17967 1985 1 6 . 1 1 12 12 ARG N N 10 123.810 123.810 116.606 7.204 17967 1986 1 6 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.742 -0.072 17967 1987 1 6 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.487 1.343 17967 1988 1 6 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.585 0.945 17967 1989 1 6 . 1 1 12 12 ARG H H 10 8.710 8.710 8.744 -0.034 17967 1990 1 6 . 1 1 13 13 LYS N N 11 118.410 118.410 119.642 -1.232 17967 1991 1 6 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.779 0.271 17967 1992 1 6 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.123 -0.793 17967 1993 1 6 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.029 1.401 17967 1994 1 6 . 1 1 13 13 LYS H H 11 7.800 7.800 7.661 0.139 17967 1995 1 6 . 1 1 14 14 LEU N N 12 125.010 125.010 126.334 -1.324 17967 1996 1 6 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.230 -0.060 17967 1997 1 6 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.408 0.322 17967 1998 1 6 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.961 0.569 17967 1999 1 6 . 1 1 14 14 LEU H H 12 10.210 10.210 9.157 1.053 17967 2000 1 6 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.267 -0.047 17967 2001 1 6 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.415 1.815 17967 2002 1 6 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.166 -0.436 17967 2003 1 6 . 1 1 16 16 GLN N N 14 117.810 117.810 118.088 -0.278 17967 2004 1 6 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.133 0.057 17967 2005 1 6 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.953 0.077 17967 2006 1 6 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.361 0.268 17967 2007 1 6 . 1 1 16 16 GLN H H 14 7.110 7.110 8.333 -1.223 17967 2008 1 6 . 1 1 17 17 LEU N N 15 124.710 124.710 121.660 3.050 17967 2009 1 6 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.177 -0.167 17967 2010 1 6 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.660 0.670 17967 2011 1 6 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.699 0.331 17967 2012 1 6 . 1 1 17 17 LEU H H 15 8.010 8.010 7.971 0.039 17967 2013 1 6 . 1 1 18 18 CYS N N 16 117.210 117.210 117.251 -0.041 17967 2014 1 6 . 1 1 18 18 CYS HA H 16 3.750 3.750 4.005 -0.255 17967 2015 1 6 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.879 0.851 17967 2016 1 6 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.990 0.240 17967 2017 1 6 . 1 1 18 18 CYS H H 16 8.380 8.380 8.287 0.093 17967 2018 1 6 . 1 1 19 19 THR N N 17 117.810 117.810 115.618 2.192 17967 2019 1 6 . 1 1 19 19 THR HA H 17 4.000 4.000 3.979 0.021 17967 2020 1 6 . 1 1 19 19 THR CA C 17 66.830 66.830 66.853 -0.023 17967 2021 1 6 . 1 1 19 19 THR CB C 17 68.830 68.830 68.605 0.225 17967 2022 1 6 . 1 1 19 19 THR H H 17 7.720 7.720 7.665 0.055 17967 2023 1 6 . 1 1 20 20 GLU N N 18 125.410 125.410 121.088 4.322 17967 2024 1 6 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.226 -0.156 17967 2025 1 6 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.563 1.167 17967 2026 1 6 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.466 0.264 17967 2027 1 6 . 1 1 20 20 GLU H H 18 8.010 8.010 7.735 0.275 17967 2028 1 6 . 1 1 21 21 LEU N N 19 118.810 118.810 117.190 1.620 17967 2029 1 6 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.372 -0.072 17967 2030 1 6 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.347 -0.517 17967 2031 1 6 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.871 0.459 17967 2032 1 6 . 1 1 21 21 LEU H H 19 8.010 8.010 7.965 0.045 17967 2033 1 6 . 1 1 22 22 GLN N N 20 118.310 118.310 115.516 2.794 17967 2034 1 6 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.042 -0.092 17967 2035 1 6 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.103 -0.373 17967 2036 1 6 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.362 -0.232 17967 2037 1 6 . 1 1 22 22 GLN H H 20 7.860 7.860 7.781 0.079 17967 2038 1 6 . 1 1 23 23 THR N N 21 115.910 115.910 111.642 4.268 17967 2039 1 6 . 1 1 23 23 THR HA H 21 4.950 4.950 4.617 0.333 17967 2040 1 6 . 1 1 23 23 THR CA C 21 58.530 58.530 59.634 -1.104 17967 2041 1 6 . 1 1 23 23 THR CB C 21 70.330 70.330 70.208 0.122 17967 2042 1 6 . 1 1 23 23 THR H H 21 8.250 8.250 8.181 0.069 17967 2043 1 6 . 1 1 24 24 THR N N 22 112.810 112.810 114.041 -1.231 17967 2044 1 6 . 1 1 24 24 THR HA H 22 4.880 4.880 4.594 0.286 17967 2045 1 6 . 1 1 24 24 THR CA C 22 59.730 59.730 60.401 -0.671 17967 2046 1 6 . 1 1 24 24 THR CB C 22 74.130 74.130 71.089 3.041 17967 2047 1 6 . 1 1 24 24 THR H H 22 8.660 8.660 7.897 0.763 17967 2048 1 6 . 1 1 25 25 ILE N N 23 123.710 123.710 121.855 1.855 17967 2049 1 6 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.682 0.098 17967 2050 1 6 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.434 -1.004 17967 2051 1 6 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.710 0.920 17967 2052 1 6 . 1 1 25 25 ILE H H 23 9.060 9.060 8.367 0.693 17967 2053 1 6 . 1 1 26 26 HIS N N 24 119.510 119.510 114.856 4.654 17967 2054 1 6 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.825 -0.385 17967 2055 1 6 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.721 1.308 17967 2056 1 6 . 1 1 26 26 HIS CB C 24 30.830 30.830 28.518 2.312 17967 2057 1 6 . 1 1 26 26 HIS H H 24 7.040 7.040 7.676 -0.636 17967 2058 1 6 . 1 1 27 27 ASP N N 25 116.810 116.810 117.895 -1.085 17967 2059 1 6 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.590 0.170 17967 2060 1 6 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.383 0.047 17967 2061 1 6 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.375 0.955 17967 2062 1 6 . 1 1 27 27 ASP H H 25 7.250 7.250 7.618 -0.368 17967 2063 1 6 . 1 1 28 28 ILE N N 26 123.210 123.210 122.034 1.176 17967 2064 1 6 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.891 0.039 17967 2065 1 6 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.837 0.194 17967 2066 1 6 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.658 -0.728 17967 2067 1 6 . 1 1 28 28 ILE H H 26 7.750 7.750 8.129 -0.379 17967 2068 1 6 . 1 1 29 29 ILE N N 27 131.110 131.110 129.501 1.609 17967 2069 1 6 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.129 0.251 17967 2070 1 6 . 1 1 29 29 ILE CA C 27 58.830 58.830 60.195 -1.365 17967 2071 1 6 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.470 1.160 17967 2072 1 6 . 1 1 29 29 ILE H H 27 8.270 8.270 8.497 -0.227 17967 2073 1 6 . 1 1 30 30 LEU N N 28 129.410 129.410 129.599 -0.189 17967 2074 1 6 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.747 -0.087 17967 2075 1 6 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.368 -0.838 17967 2076 1 6 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.551 2.779 17967 2077 1 6 . 1 1 30 30 LEU H H 28 8.500 8.500 8.360 0.140 17967 2078 1 6 . 1 1 31 31 GLU N N 29 121.910 121.910 121.998 -0.088 17967 2079 1 6 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.652 0.028 17967 2080 1 6 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.165 0.765 17967 2081 1 6 . 1 1 31 31 GLU CB C 29 33.030 33.030 31.919 1.111 17967 2082 1 6 . 1 1 31 31 GLU H H 29 8.860 8.860 8.265 0.595 17967 2083 1 6 . 1 1 32 32 CYS N N 30 125.710 125.710 119.609 6.101 17967 2084 1 6 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.770 -0.750 17967 2085 1 6 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.800 -1.570 17967 2086 1 6 . 1 1 32 32 CYS CB C 30 31.730 31.730 26.988 4.742 17967 2087 1 6 . 1 1 32 32 CYS H H 30 8.270 8.270 8.358 -0.088 17967 2088 1 6 . 1 1 33 33 VAL N N 31 132.310 132.310 128.096 4.214 17967 2089 1 6 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.144 -0.044 17967 2090 1 6 . 1 1 33 33 VAL CA C 31 64.230 64.230 64.835 -0.605 17967 2091 1 6 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.932 -0.302 17967 2092 1 6 . 1 1 33 33 VAL H H 31 8.860 8.860 8.045 0.815 17967 2093 1 6 . 1 1 34 34 TYR N N 32 124.310 124.310 114.788 9.522 17967 2094 1 6 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.515 -0.075 17967 2095 1 6 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.045 1.985 17967 2096 1 6 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.567 1.563 17967 2097 1 6 . 1 1 34 34 TYR H H 32 8.590 8.590 7.145 1.445 17967 2098 1 6 . 1 1 35 35 CYS N N 33 119.810 119.810 115.711 4.099 17967 2099 1 6 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.608 0.232 17967 2100 1 6 . 1 1 35 35 CYS CA C 33 59.430 59.430 58.787 0.643 17967 2101 1 6 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.305 3.925 17967 2102 1 6 . 1 1 35 35 CYS H H 33 8.070 8.070 7.723 0.347 17967 2103 1 6 . 1 1 36 36 LYS N N 34 119.910 119.910 114.957 4.953 17967 2104 1 6 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.874 0.316 17967 2105 1 6 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.420 0.410 17967 2106 1 6 . 1 1 36 36 LYS CB C 34 29.330 29.330 30.441 -1.111 17967 2107 1 6 . 1 1 36 36 LYS H H 34 7.860 7.860 8.068 -0.208 17967 2108 1 6 . 1 1 37 37 GLN N N 35 120.710 120.710 116.317 4.393 17967 2109 1 6 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.369 -0.009 17967 2110 1 6 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.620 0.810 17967 2111 1 6 . 1 1 37 37 GLN CB C 35 29.630 29.630 29.264 0.366 17967 2112 1 6 . 1 1 37 37 GLN H H 35 8.270 8.270 7.748 0.522 17967 2113 1 6 . 1 1 38 38 GLN N N 36 123.710 123.710 121.665 2.045 17967 2114 1 6 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.215 0.085 17967 2115 1 6 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.706 0.024 17967 2116 1 6 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.959 0.371 17967 2117 1 6 . 1 1 38 38 GLN H H 36 8.640 8.640 8.468 0.172 17967 2118 1 6 . 1 1 39 39 LEU N N 37 131.310 131.310 125.838 5.472 17967 2119 1 6 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.174 -0.064 17967 2120 1 6 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.153 2.177 17967 2121 1 6 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.565 -0.635 17967 2122 1 6 . 1 1 39 39 LEU H H 37 8.870 8.870 7.768 1.102 17967 2123 1 6 . 1 1 40 40 LEU N N 38 126.310 126.310 123.174 3.136 17967 2124 1 6 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.272 0.038 17967 2125 1 6 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.844 -0.615 17967 2126 1 6 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.026 0.104 17967 2127 1 6 . 1 1 40 40 LEU H H 38 9.850 9.850 8.267 1.583 17967 2128 1 6 . 1 1 41 41 ARG N N 39 127.110 127.110 126.092 1.018 17967 2129 1 6 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.748 -0.228 17967 2130 1 6 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.248 -1.418 17967 2131 1 6 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.086 -2.156 17967 2132 1 6 . 1 1 41 41 ARG H H 39 8.970 8.970 8.908 0.062 17967 2133 1 6 . 1 1 42 42 ARG N N 40 115.810 115.810 117.585 -1.775 17967 2134 1 6 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.268 -0.188 17967 2135 1 6 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.127 0.003 17967 2136 1 6 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.070 0.260 17967 2137 1 6 . 1 1 42 42 ARG H H 40 8.610 8.610 8.655 -0.045 17967 2138 1 6 . 1 1 43 43 GLU N N 41 119.910 119.910 119.021 0.889 17967 2139 1 6 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.380 -0.130 17967 2140 1 6 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.480 0.550 17967 2141 1 6 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.006 1.324 17967 2142 1 6 . 1 1 43 43 GLU H H 41 6.950 6.950 7.752 -0.802 17967 2143 1 6 . 1 1 44 44 VAL N N 42 125.010 125.010 119.953 5.057 17967 2144 1 6 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.525 -0.285 17967 2145 1 6 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.153 1.477 17967 2146 1 6 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.450 -0.120 17967 2147 1 6 . 1 1 44 44 VAL H H 42 7.820 7.820 7.872 -0.052 17967 2148 1 6 . 1 1 45 45 TYR N N 43 118.410 118.410 118.680 -0.270 17967 2149 1 6 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.174 0.256 17967 2150 1 6 . 1 1 45 45 TYR CA C 43 58.830 58.830 60.131 -1.301 17967 2151 1 6 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.311 -0.581 17967 2152 1 6 . 1 1 45 45 TYR H H 43 7.820 7.820 7.844 -0.024 17967 2153 1 6 . 1 1 46 46 ASP N N 44 122.410 122.410 119.942 2.468 17967 2154 1 6 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.346 0.254 17967 2155 1 6 . 1 1 46 46 ASP CA C 44 57.830 57.830 58.397 -0.567 17967 2156 1 6 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.536 0.494 17967 2157 1 6 . 1 1 46 46 ASP H H 44 8.540 8.540 8.083 0.457 17967 2158 1 6 . 1 1 47 47 PHE N N 45 126.210 126.210 119.083 7.127 17967 2159 1 6 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.082 -0.172 17967 2160 1 6 . 1 1 47 47 PHE CA C 45 62.630 62.630 62.022 0.608 17967 2161 1 6 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.036 0.294 17967 2162 1 6 . 1 1 47 47 PHE H H 45 8.320 8.320 7.572 0.748 17967 2163 1 6 . 1 1 48 48 ALA N N 46 119.110 119.110 120.062 -0.952 17967 2164 1 6 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.359 0.161 17967 2165 1 6 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.739 0.491 17967 2166 1 6 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.826 -0.096 17967 2167 1 6 . 1 1 48 48 ALA H H 46 7.740 7.740 7.708 0.032 17967 2168 1 6 . 1 1 49 49 ARG N N 47 124.010 124.010 117.854 6.156 17967 2169 1 6 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.282 -0.232 17967 2170 1 6 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.478 2.152 17967 2171 1 6 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.518 -0.088 17967 2172 1 6 . 1 1 49 49 ARG H H 47 8.500 8.500 8.197 0.303 17967 2173 1 6 . 1 1 50 50 ARG N N 48 119.110 119.110 118.003 1.107 17967 2174 1 6 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.494 -0.484 17967 2175 1 6 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.756 2.374 17967 2176 1 6 . 1 1 50 50 ARG CB C 48 31.130 31.130 31.761 -0.631 17967 2177 1 6 . 1 1 50 50 ARG H H 48 7.940 7.940 7.820 0.120 17967 2178 1 6 . 1 1 51 51 ASP N N 49 120.910 120.910 120.359 0.551 17967 2179 1 6 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.716 -0.296 17967 2180 1 6 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.761 0.769 17967 2181 1 6 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.727 -0.798 17967 2182 1 6 . 1 1 51 51 ASP H H 49 7.950 7.950 8.489 -0.539 17967 2183 1 6 . 1 1 52 52 LEU N N 50 118.410 118.410 123.316 -4.906 17967 2184 1 6 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.502 -0.352 17967 2185 1 6 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.405 0.825 17967 2186 1 6 . 1 1 52 52 LEU CB C 50 41.130 41.130 43.349 -2.219 17967 2187 1 6 . 1 1 52 52 LEU H H 50 6.640 6.640 7.433 -0.793 17967 2188 1 6 . 1 1 53 53 CYS N N 51 117.410 117.410 118.552 -1.142 17967 2189 1 6 . 1 1 53 53 CYS HA H 51 4.930 4.930 4.941 -0.011 17967 2190 1 6 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.136 2.794 17967 2191 1 6 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.138 -1.508 17967 2192 1 6 . 1 1 53 53 CYS H H 51 8.030 8.030 8.123 -0.093 17967 2193 1 6 . 1 1 54 54 ILE N N 52 125.110 125.110 122.737 2.373 17967 2194 1 6 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.316 -0.306 17967 2195 1 6 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.791 -2.161 17967 2196 1 6 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.749 -1.419 17967 2197 1 6 . 1 1 54 54 ILE H H 52 8.500 8.500 8.646 -0.146 17967 2198 1 6 . 1 1 55 55 VAL N N 53 127.010 127.010 123.239 3.771 17967 2199 1 6 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.604 -0.234 17967 2200 1 6 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.705 -0.075 17967 2201 1 6 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.924 1.306 17967 2202 1 6 . 1 1 55 55 VAL H H 53 8.130 8.130 8.233 -0.103 17967 2203 1 6 . 1 1 56 56 TYR N N 54 124.910 124.910 126.206 -1.296 17967 2204 1 6 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.227 0.173 17967 2205 1 6 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.480 -0.150 17967 2206 1 6 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.580 1.450 17967 2207 1 6 . 1 1 56 56 TYR H H 54 8.700 8.700 8.739 -0.039 17967 2208 1 6 . 1 1 57 57 ARG N N 55 123.810 123.810 125.228 -1.418 17967 2209 1 6 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.419 0.221 17967 2210 1 6 . 1 1 57 57 ARG CA C 55 55.430 55.430 56.136 -0.706 17967 2211 1 6 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.289 2.541 17967 2212 1 6 . 1 1 57 57 ARG H H 55 8.870 8.870 8.432 0.438 17967 2213 1 6 . 1 1 58 58 ASP N N 56 129.110 129.110 124.647 4.463 17967 2214 1 6 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.353 -0.043 17967 2215 1 6 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.969 -1.139 17967 2216 1 6 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.044 0.086 17967 2217 1 6 . 1 1 58 58 ASP H H 56 9.620 9.620 9.016 0.604 17967 2218 1 6 . 1 1 59 59 GLY N N 57 104.510 104.510 108.756 -4.246 17967 2219 1 6 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.187 0.443 17967 2220 1 6 . 1 1 59 59 GLY H H 57 8.720 8.720 8.394 0.326 17967 2221 1 6 . 1 1 60 60 ASN N N 58 122.210 122.210 119.372 2.838 17967 2222 1 6 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.210 0.190 17967 2223 1 6 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.905 -0.575 17967 2224 1 6 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.767 -0.337 17967 2225 1 6 . 1 1 60 60 ASN H H 58 8.120 8.120 7.885 0.235 17967 2226 1 6 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.599 0.191 17967 2227 1 6 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.328 -0.298 17967 2228 1 6 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.345 2.185 17967 2229 1 6 . 1 1 62 62 TYR N N 60 119.810 119.810 121.667 -1.857 17967 2230 1 6 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.461 -0.101 17967 2231 1 6 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.515 1.715 17967 2232 1 6 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.415 1.015 17967 2233 1 6 . 1 1 62 62 TYR H H 60 8.590 8.590 7.616 0.974 17967 2234 1 6 . 1 1 63 63 ALA N N 61 123.810 123.810 121.342 2.468 17967 2235 1 6 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.143 0.277 17967 2236 1 6 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.218 0.112 17967 2237 1 6 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.717 -0.387 17967 2238 1 6 . 1 1 63 63 ALA H H 61 8.010 8.010 8.803 -0.793 17967 2239 1 6 . 1 1 64 64 VAL N N 62 120.510 120.510 117.982 2.528 17967 2240 1 6 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.285 1.215 17967 2241 1 6 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.662 -0.432 17967 2242 1 6 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.051 3.279 17967 2243 1 6 . 1 1 64 64 VAL H H 62 6.380 6.380 8.373 -1.993 17967 2244 1 6 . 1 1 65 65 CYS N N 63 130.310 130.310 126.111 4.199 17967 2245 1 6 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.398 0.162 17967 2246 1 6 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.504 -0.074 17967 2247 1 6 . 1 1 65 65 CYS CB C 63 31.130 31.130 28.969 2.161 17967 2248 1 6 . 1 1 65 65 CYS H H 63 9.430 9.430 8.250 1.180 17967 2249 1 6 . 1 1 66 66 ASP N N 64 121.110 121.110 121.504 -0.394 17967 2250 1 6 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.392 0.018 17967 2251 1 6 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.415 -0.185 17967 2252 1 6 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.828 1.502 17967 2253 1 6 . 1 1 66 66 ASP H H 64 9.120 9.120 8.683 0.437 17967 2254 1 6 . 1 1 67 67 LYS N N 65 122.110 122.110 119.040 3.070 17967 2255 1 6 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.789 0.221 17967 2256 1 6 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.656 1.474 17967 2257 1 6 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.332 0.498 17967 2258 1 6 . 1 1 67 67 LYS H H 65 8.330 8.330 7.673 0.657 17967 2259 1 6 . 1 1 68 68 CYS N N 66 125.610 125.610 118.807 6.803 17967 2260 1 6 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.270 -0.160 17967 2261 1 6 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.207 1.323 17967 2262 1 6 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.375 4.355 17967 2263 1 6 . 1 1 68 68 CYS H H 66 8.700 8.700 7.485 1.215 17967 2264 1 6 . 1 1 69 69 LEU N N 67 125.310 125.310 122.198 3.112 17967 2265 1 6 . 1 1 69 69 LEU HA H 67 4.000 4.000 3.956 0.044 17967 2266 1 6 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.955 -0.425 17967 2267 1 6 . 1 1 69 69 LEU CB C 67 42.130 42.130 42.062 0.068 17967 2268 1 6 . 1 1 69 69 LEU H H 67 8.470 8.470 8.930 -0.460 17967 2269 1 6 . 1 1 70 70 LYS N N 68 119.010 119.010 118.907 0.103 17967 2270 1 6 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.011 -0.031 17967 2271 1 6 . 1 1 70 70 LYS CA C 68 58.830 58.830 59.141 -0.311 17967 2272 1 6 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.668 0.462 17967 2273 1 6 . 1 1 70 70 LYS H H 68 7.810 7.810 7.444 0.366 17967 2274 1 6 . 1 1 71 71 PHE N N 69 121.710 121.710 118.094 3.616 17967 2275 1 6 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.211 0.069 17967 2276 1 6 . 1 1 71 71 PHE CA C 69 59.930 59.930 58.775 1.155 17967 2277 1 6 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.063 1.367 17967 2278 1 6 . 1 1 71 71 PHE H H 69 7.810 7.810 6.969 0.841 17967 2279 1 6 . 1 1 72 72 TYR N N 70 120.110 120.110 117.703 2.407 17967 2280 1 6 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.517 -0.197 17967 2281 1 6 . 1 1 72 72 TYR CA C 70 60.330 60.330 59.428 0.902 17967 2282 1 6 . 1 1 72 72 TYR CB C 70 40.430 40.430 37.445 2.985 17967 2283 1 6 . 1 1 72 72 TYR H H 70 8.280 8.280 8.817 -0.537 17967 2284 1 6 . 1 1 73 73 SER N N 71 117.210 117.210 115.858 1.352 17967 2285 1 6 . 1 1 73 73 SER HA H 71 4.320 4.320 4.355 -0.035 17967 2286 1 6 . 1 1 73 73 SER CA C 71 60.130 60.130 61.570 -1.440 17967 2287 1 6 . 1 1 73 73 SER CB C 71 63.630 63.630 62.895 0.735 17967 2288 1 6 . 1 1 73 73 SER H H 71 7.870 7.870 8.385 -0.515 17967 2289 1 6 . 1 1 74 74 LYS N N 72 122.810 122.810 121.770 1.040 17967 2290 1 6 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.321 -0.051 17967 2291 1 6 . 1 1 74 74 LYS CA C 72 56.930 56.930 58.205 -1.275 17967 2292 1 6 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.806 -0.176 17967 2293 1 6 . 1 1 74 74 LYS H H 72 7.800 7.800 7.409 0.391 17967 2294 1 6 . 1 1 75 75 ILE N N 73 121.610 121.610 120.240 1.370 17967 2295 1 6 . 1 1 75 75 ILE HA H 73 4.110 4.110 3.796 0.314 17967 2296 1 6 . 1 1 75 75 ILE CA C 73 61.830 61.830 64.280 -2.450 17967 2297 1 6 . 1 1 75 75 ILE CB C 73 38.630 38.630 37.846 0.784 17967 2298 1 6 . 1 1 75 75 ILE H H 73 7.750 7.750 8.491 -0.741 17967 2299 1 6 . 1 1 76 76 SER N N 74 120.410 120.410 115.446 4.964 17967 2300 1 6 . 1 1 76 76 SER HA H 74 4.300 4.300 4.362 -0.062 17967 2301 1 6 . 1 1 76 76 SER CA C 74 59.330 59.330 61.179 -1.849 17967 2302 1 6 . 1 1 76 76 SER CB C 74 63.830 63.830 63.376 0.454 17967 2303 1 6 . 1 1 76 76 SER H H 74 8.130 8.130 8.009 0.121 17967 2304 1 6 . 1 1 77 77 GLU N N 75 123.810 123.810 120.685 3.125 17967 2305 1 6 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.332 -0.142 17967 2306 1 6 . 1 1 77 77 GLU CA C 75 57.330 57.330 56.841 0.489 17967 2307 1 6 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.591 -0.461 17967 2308 1 6 . 1 1 77 77 GLU H H 75 8.270 8.270 7.639 0.631 17967 2309 1 6 . 1 1 78 78 TYR N N 76 122.410 122.410 119.275 3.135 17967 2310 1 6 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.277 0.183 17967 2311 1 6 . 1 1 78 78 TYR CA C 76 58.130 58.130 59.028 -0.897 17967 2312 1 6 . 1 1 78 78 TYR CB C 76 38.630 38.630 36.896 1.734 17967 2313 1 6 . 1 1 78 78 TYR H H 76 7.980 7.980 8.289 -0.309 17967 2314 1 6 . 1 1 79 79 ARG N N 77 124.710 124.710 126.291 -1.581 17967 2315 1 6 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.795 -0.595 17967 2316 1 6 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.612 0.418 17967 2317 1 6 . 1 1 79 79 ARG CB C 77 31.030 31.030 31.177 -0.147 17967 2318 1 6 . 1 1 79 79 ARG H H 77 7.880 7.880 8.717 -0.837 17967 2319 1 6 . 1 1 80 80 HIS N N 78 122.110 122.110 121.016 1.094 17967 2320 1 6 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.919 -0.409 17967 2321 1 6 . 1 1 80 80 HIS CA C 78 56.330 56.330 54.646 1.684 17967 2322 1 6 . 1 1 80 80 HIS CB C 78 30.830 30.830 28.950 1.880 17967 2323 1 6 . 1 1 80 80 HIS H H 78 8.120 8.120 8.654 -0.534 17967 2324 1 6 . 1 1 81 81 TYR N N 79 123.610 123.610 124.894 -1.284 17967 2325 1 6 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.596 -0.006 17967 2326 1 6 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.731 0.099 17967 2327 1 6 . 1 1 81 81 TYR CB C 79 39.130 39.130 38.982 0.148 17967 2328 1 6 . 1 1 81 81 TYR H H 79 7.970 7.970 8.642 -0.672 17967 2329 1 7 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.477 -0.187 17967 2330 1 7 . 1 1 2 2 ALA CA C 0 52.530 52.530 52.648 -0.118 17967 2331 1 7 . 1 1 2 2 ALA CB C 0 19.730 19.730 19.385 0.345 17967 2332 1 7 . 1 1 3 3 MET N N 1 122.210 122.210 115.415 6.795 17967 2333 1 7 . 1 1 3 3 MET HA H 1 4.300 4.300 4.632 -0.332 17967 2334 1 7 . 1 1 3 3 MET CA C 1 56.030 56.030 53.425 2.605 17967 2335 1 7 . 1 1 3 3 MET CB C 1 33.430 33.430 31.412 2.018 17967 2336 1 7 . 1 1 3 3 MET H H 1 8.370 8.370 7.625 0.745 17967 2337 1 7 . 1 1 4 4 PHE N N 2 122.310 122.310 124.145 -1.835 17967 2338 1 7 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.357 0.273 17967 2339 1 7 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.408 -1.078 17967 2340 1 7 . 1 1 4 4 PHE CB C 2 39.430 39.430 39.589 -0.159 17967 2341 1 7 . 1 1 4 4 PHE H H 2 8.370 8.370 7.894 0.476 17967 2342 1 7 . 1 1 5 5 GLN N N 3 123.510 123.510 122.779 0.731 17967 2343 1 7 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.422 -0.242 17967 2344 1 7 . 1 1 5 5 GLN CA C 3 56.130 56.130 54.767 1.363 17967 2345 1 7 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.535 0.395 17967 2346 1 7 . 1 1 5 5 GLN H H 3 8.260 8.260 8.009 0.251 17967 2347 1 7 . 1 1 6 6 ASP N N 4 125.010 125.010 121.102 3.908 17967 2348 1 7 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.837 -0.047 17967 2349 1 7 . 1 1 6 6 ASP CA C 4 51.930 51.930 52.172 -0.242 17967 2350 1 7 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.505 0.225 17967 2351 1 7 . 1 1 6 6 ASP H H 4 8.420 8.420 8.409 0.011 17967 2352 1 7 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.489 -0.369 17967 2353 1 7 . 1 1 7 7 PRO CA C 5 64.030 64.030 63.495 0.535 17967 2354 1 7 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.029 0.301 17967 2355 1 7 . 1 1 8 8 GLN N N 6 119.710 119.710 114.271 5.439 17967 2356 1 7 . 1 1 8 8 GLN HA H 6 4.160 4.160 3.941 0.219 17967 2357 1 7 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.947 -0.317 17967 2358 1 7 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.044 2.286 17967 2359 1 7 . 1 1 8 8 GLN H H 6 8.430 8.430 8.573 -0.143 17967 2360 1 7 . 1 1 9 9 GLU N N 7 122.110 122.110 117.309 4.801 17967 2361 1 7 . 1 1 9 9 GLU HA H 7 4.200 4.200 3.732 0.468 17967 2362 1 7 . 1 1 9 9 GLU CA C 7 56.030 56.030 58.479 -2.449 17967 2363 1 7 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.465 1.065 17967 2364 1 7 . 1 1 9 9 GLU H H 7 7.940 7.940 8.658 -0.718 17967 2365 1 7 . 1 1 10 10 ARG N N 8 123.410 123.410 117.192 6.218 17967 2366 1 7 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.240 0.160 17967 2367 1 7 . 1 1 10 10 ARG CA C 8 54.130 54.130 56.105 -1.975 17967 2368 1 7 . 1 1 10 10 ARG CB C 8 29.330 29.330 29.453 -0.122 17967 2369 1 7 . 1 1 10 10 ARG H H 8 7.660 7.660 8.313 -0.653 17967 2370 1 7 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.623 -0.273 17967 2371 1 7 . 1 1 11 11 PRO CA C 9 63.530 63.530 61.517 2.013 17967 2372 1 7 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.748 -0.118 17967 2373 1 7 . 1 1 12 12 ARG N N 10 123.810 123.810 117.823 5.987 17967 2374 1 7 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.768 -0.098 17967 2375 1 7 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.556 1.274 17967 2376 1 7 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.172 1.359 17967 2377 1 7 . 1 1 12 12 ARG H H 10 8.710 8.710 8.693 0.017 17967 2378 1 7 . 1 1 13 13 LYS N N 11 118.410 118.410 118.970 -0.560 17967 2379 1 7 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.775 0.275 17967 2380 1 7 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.164 -0.834 17967 2381 1 7 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.040 1.390 17967 2382 1 7 . 1 1 13 13 LYS H H 11 7.800 7.800 7.430 0.370 17967 2383 1 7 . 1 1 14 14 LEU N N 12 125.010 125.010 126.178 -1.168 17967 2384 1 7 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.157 0.013 17967 2385 1 7 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.523 0.207 17967 2386 1 7 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.980 0.550 17967 2387 1 7 . 1 1 14 14 LEU H H 12 10.210 10.210 9.283 0.927 17967 2388 1 7 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.276 -0.056 17967 2389 1 7 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.624 1.606 17967 2390 1 7 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.084 -0.353 17967 2391 1 7 . 1 1 16 16 GLN N N 14 117.810 117.810 116.757 1.053 17967 2392 1 7 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.141 0.049 17967 2393 1 7 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.676 0.354 17967 2394 1 7 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.215 0.415 17967 2395 1 7 . 1 1 16 16 GLN H H 14 7.110 7.110 8.416 -1.306 17967 2396 1 7 . 1 1 17 17 LEU N N 15 124.710 124.710 122.067 2.643 17967 2397 1 7 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.185 -0.175 17967 2398 1 7 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.545 0.785 17967 2399 1 7 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.754 0.276 17967 2400 1 7 . 1 1 17 17 LEU H H 15 8.010 8.010 7.761 0.249 17967 2401 1 7 . 1 1 18 18 CYS N N 16 117.210 117.210 117.155 0.055 17967 2402 1 7 . 1 1 18 18 CYS HA H 16 3.750 3.750 4.021 -0.271 17967 2403 1 7 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.723 1.007 17967 2404 1 7 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.924 0.306 17967 2405 1 7 . 1 1 18 18 CYS H H 16 8.380 8.380 8.293 0.087 17967 2406 1 7 . 1 1 19 19 THR N N 17 117.810 117.810 115.562 2.248 17967 2407 1 7 . 1 1 19 19 THR HA H 17 4.000 4.000 4.014 -0.014 17967 2408 1 7 . 1 1 19 19 THR CA C 17 66.830 66.830 67.157 -0.327 17967 2409 1 7 . 1 1 19 19 THR CB C 17 68.830 68.830 68.517 0.313 17967 2410 1 7 . 1 1 19 19 THR H H 17 7.720 7.720 7.664 0.056 17967 2411 1 7 . 1 1 20 20 GLU N N 18 125.410 125.410 120.504 4.906 17967 2412 1 7 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.184 -0.114 17967 2413 1 7 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.746 0.984 17967 2414 1 7 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.344 0.386 17967 2415 1 7 . 1 1 20 20 GLU H H 18 8.010 8.010 7.776 0.234 17967 2416 1 7 . 1 1 21 21 LEU N N 19 118.810 118.810 118.308 0.502 17967 2417 1 7 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.205 0.095 17967 2418 1 7 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.916 -1.086 17967 2419 1 7 . 1 1 21 21 LEU CB C 19 42.330 42.330 42.096 0.234 17967 2420 1 7 . 1 1 21 21 LEU H H 19 8.010 8.010 7.859 0.151 17967 2421 1 7 . 1 1 22 22 GLN N N 20 118.310 118.310 115.430 2.880 17967 2422 1 7 . 1 1 22 22 GLN HA H 20 3.950 3.950 3.958 -0.008 17967 2423 1 7 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.334 -0.604 17967 2424 1 7 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.402 -0.272 17967 2425 1 7 . 1 1 22 22 GLN H H 20 7.860 7.860 7.673 0.187 17967 2426 1 7 . 1 1 23 23 THR N N 21 115.910 115.910 112.475 3.435 17967 2427 1 7 . 1 1 23 23 THR HA H 21 4.950 4.950 4.634 0.316 17967 2428 1 7 . 1 1 23 23 THR CA C 21 58.530 58.530 60.121 -1.591 17967 2429 1 7 . 1 1 23 23 THR CB C 21 70.330 70.330 70.648 -0.318 17967 2430 1 7 . 1 1 23 23 THR H H 21 8.250 8.250 8.368 -0.118 17967 2431 1 7 . 1 1 24 24 THR N N 22 112.810 112.810 113.981 -1.171 17967 2432 1 7 . 1 1 24 24 THR HA H 22 4.880 4.880 4.659 0.221 17967 2433 1 7 . 1 1 24 24 THR CA C 22 59.730 59.730 59.676 0.054 17967 2434 1 7 . 1 1 24 24 THR CB C 22 74.130 74.130 71.412 2.718 17967 2435 1 7 . 1 1 24 24 THR H H 22 8.660 8.660 7.847 0.813 17967 2436 1 7 . 1 1 25 25 ILE N N 23 123.710 123.710 119.657 4.053 17967 2437 1 7 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.643 0.137 17967 2438 1 7 . 1 1 25 25 ILE CA C 23 63.430 63.430 63.850 -0.420 17967 2439 1 7 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.756 0.874 17967 2440 1 7 . 1 1 25 25 ILE H H 23 9.060 9.060 8.247 0.813 17967 2441 1 7 . 1 1 26 26 HIS N N 24 119.510 119.510 113.624 5.886 17967 2442 1 7 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.657 -0.217 17967 2443 1 7 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.928 1.102 17967 2444 1 7 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.328 1.502 17967 2445 1 7 . 1 1 26 26 HIS H H 24 7.040 7.040 7.431 -0.391 17967 2446 1 7 . 1 1 27 27 ASP N N 25 116.810 116.810 118.002 -1.192 17967 2447 1 7 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.612 0.148 17967 2448 1 7 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.144 0.286 17967 2449 1 7 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.002 1.328 17967 2450 1 7 . 1 1 27 27 ASP H H 25 7.250 7.250 7.475 -0.225 17967 2451 1 7 . 1 1 28 28 ILE N N 26 123.210 123.210 122.030 1.180 17967 2452 1 7 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.896 0.034 17967 2453 1 7 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.645 0.384 17967 2454 1 7 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.556 -0.626 17967 2455 1 7 . 1 1 28 28 ILE H H 26 7.750 7.750 7.947 -0.197 17967 2456 1 7 . 1 1 29 29 ILE N N 27 131.110 131.110 129.852 1.258 17967 2457 1 7 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.178 0.202 17967 2458 1 7 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.654 -0.824 17967 2459 1 7 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.444 1.187 17967 2460 1 7 . 1 1 29 29 ILE H H 27 8.270 8.270 8.458 -0.188 17967 2461 1 7 . 1 1 30 30 LEU N N 28 129.410 129.410 129.117 0.293 17967 2462 1 7 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.546 0.114 17967 2463 1 7 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.274 -0.744 17967 2464 1 7 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.022 3.308 17967 2465 1 7 . 1 1 30 30 LEU H H 28 8.500 8.500 8.257 0.243 17967 2466 1 7 . 1 1 31 31 GLU N N 29 121.910 121.910 120.979 0.931 17967 2467 1 7 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.736 -0.056 17967 2468 1 7 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.287 0.643 17967 2469 1 7 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.510 0.520 17967 2470 1 7 . 1 1 31 31 GLU H H 29 8.860 8.860 8.139 0.721 17967 2471 1 7 . 1 1 32 32 CYS N N 30 125.710 125.710 120.389 5.321 17967 2472 1 7 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.954 -0.934 17967 2473 1 7 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.486 -1.256 17967 2474 1 7 . 1 1 32 32 CYS CB C 30 31.730 31.730 27.069 4.661 17967 2475 1 7 . 1 1 32 32 CYS H H 30 8.270 8.270 8.554 -0.284 17967 2476 1 7 . 1 1 33 33 VAL N N 31 132.310 132.310 128.400 3.910 17967 2477 1 7 . 1 1 33 33 VAL HA H 31 3.100 3.100 2.659 0.441 17967 2478 1 7 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.221 -0.991 17967 2479 1 7 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.810 -0.180 17967 2480 1 7 . 1 1 33 33 VAL H H 31 8.860 8.860 7.840 1.020 17967 2481 1 7 . 1 1 34 34 TYR N N 32 124.310 124.310 117.116 7.194 17967 2482 1 7 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.567 -0.127 17967 2483 1 7 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.241 0.789 17967 2484 1 7 . 1 1 34 34 TYR CB C 32 40.130 40.130 37.712 2.418 17967 2485 1 7 . 1 1 34 34 TYR H H 32 8.590 8.590 7.395 1.195 17967 2486 1 7 . 1 1 35 35 CYS N N 33 119.810 119.810 116.242 3.568 17967 2487 1 7 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.541 0.299 17967 2488 1 7 . 1 1 35 35 CYS CA C 33 59.430 59.430 59.515 -0.085 17967 2489 1 7 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.642 3.588 17967 2490 1 7 . 1 1 35 35 CYS H H 33 8.070 8.070 7.659 0.411 17967 2491 1 7 . 1 1 36 36 LYS N N 34 119.910 119.910 114.887 5.023 17967 2492 1 7 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.891 0.299 17967 2493 1 7 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.304 0.526 17967 2494 1 7 . 1 1 36 36 LYS CB C 34 29.330 29.330 29.467 -0.137 17967 2495 1 7 . 1 1 36 36 LYS H H 34 7.860 7.860 7.905 -0.045 17967 2496 1 7 . 1 1 37 37 GLN N N 35 120.710 120.710 116.655 4.055 17967 2497 1 7 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.489 -0.129 17967 2498 1 7 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.541 0.889 17967 2499 1 7 . 1 1 37 37 GLN CB C 35 29.630 29.630 29.349 0.281 17967 2500 1 7 . 1 1 37 37 GLN H H 35 8.270 8.270 7.919 0.351 17967 2501 1 7 . 1 1 38 38 GLN N N 36 123.710 123.710 124.071 -0.361 17967 2502 1 7 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.243 0.057 17967 2503 1 7 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.395 0.335 17967 2504 1 7 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.953 0.377 17967 2505 1 7 . 1 1 38 38 GLN H H 36 8.640 8.640 8.576 0.064 17967 2506 1 7 . 1 1 39 39 LEU N N 37 131.310 131.310 125.754 5.556 17967 2507 1 7 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.132 -0.022 17967 2508 1 7 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.920 1.410 17967 2509 1 7 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.402 -0.472 17967 2510 1 7 . 1 1 39 39 LEU H H 37 8.870 8.870 8.070 0.800 17967 2511 1 7 . 1 1 40 40 LEU N N 38 126.310 126.310 124.242 2.068 17967 2512 1 7 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.402 -0.092 17967 2513 1 7 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.560 -0.330 17967 2514 1 7 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.476 -0.346 17967 2515 1 7 . 1 1 40 40 LEU H H 38 9.850 9.850 8.224 1.626 17967 2516 1 7 . 1 1 41 41 ARG N N 39 127.110 127.110 126.566 0.544 17967 2517 1 7 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.788 -0.268 17967 2518 1 7 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.390 -1.560 17967 2519 1 7 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.026 -2.096 17967 2520 1 7 . 1 1 41 41 ARG H H 39 8.970 8.970 8.837 0.133 17967 2521 1 7 . 1 1 42 42 ARG N N 40 115.810 115.810 119.715 -3.905 17967 2522 1 7 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.364 -0.284 17967 2523 1 7 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.948 -0.818 17967 2524 1 7 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.927 -0.598 17967 2525 1 7 . 1 1 42 42 ARG H H 40 8.610 8.610 8.758 -0.148 17967 2526 1 7 . 1 1 43 43 GLU N N 41 119.910 119.910 118.684 1.226 17967 2527 1 7 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.626 -0.376 17967 2528 1 7 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.190 0.840 17967 2529 1 7 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.222 1.108 17967 2530 1 7 . 1 1 43 43 GLU H H 41 6.950 6.950 8.010 -1.060 17967 2531 1 7 . 1 1 44 44 VAL N N 42 125.010 125.010 120.826 4.184 17967 2532 1 7 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.530 -0.290 17967 2533 1 7 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.433 1.197 17967 2534 1 7 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.537 -0.207 17967 2535 1 7 . 1 1 44 44 VAL H H 42 7.820 7.820 7.971 -0.151 17967 2536 1 7 . 1 1 45 45 TYR N N 43 118.410 118.410 118.623 -0.213 17967 2537 1 7 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.124 0.306 17967 2538 1 7 . 1 1 45 45 TYR CA C 43 58.830 58.830 61.366 -2.536 17967 2539 1 7 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.531 -0.801 17967 2540 1 7 . 1 1 45 45 TYR H H 43 7.820 7.820 8.510 -0.690 17967 2541 1 7 . 1 1 46 46 ASP N N 44 122.410 122.410 119.506 2.904 17967 2542 1 7 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.363 0.237 17967 2543 1 7 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.770 0.060 17967 2544 1 7 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.346 0.684 17967 2545 1 7 . 1 1 46 46 ASP H H 44 8.540 8.540 7.988 0.552 17967 2546 1 7 . 1 1 47 47 PHE N N 45 126.210 126.210 120.148 6.062 17967 2547 1 7 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.175 -0.265 17967 2548 1 7 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.871 0.759 17967 2549 1 7 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.139 0.191 17967 2550 1 7 . 1 1 47 47 PHE H H 45 8.320 8.320 7.807 0.513 17967 2551 1 7 . 1 1 48 48 ALA N N 46 119.110 119.110 119.646 -0.536 17967 2552 1 7 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.335 0.185 17967 2553 1 7 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.762 0.468 17967 2554 1 7 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.575 0.155 17967 2555 1 7 . 1 1 48 48 ALA H H 46 7.740 7.740 7.778 -0.038 17967 2556 1 7 . 1 1 49 49 ARG N N 47 124.010 124.010 118.617 5.393 17967 2557 1 7 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.255 -0.205 17967 2558 1 7 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.731 1.899 17967 2559 1 7 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.516 -0.086 17967 2560 1 7 . 1 1 49 49 ARG H H 47 8.500 8.500 8.514 -0.014 17967 2561 1 7 . 1 1 50 50 ARG N N 48 119.110 119.110 117.930 1.180 17967 2562 1 7 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.543 -0.533 17967 2563 1 7 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.891 2.239 17967 2564 1 7 . 1 1 50 50 ARG CB C 48 31.130 31.130 32.109 -0.979 17967 2565 1 7 . 1 1 50 50 ARG H H 48 7.940 7.940 7.874 0.066 17967 2566 1 7 . 1 1 51 51 ASP N N 49 120.910 120.910 120.332 0.578 17967 2567 1 7 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.749 -0.329 17967 2568 1 7 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.569 0.961 17967 2569 1 7 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.740 -0.810 17967 2570 1 7 . 1 1 51 51 ASP H H 49 7.950 7.950 8.281 -0.331 17967 2571 1 7 . 1 1 52 52 LEU N N 50 118.410 118.410 123.284 -4.874 17967 2572 1 7 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.476 -0.326 17967 2573 1 7 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.305 0.925 17967 2574 1 7 . 1 1 52 52 LEU CB C 50 41.130 41.130 43.050 -1.920 17967 2575 1 7 . 1 1 52 52 LEU H H 50 6.640 6.640 7.628 -0.988 17967 2576 1 7 . 1 1 53 53 CYS N N 51 117.410 117.410 117.632 -0.222 17967 2577 1 7 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.544 -0.614 17967 2578 1 7 . 1 1 53 53 CYS CA C 51 58.930 58.930 55.491 3.439 17967 2579 1 7 . 1 1 53 53 CYS CB C 51 28.630 28.630 29.493 -0.863 17967 2580 1 7 . 1 1 53 53 CYS H H 51 8.030 8.030 8.196 -0.166 17967 2581 1 7 . 1 1 54 54 ILE N N 52 125.110 125.110 123.254 1.856 17967 2582 1 7 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.291 -0.281 17967 2583 1 7 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.720 -2.090 17967 2584 1 7 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.809 -1.479 17967 2585 1 7 . 1 1 54 54 ILE H H 52 8.500 8.500 8.512 -0.012 17967 2586 1 7 . 1 1 55 55 VAL N N 53 127.010 127.010 124.099 2.911 17967 2587 1 7 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.552 -0.182 17967 2588 1 7 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.072 0.558 17967 2589 1 7 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.833 2.397 17967 2590 1 7 . 1 1 55 55 VAL H H 53 8.130 8.130 8.208 -0.078 17967 2591 1 7 . 1 1 56 56 TYR N N 54 124.910 124.910 126.945 -2.035 17967 2592 1 7 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.151 0.249 17967 2593 1 7 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.508 -0.178 17967 2594 1 7 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.312 1.718 17967 2595 1 7 . 1 1 56 56 TYR H H 54 8.700 8.700 8.437 0.263 17967 2596 1 7 . 1 1 57 57 ARG N N 55 123.810 123.810 125.872 -2.062 17967 2597 1 7 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.224 0.416 17967 2598 1 7 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.752 -0.321 17967 2599 1 7 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.617 3.213 17967 2600 1 7 . 1 1 57 57 ARG H H 55 8.870 8.870 8.428 0.442 17967 2601 1 7 . 1 1 58 58 ASP N N 56 129.110 129.110 125.476 3.634 17967 2602 1 7 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.265 0.045 17967 2603 1 7 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.314 -0.484 17967 2604 1 7 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.162 -0.032 17967 2605 1 7 . 1 1 58 58 ASP H H 56 9.620 9.620 8.481 1.139 17967 2606 1 7 . 1 1 59 59 GLY N N 57 104.510 104.510 106.147 -1.637 17967 2607 1 7 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.451 0.179 17967 2608 1 7 . 1 1 59 59 GLY H H 57 8.720 8.720 8.237 0.483 17967 2609 1 7 . 1 1 60 60 ASN N N 58 122.210 122.210 119.524 2.686 17967 2610 1 7 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.210 0.190 17967 2611 1 7 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.506 -0.176 17967 2612 1 7 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.812 -0.382 17967 2613 1 7 . 1 1 60 60 ASN H H 58 8.120 8.120 7.974 0.146 17967 2614 1 7 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.403 0.387 17967 2615 1 7 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.233 -0.204 17967 2616 1 7 . 1 1 61 61 PRO CB C 59 33.530 33.530 30.774 2.756 17967 2617 1 7 . 1 1 62 62 TYR N N 60 119.810 119.810 122.682 -2.872 17967 2618 1 7 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.495 -0.135 17967 2619 1 7 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.227 2.003 17967 2620 1 7 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.430 1.000 17967 2621 1 7 . 1 1 62 62 TYR H H 60 8.590 8.590 7.590 1.000 17967 2622 1 7 . 1 1 63 63 ALA N N 61 123.810 123.810 122.237 1.573 17967 2623 1 7 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.089 0.331 17967 2624 1 7 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.465 -0.135 17967 2625 1 7 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.450 -0.120 17967 2626 1 7 . 1 1 63 63 ALA H H 61 8.010 8.010 8.591 -0.581 17967 2627 1 7 . 1 1 64 64 VAL N N 62 120.510 120.510 119.536 0.974 17967 2628 1 7 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.163 1.337 17967 2629 1 7 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.564 -0.334 17967 2630 1 7 . 1 1 64 64 VAL CB C 62 36.330 36.330 32.548 3.782 17967 2631 1 7 . 1 1 64 64 VAL H H 62 6.380 6.380 8.399 -2.019 17967 2632 1 7 . 1 1 65 65 CYS N N 63 130.310 130.310 126.276 4.034 17967 2633 1 7 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.373 0.187 17967 2634 1 7 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.643 -0.213 17967 2635 1 7 . 1 1 65 65 CYS CB C 63 31.130 31.130 28.593 2.537 17967 2636 1 7 . 1 1 65 65 CYS H H 63 9.430 9.430 8.597 0.833 17967 2637 1 7 . 1 1 66 66 ASP N N 64 121.110 121.110 121.075 0.035 17967 2638 1 7 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.318 0.092 17967 2639 1 7 . 1 1 66 66 ASP CA C 64 58.230 58.230 57.991 0.239 17967 2640 1 7 . 1 1 66 66 ASP CB C 64 42.330 42.330 41.081 1.250 17967 2641 1 7 . 1 1 66 66 ASP H H 64 9.120 9.120 8.802 0.318 17967 2642 1 7 . 1 1 67 67 LYS N N 65 122.110 122.110 119.467 2.643 17967 2643 1 7 . 1 1 67 67 LYS HA H 65 4.010 4.010 4.232 -0.222 17967 2644 1 7 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.054 1.076 17967 2645 1 7 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.502 0.328 17967 2646 1 7 . 1 1 67 67 LYS H H 65 8.330 8.330 7.752 0.578 17967 2647 1 7 . 1 1 68 68 CYS N N 66 125.610 125.610 119.642 5.968 17967 2648 1 7 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.242 -0.132 17967 2649 1 7 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.024 1.506 17967 2650 1 7 . 1 1 68 68 CYS CB C 66 30.730 30.730 25.761 4.969 17967 2651 1 7 . 1 1 68 68 CYS H H 66 8.700 8.700 7.815 0.885 17967 2652 1 7 . 1 1 69 69 LEU N N 67 125.310 125.310 121.912 3.398 17967 2653 1 7 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.114 -0.114 17967 2654 1 7 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.867 -0.337 17967 2655 1 7 . 1 1 69 69 LEU CB C 67 42.130 42.130 42.304 -0.174 17967 2656 1 7 . 1 1 69 69 LEU H H 67 8.470 8.470 8.494 -0.024 17967 2657 1 7 . 1 1 70 70 LYS N N 68 119.010 119.010 116.246 2.764 17967 2658 1 7 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.265 -0.285 17967 2659 1 7 . 1 1 70 70 LYS CA C 68 58.830 58.830 57.634 1.196 17967 2660 1 7 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.306 0.824 17967 2661 1 7 . 1 1 70 70 LYS H H 68 7.810 7.810 7.846 -0.036 17967 2662 1 7 . 1 1 71 71 PHE N N 69 121.710 121.710 119.527 2.183 17967 2663 1 7 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.097 0.183 17967 2664 1 7 . 1 1 71 71 PHE CA C 69 59.930 59.930 61.283 -1.353 17967 2665 1 7 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.868 -0.438 17967 2666 1 7 . 1 1 71 71 PHE H H 69 7.810 7.810 7.647 0.163 17967 2667 1 7 . 1 1 72 72 TYR N N 70 120.110 120.110 117.386 2.724 17967 2668 1 7 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.811 -0.491 17967 2669 1 7 . 1 1 72 72 TYR CA C 70 60.330 60.330 57.164 3.166 17967 2670 1 7 . 1 1 72 72 TYR CB C 70 40.430 40.430 37.709 2.721 17967 2671 1 7 . 1 1 72 72 TYR H H 70 8.280 8.280 8.331 -0.051 17967 2672 1 7 . 1 1 73 73 SER N N 71 117.210 117.210 116.580 0.630 17967 2673 1 7 . 1 1 73 73 SER HA H 71 4.320 4.320 4.563 -0.243 17967 2674 1 7 . 1 1 73 73 SER CA C 71 60.130 60.130 59.535 0.595 17967 2675 1 7 . 1 1 73 73 SER CB C 71 63.630 63.630 64.132 -0.502 17967 2676 1 7 . 1 1 73 73 SER H H 71 7.870 7.870 8.474 -0.604 17967 2677 1 7 . 1 1 74 74 LYS N N 72 122.810 122.810 123.506 -0.696 17967 2678 1 7 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.265 0.005 17967 2679 1 7 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.256 -0.326 17967 2680 1 7 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.663 -0.033 17967 2681 1 7 . 1 1 74 74 LYS H H 72 7.800 7.800 8.268 -0.468 17967 2682 1 7 . 1 1 75 75 ILE N N 73 121.610 121.610 119.361 2.249 17967 2683 1 7 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.333 -0.223 17967 2684 1 7 . 1 1 75 75 ILE CA C 73 61.830 61.830 62.074 -0.244 17967 2685 1 7 . 1 1 75 75 ILE CB C 73 38.630 38.630 37.630 1.000 17967 2686 1 7 . 1 1 75 75 ILE H H 73 7.750 7.750 8.367 -0.617 17967 2687 1 7 . 1 1 76 76 SER N N 74 120.410 120.410 121.511 -1.101 17967 2688 1 7 . 1 1 76 76 SER HA H 74 4.300 4.300 4.893 -0.593 17967 2689 1 7 . 1 1 76 76 SER CA C 74 59.330 59.330 59.243 0.087 17967 2690 1 7 . 1 1 76 76 SER CB C 74 63.830 63.830 65.631 -1.801 17967 2691 1 7 . 1 1 76 76 SER H H 74 8.130 8.130 8.679 -0.549 17967 2692 1 7 . 1 1 77 77 GLU N N 75 123.810 123.810 122.790 1.020 17967 2693 1 7 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.602 -0.412 17967 2694 1 7 . 1 1 77 77 GLU CA C 75 57.330 57.330 56.048 1.282 17967 2695 1 7 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.131 -0.001 17967 2696 1 7 . 1 1 77 77 GLU H H 75 8.270 8.270 8.607 -0.337 17967 2697 1 7 . 1 1 78 78 TYR N N 76 122.410 122.410 123.502 -1.092 17967 2698 1 7 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.647 -0.187 17967 2699 1 7 . 1 1 78 78 TYR CA C 76 58.130 58.130 58.369 -0.239 17967 2700 1 7 . 1 1 78 78 TYR CB C 76 38.630 38.630 41.883 -3.252 17967 2701 1 7 . 1 1 78 78 TYR H H 76 7.980 7.980 8.505 -0.525 17967 2702 1 7 . 1 1 79 79 ARG N N 77 124.710 124.710 121.424 3.286 17967 2703 1 7 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.969 -0.769 17967 2704 1 7 . 1 1 79 79 ARG CA C 77 56.030 56.030 56.227 -0.197 17967 2705 1 7 . 1 1 79 79 ARG CB C 77 31.030 31.030 29.855 1.175 17967 2706 1 7 . 1 1 79 79 ARG H H 77 7.880 7.880 8.961 -1.081 17967 2707 1 7 . 1 1 80 80 HIS N N 78 122.110 122.110 116.061 6.049 17967 2708 1 7 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.811 -0.301 17967 2709 1 7 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.478 0.852 17967 2710 1 7 . 1 1 80 80 HIS CB C 78 30.830 30.830 29.740 1.090 17967 2711 1 7 . 1 1 80 80 HIS H H 78 8.120 8.120 8.859 -0.739 17967 2712 1 7 . 1 1 81 81 TYR N N 79 123.610 123.610 121.928 1.682 17967 2713 1 7 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.560 0.030 17967 2714 1 7 . 1 1 81 81 TYR CA C 79 57.830 57.830 58.149 -0.319 17967 2715 1 7 . 1 1 81 81 TYR CB C 79 39.130 39.130 38.546 0.584 17967 2716 1 7 . 1 1 81 81 TYR H H 79 7.970 7.970 8.342 -0.372 17967 2717 1 8 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.673 -0.383 17967 2718 1 8 . 1 1 2 2 ALA CA C 0 52.530 52.530 51.610 0.920 17967 2719 1 8 . 1 1 2 2 ALA CB C 0 19.730 19.730 19.994 -0.264 17967 2720 1 8 . 1 1 3 3 MET N N 1 122.210 122.210 120.106 2.104 17967 2721 1 8 . 1 1 3 3 MET HA H 1 4.300 4.300 4.589 -0.289 17967 2722 1 8 . 1 1 3 3 MET CA C 1 56.030 56.030 55.490 0.540 17967 2723 1 8 . 1 1 3 3 MET CB C 1 33.430 33.430 32.928 0.502 17967 2724 1 8 . 1 1 3 3 MET H H 1 8.370 8.370 7.722 0.648 17967 2725 1 8 . 1 1 4 4 PHE N N 2 122.310 122.310 124.716 -2.406 17967 2726 1 8 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.701 -0.071 17967 2727 1 8 . 1 1 4 4 PHE CA C 2 57.330 57.330 55.593 1.737 17967 2728 1 8 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.867 -1.437 17967 2729 1 8 . 1 1 4 4 PHE H H 2 8.370 8.370 8.156 0.214 17967 2730 1 8 . 1 1 5 5 GLN N N 3 123.510 123.510 121.820 1.690 17967 2731 1 8 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.230 -0.050 17967 2732 1 8 . 1 1 5 5 GLN CA C 3 56.130 56.130 55.973 0.157 17967 2733 1 8 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.549 0.381 17967 2734 1 8 . 1 1 5 5 GLN H H 3 8.260 8.260 8.387 -0.127 17967 2735 1 8 . 1 1 6 6 ASP N N 4 125.010 125.010 128.860 -3.850 17967 2736 1 8 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.836 -0.046 17967 2737 1 8 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.308 0.622 17967 2738 1 8 . 1 1 6 6 ASP CB C 4 41.730 41.730 42.121 -0.391 17967 2739 1 8 . 1 1 6 6 ASP H H 4 8.420 8.420 8.522 -0.102 17967 2740 1 8 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.531 -0.411 17967 2741 1 8 . 1 1 7 7 PRO CA C 5 64.030 64.030 63.142 0.888 17967 2742 1 8 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.238 0.092 17967 2743 1 8 . 1 1 8 8 GLN N N 6 119.710 119.710 121.053 -1.343 17967 2744 1 8 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.233 -0.073 17967 2745 1 8 . 1 1 8 8 GLN CA C 6 56.630 56.630 54.874 1.756 17967 2746 1 8 . 1 1 8 8 GLN CB C 6 29.330 29.330 26.564 2.766 17967 2747 1 8 . 1 1 8 8 GLN H H 6 8.430 8.430 7.879 0.551 17967 2748 1 8 . 1 1 9 9 GLU N N 7 122.110 122.110 122.231 -0.121 17967 2749 1 8 . 1 1 9 9 GLU HA H 7 4.200 4.200 3.718 0.482 17967 2750 1 8 . 1 1 9 9 GLU CA C 7 56.030 56.030 58.188 -2.158 17967 2751 1 8 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.497 1.032 17967 2752 1 8 . 1 1 9 9 GLU H H 7 7.940 7.940 8.259 -0.319 17967 2753 1 8 . 1 1 10 10 ARG N N 8 123.410 123.410 113.819 9.591 17967 2754 1 8 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.164 0.236 17967 2755 1 8 . 1 1 10 10 ARG CA C 8 54.130 54.130 56.135 -2.005 17967 2756 1 8 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.458 1.872 17967 2757 1 8 . 1 1 10 10 ARG H H 8 7.660 7.660 7.836 -0.176 17967 2758 1 8 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.700 -0.350 17967 2759 1 8 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.671 0.859 17967 2760 1 8 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.718 -0.088 17967 2761 1 8 . 1 1 12 12 ARG N N 10 123.810 123.810 117.155 6.655 17967 2762 1 8 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.672 -0.002 17967 2763 1 8 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.561 0.269 17967 2764 1 8 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.605 0.925 17967 2765 1 8 . 1 1 12 12 ARG H H 10 8.710 8.710 8.752 -0.042 17967 2766 1 8 . 1 1 13 13 LYS N N 11 118.410 118.410 119.426 -1.016 17967 2767 1 8 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.779 0.271 17967 2768 1 8 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.096 -0.766 17967 2769 1 8 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.251 1.179 17967 2770 1 8 . 1 1 13 13 LYS H H 11 7.800 7.800 7.730 0.070 17967 2771 1 8 . 1 1 14 14 LEU N N 12 125.010 125.010 126.224 -1.214 17967 2772 1 8 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.168 0.002 17967 2773 1 8 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.423 0.307 17967 2774 1 8 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.946 0.584 17967 2775 1 8 . 1 1 14 14 LEU H H 12 10.210 10.210 9.166 1.044 17967 2776 1 8 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.288 -0.068 17967 2777 1 8 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.625 1.605 17967 2778 1 8 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.147 -0.417 17967 2779 1 8 . 1 1 16 16 GLN N N 14 117.810 117.810 116.648 1.162 17967 2780 1 8 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.172 0.018 17967 2781 1 8 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.432 0.598 17967 2782 1 8 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.282 0.348 17967 2783 1 8 . 1 1 16 16 GLN H H 14 7.110 7.110 8.392 -1.282 17967 2784 1 8 . 1 1 17 17 LEU N N 15 124.710 124.710 122.251 2.459 17967 2785 1 8 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.229 -0.219 17967 2786 1 8 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.410 0.921 17967 2787 1 8 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.826 0.204 17967 2788 1 8 . 1 1 17 17 LEU H H 15 8.010 8.010 7.964 0.046 17967 2789 1 8 . 1 1 18 18 CYS N N 16 117.210 117.210 117.594 -0.384 17967 2790 1 8 . 1 1 18 18 CYS HA H 16 3.750 3.750 4.012 -0.262 17967 2791 1 8 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.676 1.054 17967 2792 1 8 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.858 0.371 17967 2793 1 8 . 1 1 18 18 CYS H H 16 8.380 8.380 8.261 0.119 17967 2794 1 8 . 1 1 19 19 THR N N 17 117.810 117.810 115.612 2.198 17967 2795 1 8 . 1 1 19 19 THR HA H 17 4.000 4.000 3.966 0.034 17967 2796 1 8 . 1 1 19 19 THR CA C 17 66.830 66.830 66.884 -0.054 17967 2797 1 8 . 1 1 19 19 THR CB C 17 68.830 68.830 68.569 0.261 17967 2798 1 8 . 1 1 19 19 THR H H 17 7.720 7.720 7.725 -0.005 17967 2799 1 8 . 1 1 20 20 GLU N N 18 125.410 125.410 120.744 4.666 17967 2800 1 8 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.145 -0.075 17967 2801 1 8 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.491 1.239 17967 2802 1 8 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.727 0.003 17967 2803 1 8 . 1 1 20 20 GLU H H 18 8.010 8.010 7.926 0.084 17967 2804 1 8 . 1 1 21 21 LEU N N 19 118.810 118.810 118.059 0.751 17967 2805 1 8 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.221 0.079 17967 2806 1 8 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.739 -0.909 17967 2807 1 8 . 1 1 21 21 LEU CB C 19 42.330 42.330 42.027 0.303 17967 2808 1 8 . 1 1 21 21 LEU H H 19 8.010 8.010 7.806 0.204 17967 2809 1 8 . 1 1 22 22 GLN N N 20 118.310 118.310 114.980 3.330 17967 2810 1 8 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.061 -0.111 17967 2811 1 8 . 1 1 22 22 GLN CA C 20 56.730 56.730 56.975 -0.245 17967 2812 1 8 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.208 -0.078 17967 2813 1 8 . 1 1 22 22 GLN H H 20 7.860 7.860 7.566 0.294 17967 2814 1 8 . 1 1 23 23 THR N N 21 115.910 115.910 111.531 4.379 17967 2815 1 8 . 1 1 23 23 THR HA H 21 4.950 4.950 4.603 0.347 17967 2816 1 8 . 1 1 23 23 THR CA C 21 58.530 58.530 59.672 -1.142 17967 2817 1 8 . 1 1 23 23 THR CB C 21 70.330 70.330 70.108 0.222 17967 2818 1 8 . 1 1 23 23 THR H H 21 8.250 8.250 8.274 -0.024 17967 2819 1 8 . 1 1 24 24 THR N N 22 112.810 112.810 113.869 -1.059 17967 2820 1 8 . 1 1 24 24 THR HA H 22 4.880 4.880 4.588 0.292 17967 2821 1 8 . 1 1 24 24 THR CA C 22 59.730 59.730 60.277 -0.547 17967 2822 1 8 . 1 1 24 24 THR CB C 22 74.130 74.130 70.885 3.244 17967 2823 1 8 . 1 1 24 24 THR H H 22 8.660 8.660 7.904 0.756 17967 2824 1 8 . 1 1 25 25 ILE N N 23 123.710 123.710 119.709 4.001 17967 2825 1 8 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.730 0.050 17967 2826 1 8 . 1 1 25 25 ILE CA C 23 63.430 63.430 63.702 -0.272 17967 2827 1 8 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.873 0.757 17967 2828 1 8 . 1 1 25 25 ILE H H 23 9.060 9.060 8.110 0.950 17967 2829 1 8 . 1 1 26 26 HIS N N 24 119.510 119.510 113.832 5.678 17967 2830 1 8 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.919 -0.479 17967 2831 1 8 . 1 1 26 26 HIS CA C 24 57.030 57.030 54.953 2.077 17967 2832 1 8 . 1 1 26 26 HIS CB C 24 30.830 30.830 28.741 2.089 17967 2833 1 8 . 1 1 26 26 HIS H H 24 7.040 7.040 7.580 -0.540 17967 2834 1 8 . 1 1 27 27 ASP N N 25 116.810 116.810 118.889 -2.079 17967 2835 1 8 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.631 0.129 17967 2836 1 8 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.768 -0.338 17967 2837 1 8 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.160 1.171 17967 2838 1 8 . 1 1 27 27 ASP H H 25 7.250 7.250 7.503 -0.253 17967 2839 1 8 . 1 1 28 28 ILE N N 26 123.210 123.210 121.435 1.775 17967 2840 1 8 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.890 0.040 17967 2841 1 8 . 1 1 28 28 ILE CA C 26 63.030 63.030 63.034 -0.004 17967 2842 1 8 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.632 -0.702 17967 2843 1 8 . 1 1 28 28 ILE H H 26 7.750 7.750 7.820 -0.070 17967 2844 1 8 . 1 1 29 29 ILE N N 27 131.110 131.110 129.034 2.076 17967 2845 1 8 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.142 0.238 17967 2846 1 8 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.856 -1.026 17967 2847 1 8 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.700 0.930 17967 2848 1 8 . 1 1 29 29 ILE H H 27 8.270 8.270 8.372 -0.102 17967 2849 1 8 . 1 1 30 30 LEU N N 28 129.410 129.410 128.723 0.687 17967 2850 1 8 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.616 0.044 17967 2851 1 8 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.285 -0.756 17967 2852 1 8 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.586 2.744 17967 2853 1 8 . 1 1 30 30 LEU H H 28 8.500 8.500 8.383 0.117 17967 2854 1 8 . 1 1 31 31 GLU N N 29 121.910 121.910 121.300 0.610 17967 2855 1 8 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.698 -0.018 17967 2856 1 8 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.479 0.451 17967 2857 1 8 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.366 0.664 17967 2858 1 8 . 1 1 31 31 GLU H H 29 8.860 8.860 8.187 0.673 17967 2859 1 8 . 1 1 32 32 CYS N N 30 125.710 125.710 119.684 6.026 17967 2860 1 8 . 1 1 32 32 CYS HA H 30 4.020 4.020 5.011 -0.991 17967 2861 1 8 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.415 -1.185 17967 2862 1 8 . 1 1 32 32 CYS CB C 30 31.730 31.730 28.319 3.411 17967 2863 1 8 . 1 1 32 32 CYS H H 30 8.270 8.270 8.613 -0.343 17967 2864 1 8 . 1 1 33 33 VAL N N 31 132.310 132.310 127.355 4.955 17967 2865 1 8 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.278 -0.178 17967 2866 1 8 . 1 1 33 33 VAL CA C 31 64.230 64.230 64.395 -0.165 17967 2867 1 8 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.769 -0.139 17967 2868 1 8 . 1 1 33 33 VAL H H 31 8.860 8.860 8.270 0.590 17967 2869 1 8 . 1 1 34 34 TYR N N 32 124.310 124.310 118.721 5.589 17967 2870 1 8 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.632 -0.192 17967 2871 1 8 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.898 1.132 17967 2872 1 8 . 1 1 34 34 TYR CB C 32 40.130 40.130 39.070 1.060 17967 2873 1 8 . 1 1 34 34 TYR H H 32 8.590 8.590 7.571 1.019 17967 2874 1 8 . 1 1 35 35 CYS N N 33 119.810 119.810 114.067 5.743 17967 2875 1 8 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.798 0.042 17967 2876 1 8 . 1 1 35 35 CYS CA C 33 59.430 59.430 58.967 0.463 17967 2877 1 8 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.037 4.193 17967 2878 1 8 . 1 1 35 35 CYS H H 33 8.070 8.070 8.041 0.029 17967 2879 1 8 . 1 1 36 36 LYS N N 34 119.910 119.910 118.675 1.235 17967 2880 1 8 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.848 0.342 17967 2881 1 8 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.308 0.522 17967 2882 1 8 . 1 1 36 36 LYS CB C 34 29.330 29.330 30.409 -1.079 17967 2883 1 8 . 1 1 36 36 LYS H H 34 7.860 7.860 8.108 -0.248 17967 2884 1 8 . 1 1 37 37 GLN N N 35 120.710 120.710 117.243 3.467 17967 2885 1 8 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.389 -0.029 17967 2886 1 8 . 1 1 37 37 GLN CA C 35 55.430 55.430 53.968 1.462 17967 2887 1 8 . 1 1 37 37 GLN CB C 35 29.630 29.630 30.663 -1.033 17967 2888 1 8 . 1 1 37 37 GLN H H 35 8.270 8.270 7.769 0.501 17967 2889 1 8 . 1 1 38 38 GLN N N 36 123.710 123.710 122.214 1.496 17967 2890 1 8 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.092 0.208 17967 2891 1 8 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.586 0.144 17967 2892 1 8 . 1 1 38 38 GLN CB C 36 29.330 29.330 29.090 0.240 17967 2893 1 8 . 1 1 38 38 GLN H H 36 8.640 8.640 8.569 0.071 17967 2894 1 8 . 1 1 39 39 LEU N N 37 131.310 131.310 127.411 3.899 17967 2895 1 8 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.185 -0.075 17967 2896 1 8 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.609 1.721 17967 2897 1 8 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.570 -0.640 17967 2898 1 8 . 1 1 39 39 LEU H H 37 8.870 8.870 7.981 0.889 17967 2899 1 8 . 1 1 40 40 LEU N N 38 126.310 126.310 123.972 2.338 17967 2900 1 8 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.295 0.015 17967 2901 1 8 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.665 -0.435 17967 2902 1 8 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.092 0.038 17967 2903 1 8 . 1 1 40 40 LEU H H 38 9.850 9.850 8.335 1.515 17967 2904 1 8 . 1 1 41 41 ARG N N 39 127.110 127.110 125.528 1.582 17967 2905 1 8 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.790 -0.270 17967 2906 1 8 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.892 -2.062 17967 2907 1 8 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.806 -2.876 17967 2908 1 8 . 1 1 41 41 ARG H H 39 8.970 8.970 8.924 0.046 17967 2909 1 8 . 1 1 42 42 ARG N N 40 115.810 115.810 117.675 -1.865 17967 2910 1 8 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.281 -0.201 17967 2911 1 8 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.183 -0.053 17967 2912 1 8 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.244 0.086 17967 2913 1 8 . 1 1 42 42 ARG H H 40 8.610 8.610 8.673 -0.063 17967 2914 1 8 . 1 1 43 43 GLU N N 41 119.910 119.910 119.037 0.873 17967 2915 1 8 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.571 -0.321 17967 2916 1 8 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.353 0.677 17967 2917 1 8 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.027 1.303 17967 2918 1 8 . 1 1 43 43 GLU H H 41 6.950 6.950 7.872 -0.922 17967 2919 1 8 . 1 1 44 44 VAL N N 42 125.010 125.010 120.269 4.741 17967 2920 1 8 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.554 -0.314 17967 2921 1 8 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.352 1.278 17967 2922 1 8 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.387 -0.057 17967 2923 1 8 . 1 1 44 44 VAL H H 42 7.820 7.820 7.908 -0.088 17967 2924 1 8 . 1 1 45 45 TYR N N 43 118.410 118.410 118.249 0.161 17967 2925 1 8 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.143 0.287 17967 2926 1 8 . 1 1 45 45 TYR CA C 43 58.830 58.830 61.379 -2.549 17967 2927 1 8 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.600 -0.870 17967 2928 1 8 . 1 1 45 45 TYR H H 43 7.820 7.820 8.001 -0.181 17967 2929 1 8 . 1 1 46 46 ASP N N 44 122.410 122.410 120.133 2.277 17967 2930 1 8 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.296 0.304 17967 2931 1 8 . 1 1 46 46 ASP CA C 44 57.830 57.830 58.075 -0.245 17967 2932 1 8 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.464 0.566 17967 2933 1 8 . 1 1 46 46 ASP H H 44 8.540 8.540 7.883 0.657 17967 2934 1 8 . 1 1 47 47 PHE N N 45 126.210 126.210 119.315 6.895 17967 2935 1 8 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.109 -0.199 17967 2936 1 8 . 1 1 47 47 PHE CA C 45 62.630 62.630 62.001 0.629 17967 2937 1 8 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.086 0.244 17967 2938 1 8 . 1 1 47 47 PHE H H 45 8.320 8.320 7.816 0.504 17967 2939 1 8 . 1 1 48 48 ALA N N 46 119.110 119.110 119.168 -0.058 17967 2940 1 8 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.317 0.203 17967 2941 1 8 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.898 0.332 17967 2942 1 8 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.579 0.151 17967 2943 1 8 . 1 1 48 48 ALA H H 46 7.740 7.740 7.779 -0.039 17967 2944 1 8 . 1 1 49 49 ARG N N 47 124.010 124.010 118.036 5.974 17967 2945 1 8 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.326 -0.276 17967 2946 1 8 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.048 2.582 17967 2947 1 8 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.477 -0.046 17967 2948 1 8 . 1 1 49 49 ARG H H 47 8.500 8.500 8.244 0.256 17967 2949 1 8 . 1 1 50 50 ARG N N 48 119.110 119.110 118.479 0.631 17967 2950 1 8 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.483 -0.473 17967 2951 1 8 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.866 2.264 17967 2952 1 8 . 1 1 50 50 ARG CB C 48 31.130 31.130 31.801 -0.671 17967 2953 1 8 . 1 1 50 50 ARG H H 48 7.940 7.940 7.871 0.069 17967 2954 1 8 . 1 1 51 51 ASP N N 49 120.910 120.910 119.711 1.199 17967 2955 1 8 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.738 -0.318 17967 2956 1 8 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.679 0.851 17967 2957 1 8 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.580 -0.649 17967 2958 1 8 . 1 1 51 51 ASP H H 49 7.950 7.950 8.246 -0.296 17967 2959 1 8 . 1 1 52 52 LEU N N 50 118.410 118.410 121.533 -3.123 17967 2960 1 8 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.452 -0.302 17967 2961 1 8 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.378 0.852 17967 2962 1 8 . 1 1 52 52 LEU CB C 50 41.130 41.130 43.715 -2.585 17967 2963 1 8 . 1 1 52 52 LEU H H 50 6.640 6.640 7.299 -0.659 17967 2964 1 8 . 1 1 53 53 CYS N N 51 117.410 117.410 117.133 0.277 17967 2965 1 8 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.183 -0.253 17967 2966 1 8 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.474 2.456 17967 2967 1 8 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.754 -2.124 17967 2968 1 8 . 1 1 53 53 CYS H H 51 8.030 8.030 8.112 -0.082 17967 2969 1 8 . 1 1 54 54 ILE N N 52 125.110 125.110 124.497 0.613 17967 2970 1 8 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.260 -0.250 17967 2971 1 8 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.902 -2.272 17967 2972 1 8 . 1 1 54 54 ILE CB C 52 37.330 37.330 39.229 -1.899 17967 2973 1 8 . 1 1 54 54 ILE H H 52 8.500 8.500 8.853 -0.353 17967 2974 1 8 . 1 1 55 55 VAL N N 53 127.010 127.010 123.623 3.387 17967 2975 1 8 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.593 -0.223 17967 2976 1 8 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.681 -0.051 17967 2977 1 8 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.486 1.744 17967 2978 1 8 . 1 1 55 55 VAL H H 53 8.130 8.130 8.121 0.009 17967 2979 1 8 . 1 1 56 56 TYR N N 54 124.910 124.910 127.121 -2.211 17967 2980 1 8 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.214 0.186 17967 2981 1 8 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.572 -0.242 17967 2982 1 8 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.285 1.745 17967 2983 1 8 . 1 1 56 56 TYR H H 54 8.700 8.700 8.638 0.062 17967 2984 1 8 . 1 1 57 57 ARG N N 55 123.810 123.810 125.494 -1.684 17967 2985 1 8 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.422 0.218 17967 2986 1 8 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.742 -0.312 17967 2987 1 8 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.636 2.194 17967 2988 1 8 . 1 1 57 57 ARG H H 55 8.870 8.870 8.355 0.515 17967 2989 1 8 . 1 1 58 58 ASP N N 56 129.110 129.110 125.993 3.117 17967 2990 1 8 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.309 0.001 17967 2991 1 8 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.550 -0.720 17967 2992 1 8 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.029 0.101 17967 2993 1 8 . 1 1 58 58 ASP H H 56 9.620 9.620 9.155 0.465 17967 2994 1 8 . 1 1 59 59 GLY N N 57 104.510 104.510 108.624 -4.114 17967 2995 1 8 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.105 0.525 17967 2996 1 8 . 1 1 59 59 GLY H H 57 8.720 8.720 8.436 0.284 17967 2997 1 8 . 1 1 60 60 ASN N N 58 122.210 122.210 118.664 3.546 17967 2998 1 8 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.145 0.255 17967 2999 1 8 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.860 -0.530 17967 3000 1 8 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.122 -0.692 17967 3001 1 8 . 1 1 60 60 ASN H H 58 8.120 8.120 7.884 0.236 17967 3002 1 8 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.483 0.307 17967 3003 1 8 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.183 -0.153 17967 3004 1 8 . 1 1 61 61 PRO CB C 59 33.530 33.530 30.992 2.538 17967 3005 1 8 . 1 1 62 62 TYR N N 60 119.810 119.810 122.534 -2.724 17967 3006 1 8 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.505 -0.145 17967 3007 1 8 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.279 1.951 17967 3008 1 8 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.495 0.935 17967 3009 1 8 . 1 1 62 62 TYR H H 60 8.590 8.590 7.551 1.039 17967 3010 1 8 . 1 1 63 63 ALA N N 61 123.810 123.810 122.002 1.808 17967 3011 1 8 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.157 0.263 17967 3012 1 8 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.252 0.079 17967 3013 1 8 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.666 -0.336 17967 3014 1 8 . 1 1 63 63 ALA H H 61 8.010 8.010 8.846 -0.836 17967 3015 1 8 . 1 1 64 64 VAL N N 62 120.510 120.510 118.696 1.814 17967 3016 1 8 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.452 1.048 17967 3017 1 8 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.588 -0.358 17967 3018 1 8 . 1 1 64 64 VAL CB C 62 36.330 36.330 32.444 3.886 17967 3019 1 8 . 1 1 64 64 VAL H H 62 6.380 6.380 8.468 -2.088 17967 3020 1 8 . 1 1 65 65 CYS N N 63 130.310 130.310 125.725 4.585 17967 3021 1 8 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.590 -0.030 17967 3022 1 8 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.612 0.818 17967 3023 1 8 . 1 1 65 65 CYS CB C 63 31.130 31.130 29.143 1.987 17967 3024 1 8 . 1 1 65 65 CYS H H 63 9.430 9.430 8.619 0.811 17967 3025 1 8 . 1 1 66 66 ASP N N 64 121.110 121.110 120.731 0.379 17967 3026 1 8 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.239 0.171 17967 3027 1 8 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.439 -0.209 17967 3028 1 8 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.853 1.477 17967 3029 1 8 . 1 1 66 66 ASP H H 64 9.120 9.120 8.778 0.342 17967 3030 1 8 . 1 1 67 67 LYS N N 65 122.110 122.110 118.362 3.748 17967 3031 1 8 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.866 0.144 17967 3032 1 8 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.798 1.332 17967 3033 1 8 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.400 0.430 17967 3034 1 8 . 1 1 67 67 LYS H H 65 8.330 8.330 7.849 0.481 17967 3035 1 8 . 1 1 68 68 CYS N N 66 125.610 125.610 116.869 8.741 17967 3036 1 8 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.618 -0.508 17967 3037 1 8 . 1 1 68 68 CYS CA C 66 63.530 63.530 60.531 2.999 17967 3038 1 8 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.555 4.175 17967 3039 1 8 . 1 1 68 68 CYS H H 66 8.700 8.700 7.767 0.933 17967 3040 1 8 . 1 1 69 69 LEU N N 67 125.310 125.310 122.591 2.719 17967 3041 1 8 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.063 -0.063 17967 3042 1 8 . 1 1 69 69 LEU CA C 67 58.530 58.530 57.920 0.610 17967 3043 1 8 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.864 0.266 17967 3044 1 8 . 1 1 69 69 LEU H H 67 8.470 8.470 8.778 -0.308 17967 3045 1 8 . 1 1 70 70 LYS N N 68 119.010 119.010 116.275 2.735 17967 3046 1 8 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.156 -0.176 17967 3047 1 8 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.120 0.710 17967 3048 1 8 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.631 0.499 17967 3049 1 8 . 1 1 70 70 LYS H H 68 7.810 7.810 7.475 0.335 17967 3050 1 8 . 1 1 71 71 PHE N N 69 121.710 121.710 120.256 1.454 17967 3051 1 8 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.214 0.066 17967 3052 1 8 . 1 1 71 71 PHE CA C 69 59.930 59.930 59.646 0.284 17967 3053 1 8 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.516 0.914 17967 3054 1 8 . 1 1 71 71 PHE H H 69 7.810 7.810 7.213 0.597 17967 3055 1 8 . 1 1 72 72 TYR N N 70 120.110 120.110 116.295 3.815 17967 3056 1 8 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.617 -0.297 17967 3057 1 8 . 1 1 72 72 TYR CA C 70 60.330 60.330 57.897 2.433 17967 3058 1 8 . 1 1 72 72 TYR CB C 70 40.430 40.430 37.040 3.390 17967 3059 1 8 . 1 1 72 72 TYR H H 70 8.280 8.280 8.829 -0.549 17967 3060 1 8 . 1 1 73 73 SER N N 71 117.210 117.210 115.307 1.903 17967 3061 1 8 . 1 1 73 73 SER HA H 71 4.320 4.320 4.312 0.008 17967 3062 1 8 . 1 1 73 73 SER CA C 71 60.130 60.130 60.431 -0.301 17967 3063 1 8 . 1 1 73 73 SER CB C 71 63.630 63.630 63.141 0.489 17967 3064 1 8 . 1 1 73 73 SER H H 71 7.870 7.870 7.886 -0.016 17967 3065 1 8 . 1 1 74 74 LYS N N 72 122.810 122.810 121.247 1.563 17967 3066 1 8 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.230 0.040 17967 3067 1 8 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.286 -0.356 17967 3068 1 8 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.901 -0.271 17967 3069 1 8 . 1 1 74 74 LYS H H 72 7.800 7.800 7.740 0.060 17967 3070 1 8 . 1 1 75 75 ILE N N 73 121.610 121.610 121.045 0.565 17967 3071 1 8 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.172 -0.062 17967 3072 1 8 . 1 1 75 75 ILE CA C 73 61.830 61.830 61.806 0.024 17967 3073 1 8 . 1 1 75 75 ILE CB C 73 38.630 38.630 36.939 1.691 17967 3074 1 8 . 1 1 75 75 ILE H H 73 7.750 7.750 7.635 0.115 17967 3075 1 8 . 1 1 76 76 SER N N 74 120.410 120.410 119.957 0.453 17967 3076 1 8 . 1 1 76 76 SER HA H 74 4.300 4.300 4.784 -0.484 17967 3077 1 8 . 1 1 76 76 SER CA C 74 59.330 59.330 59.363 -0.033 17967 3078 1 8 . 1 1 76 76 SER CB C 74 63.830 63.830 65.722 -1.892 17967 3079 1 8 . 1 1 76 76 SER H H 74 8.130 8.130 8.187 -0.057 17967 3080 1 8 . 1 1 77 77 GLU N N 75 123.810 123.810 122.140 1.670 17967 3081 1 8 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.193 -0.003 17967 3082 1 8 . 1 1 77 77 GLU CA C 75 57.330 57.330 57.897 -0.567 17967 3083 1 8 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.104 0.026 17967 3084 1 8 . 1 1 77 77 GLU H H 75 8.270 8.270 8.286 -0.016 17967 3085 1 8 . 1 1 78 78 TYR N N 76 122.410 122.410 120.173 2.237 17967 3086 1 8 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.339 0.121 17967 3087 1 8 . 1 1 78 78 TYR CA C 76 58.130 58.130 59.179 -1.050 17967 3088 1 8 . 1 1 78 78 TYR CB C 76 38.630 38.630 38.538 0.091 17967 3089 1 8 . 1 1 78 78 TYR H H 76 7.980 7.980 8.066 -0.086 17967 3090 1 8 . 1 1 79 79 ARG N N 77 124.710 124.710 125.547 -0.837 17967 3091 1 8 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.179 0.021 17967 3092 1 8 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.405 0.625 17967 3093 1 8 . 1 1 79 79 ARG CB C 77 31.030 31.030 31.475 -0.445 17967 3094 1 8 . 1 1 79 79 ARG H H 77 7.880 7.880 8.249 -0.369 17967 3095 1 8 . 1 1 80 80 HIS N N 78 122.110 122.110 112.314 9.796 17967 3096 1 8 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.135 0.375 17967 3097 1 8 . 1 1 80 80 HIS CA C 78 56.330 56.330 56.259 0.071 17967 3098 1 8 . 1 1 80 80 HIS CB C 78 30.830 30.830 26.836 3.994 17967 3099 1 8 . 1 1 80 80 HIS H H 78 8.120 8.120 7.995 0.125 17967 3100 1 8 . 1 1 81 81 TYR N N 79 123.610 123.610 118.812 4.798 17967 3101 1 8 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.723 -0.133 17967 3102 1 8 . 1 1 81 81 TYR CA C 79 57.830 57.830 56.576 1.254 17967 3103 1 8 . 1 1 81 81 TYR CB C 79 39.130 39.130 40.496 -1.366 17967 3104 1 8 . 1 1 81 81 TYR H H 79 7.970 7.970 7.852 0.118 17967 3105 1 9 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.516 -0.226 17967 3106 1 9 . 1 1 2 2 ALA CA C 0 52.530 52.530 51.531 0.999 17967 3107 1 9 . 1 1 2 2 ALA CB C 0 19.730 19.730 20.175 -0.445 17967 3108 1 9 . 1 1 3 3 MET N N 1 122.210 122.210 118.216 3.994 17967 3109 1 9 . 1 1 3 3 MET HA H 1 4.300 4.300 4.346 -0.046 17967 3110 1 9 . 1 1 3 3 MET CA C 1 56.030 56.030 56.053 -0.023 17967 3111 1 9 . 1 1 3 3 MET CB C 1 33.430 33.430 31.700 1.730 17967 3112 1 9 . 1 1 3 3 MET H H 1 8.370 8.370 8.246 0.124 17967 3113 1 9 . 1 1 4 4 PHE N N 2 122.310 122.310 128.135 -5.825 17967 3114 1 9 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.824 -0.194 17967 3115 1 9 . 1 1 4 4 PHE CA C 2 57.330 57.330 56.610 0.720 17967 3116 1 9 . 1 1 4 4 PHE CB C 2 39.430 39.430 39.546 -0.116 17967 3117 1 9 . 1 1 4 4 PHE H H 2 8.370 8.370 8.993 -0.623 17967 3118 1 9 . 1 1 5 5 GLN N N 3 123.510 123.510 123.282 0.228 17967 3119 1 9 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.534 -0.354 17967 3120 1 9 . 1 1 5 5 GLN CA C 3 56.130 56.130 53.575 2.555 17967 3121 1 9 . 1 1 5 5 GLN CB C 3 29.930 29.930 31.245 -1.315 17967 3122 1 9 . 1 1 5 5 GLN H H 3 8.260 8.260 7.591 0.669 17967 3123 1 9 . 1 1 6 6 ASP N N 4 125.010 125.010 120.303 4.707 17967 3124 1 9 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.421 0.369 17967 3125 1 9 . 1 1 6 6 ASP CA C 4 51.930 51.930 52.845 -0.915 17967 3126 1 9 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.274 0.456 17967 3127 1 9 . 1 1 6 6 ASP H H 4 8.420 8.420 8.401 0.019 17967 3128 1 9 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.279 -0.159 17967 3129 1 9 . 1 1 7 7 PRO CA C 5 64.030 64.030 64.025 0.005 17967 3130 1 9 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.113 0.217 17967 3131 1 9 . 1 1 8 8 GLN N N 6 119.710 119.710 119.189 0.521 17967 3132 1 9 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.421 -0.261 17967 3133 1 9 . 1 1 8 8 GLN CA C 6 56.630 56.630 54.457 2.173 17967 3134 1 9 . 1 1 8 8 GLN CB C 6 29.330 29.330 25.570 3.760 17967 3135 1 9 . 1 1 8 8 GLN H H 6 8.430 8.430 7.595 0.835 17967 3136 1 9 . 1 1 9 9 GLU N N 7 122.110 122.110 121.124 0.986 17967 3137 1 9 . 1 1 9 9 GLU HA H 7 4.200 4.200 3.891 0.309 17967 3138 1 9 . 1 1 9 9 GLU CA C 7 56.030 56.030 57.139 -1.109 17967 3139 1 9 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.954 0.576 17967 3140 1 9 . 1 1 9 9 GLU H H 7 7.940 7.940 8.468 -0.528 17967 3141 1 9 . 1 1 10 10 ARG N N 8 123.410 123.410 115.251 8.159 17967 3142 1 9 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.254 0.146 17967 3143 1 9 . 1 1 10 10 ARG CA C 8 54.130 54.130 56.180 -2.050 17967 3144 1 9 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.194 1.136 17967 3145 1 9 . 1 1 10 10 ARG H H 8 7.660 7.660 8.272 -0.612 17967 3146 1 9 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.550 -0.200 17967 3147 1 9 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.937 0.593 17967 3148 1 9 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.880 -0.250 17967 3149 1 9 . 1 1 12 12 ARG N N 10 123.810 123.810 115.938 7.872 17967 3150 1 9 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.676 -0.006 17967 3151 1 9 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.408 1.422 17967 3152 1 9 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.321 1.209 17967 3153 1 9 . 1 1 12 12 ARG H H 10 8.710 8.710 8.665 0.045 17967 3154 1 9 . 1 1 13 13 LYS N N 11 118.410 118.410 119.505 -1.095 17967 3155 1 9 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.821 0.229 17967 3156 1 9 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.040 -0.710 17967 3157 1 9 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.246 1.184 17967 3158 1 9 . 1 1 13 13 LYS H H 11 7.800 7.800 7.719 0.081 17967 3159 1 9 . 1 1 14 14 LEU N N 12 125.010 125.010 126.228 -1.218 17967 3160 1 9 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.213 -0.043 17967 3161 1 9 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.280 0.450 17967 3162 1 9 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.958 0.572 17967 3163 1 9 . 1 1 14 14 LEU H H 12 10.210 10.210 9.158 1.052 17967 3164 1 9 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.251 -0.031 17967 3165 1 9 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.526 1.704 17967 3166 1 9 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.134 -0.404 17967 3167 1 9 . 1 1 16 16 GLN N N 14 117.810 117.810 118.043 -0.233 17967 3168 1 9 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.155 0.035 17967 3169 1 9 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.984 0.045 17967 3170 1 9 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.387 0.243 17967 3171 1 9 . 1 1 16 16 GLN H H 14 7.110 7.110 8.350 -1.240 17967 3172 1 9 . 1 1 17 17 LEU N N 15 124.710 124.710 122.134 2.576 17967 3173 1 9 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.166 -0.156 17967 3174 1 9 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.890 0.440 17967 3175 1 9 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.676 0.354 17967 3176 1 9 . 1 1 17 17 LEU H H 15 8.010 8.010 8.058 -0.048 17967 3177 1 9 . 1 1 18 18 CYS N N 16 117.210 117.210 117.144 0.066 17967 3178 1 9 . 1 1 18 18 CYS HA H 16 3.750 3.750 3.986 -0.236 17967 3179 1 9 . 1 1 18 18 CYS CA C 16 64.730 64.730 64.008 0.722 17967 3180 1 9 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.992 0.238 17967 3181 1 9 . 1 1 18 18 CYS H H 16 8.380 8.380 8.560 -0.180 17967 3182 1 9 . 1 1 19 19 THR N N 17 117.810 117.810 116.500 1.310 17967 3183 1 9 . 1 1 19 19 THR HA H 17 4.000 4.000 4.018 -0.018 17967 3184 1 9 . 1 1 19 19 THR CA C 17 66.830 66.830 67.169 -0.339 17967 3185 1 9 . 1 1 19 19 THR CB C 17 68.830 68.830 68.566 0.264 17967 3186 1 9 . 1 1 19 19 THR H H 17 7.720 7.720 7.686 0.034 17967 3187 1 9 . 1 1 20 20 GLU N N 18 125.410 125.410 120.764 4.646 17967 3188 1 9 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.151 -0.081 17967 3189 1 9 . 1 1 20 20 GLU CA C 18 59.730 59.730 59.318 0.412 17967 3190 1 9 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.690 0.040 17967 3191 1 9 . 1 1 20 20 GLU H H 18 8.010 8.010 7.596 0.414 17967 3192 1 9 . 1 1 21 21 LEU N N 19 118.810 118.810 117.298 1.512 17967 3193 1 9 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.408 -0.108 17967 3194 1 9 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.606 -0.776 17967 3195 1 9 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.859 0.471 17967 3196 1 9 . 1 1 21 21 LEU H H 19 8.010 8.010 8.195 -0.185 17967 3197 1 9 . 1 1 22 22 GLN N N 20 118.310 118.310 115.775 2.535 17967 3198 1 9 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.083 -0.133 17967 3199 1 9 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.336 -0.606 17967 3200 1 9 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.308 -0.178 17967 3201 1 9 . 1 1 22 22 GLN H H 20 7.860 7.860 7.792 0.068 17967 3202 1 9 . 1 1 23 23 THR N N 21 115.910 115.910 112.441 3.469 17967 3203 1 9 . 1 1 23 23 THR HA H 21 4.950 4.950 4.634 0.316 17967 3204 1 9 . 1 1 23 23 THR CA C 21 58.530 58.530 60.063 -1.533 17967 3205 1 9 . 1 1 23 23 THR CB C 21 70.330 70.330 70.601 -0.271 17967 3206 1 9 . 1 1 23 23 THR H H 21 8.250 8.250 8.387 -0.137 17967 3207 1 9 . 1 1 24 24 THR N N 22 112.810 112.810 114.328 -1.518 17967 3208 1 9 . 1 1 24 24 THR HA H 22 4.880 4.880 4.638 0.242 17967 3209 1 9 . 1 1 24 24 THR CA C 22 59.730 59.730 60.341 -0.611 17967 3210 1 9 . 1 1 24 24 THR CB C 22 74.130 74.130 71.238 2.892 17967 3211 1 9 . 1 1 24 24 THR H H 22 8.660 8.660 7.878 0.782 17967 3212 1 9 . 1 1 25 25 ILE N N 23 123.710 123.710 120.336 3.374 17967 3213 1 9 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.689 0.091 17967 3214 1 9 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.192 -0.762 17967 3215 1 9 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.922 0.708 17967 3216 1 9 . 1 1 25 25 ILE H H 23 9.060 9.060 8.185 0.875 17967 3217 1 9 . 1 1 26 26 HIS N N 24 119.510 119.510 113.086 6.424 17967 3218 1 9 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.721 -0.281 17967 3219 1 9 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.358 1.671 17967 3220 1 9 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.061 1.768 17967 3221 1 9 . 1 1 26 26 HIS H H 24 7.040 7.040 7.403 -0.363 17967 3222 1 9 . 1 1 27 27 ASP N N 25 116.810 116.810 118.350 -1.540 17967 3223 1 9 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.675 0.085 17967 3224 1 9 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.333 0.097 17967 3225 1 9 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.996 1.333 17967 3226 1 9 . 1 1 27 27 ASP H H 25 7.250 7.250 7.627 -0.377 17967 3227 1 9 . 1 1 28 28 ILE N N 26 123.210 123.210 120.811 2.399 17967 3228 1 9 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.954 -0.024 17967 3229 1 9 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.660 0.370 17967 3230 1 9 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.640 -0.710 17967 3231 1 9 . 1 1 28 28 ILE H H 26 7.750 7.750 7.656 0.094 17967 3232 1 9 . 1 1 29 29 ILE N N 27 131.110 131.110 129.678 1.432 17967 3233 1 9 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.115 0.265 17967 3234 1 9 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.608 -0.777 17967 3235 1 9 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.946 0.685 17967 3236 1 9 . 1 1 29 29 ILE H H 27 8.270 8.270 8.293 -0.023 17967 3237 1 9 . 1 1 30 30 LEU N N 28 129.410 129.410 128.386 1.024 17967 3238 1 9 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.552 0.108 17967 3239 1 9 . 1 1 30 30 LEU CA C 28 52.530 52.530 52.973 -0.443 17967 3240 1 9 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.246 3.084 17967 3241 1 9 . 1 1 30 30 LEU H H 28 8.500 8.500 8.382 0.118 17967 3242 1 9 . 1 1 31 31 GLU N N 29 121.910 121.910 120.457 1.453 17967 3243 1 9 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.740 -0.060 17967 3244 1 9 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.338 0.592 17967 3245 1 9 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.327 0.703 17967 3246 1 9 . 1 1 31 31 GLU H H 29 8.860 8.860 8.244 0.616 17967 3247 1 9 . 1 1 32 32 CYS N N 30 125.710 125.710 120.370 5.340 17967 3248 1 9 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.893 -0.873 17967 3249 1 9 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.535 -1.305 17967 3250 1 9 . 1 1 32 32 CYS CB C 30 31.730 31.730 26.871 4.859 17967 3251 1 9 . 1 1 32 32 CYS H H 30 8.270 8.270 8.471 -0.201 17967 3252 1 9 . 1 1 33 33 VAL N N 31 132.310 132.310 128.770 3.540 17967 3253 1 9 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.104 -0.004 17967 3254 1 9 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.071 -0.841 17967 3255 1 9 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.974 -0.344 17967 3256 1 9 . 1 1 33 33 VAL H H 31 8.860 8.860 7.939 0.921 17967 3257 1 9 . 1 1 34 34 TYR N N 32 124.310 124.310 114.408 9.902 17967 3258 1 9 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.510 -0.070 17967 3259 1 9 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.789 1.241 17967 3260 1 9 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.319 1.811 17967 3261 1 9 . 1 1 34 34 TYR H H 32 8.590 8.590 7.094 1.496 17967 3262 1 9 . 1 1 35 35 CYS N N 33 119.810 119.810 112.610 7.200 17967 3263 1 9 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.700 0.140 17967 3264 1 9 . 1 1 35 35 CYS CA C 33 59.430 59.430 57.261 2.169 17967 3265 1 9 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.733 4.497 17967 3266 1 9 . 1 1 35 35 CYS H H 33 8.070 8.070 7.588 0.482 17967 3267 1 9 . 1 1 36 36 LYS N N 34 119.910 119.910 118.590 1.320 17967 3268 1 9 . 1 1 36 36 LYS HA H 34 4.190 4.190 4.018 0.172 17967 3269 1 9 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.998 0.832 17967 3270 1 9 . 1 1 36 36 LYS CB C 34 29.330 29.330 29.637 -0.308 17967 3271 1 9 . 1 1 36 36 LYS H H 34 7.860 7.860 7.788 0.072 17967 3272 1 9 . 1 1 37 37 GLN N N 35 120.710 120.710 118.107 2.603 17967 3273 1 9 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.517 -0.157 17967 3274 1 9 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.254 1.176 17967 3275 1 9 . 1 1 37 37 GLN CB C 35 29.630 29.630 30.685 -1.055 17967 3276 1 9 . 1 1 37 37 GLN H H 35 8.270 8.270 8.151 0.119 17967 3277 1 9 . 1 1 38 38 GLN N N 36 123.710 123.710 123.637 0.073 17967 3278 1 9 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.268 0.032 17967 3279 1 9 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.361 0.368 17967 3280 1 9 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.769 0.561 17967 3281 1 9 . 1 1 38 38 GLN H H 36 8.640 8.640 8.608 0.032 17967 3282 1 9 . 1 1 39 39 LEU N N 37 131.310 131.310 126.501 4.809 17967 3283 1 9 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.128 -0.018 17967 3284 1 9 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.482 1.848 17967 3285 1 9 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.423 -0.493 17967 3286 1 9 . 1 1 39 39 LEU H H 37 8.870 8.870 8.037 0.833 17967 3287 1 9 . 1 1 40 40 LEU N N 38 126.310 126.310 124.035 2.275 17967 3288 1 9 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.327 -0.017 17967 3289 1 9 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.611 -0.381 17967 3290 1 9 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.159 -0.029 17967 3291 1 9 . 1 1 40 40 LEU H H 38 9.850 9.850 8.370 1.480 17967 3292 1 9 . 1 1 41 41 ARG N N 39 127.110 127.110 126.092 1.018 17967 3293 1 9 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.652 -0.132 17967 3294 1 9 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.155 -1.325 17967 3295 1 9 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.305 -2.375 17967 3296 1 9 . 1 1 41 41 ARG H H 39 8.970 8.970 8.817 0.153 17967 3297 1 9 . 1 1 42 42 ARG N N 40 115.810 115.810 119.843 -4.033 17967 3298 1 9 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.218 -0.138 17967 3299 1 9 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.717 -0.587 17967 3300 1 9 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.834 -0.504 17967 3301 1 9 . 1 1 42 42 ARG H H 40 8.610 8.610 8.656 -0.046 17967 3302 1 9 . 1 1 43 43 GLU N N 41 119.910 119.910 117.698 2.212 17967 3303 1 9 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.434 -0.184 17967 3304 1 9 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.359 0.671 17967 3305 1 9 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.183 1.147 17967 3306 1 9 . 1 1 43 43 GLU H H 41 6.950 6.950 8.119 -1.169 17967 3307 1 9 . 1 1 44 44 VAL N N 42 125.010 125.010 120.451 4.559 17967 3308 1 9 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.660 -0.420 17967 3309 1 9 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.209 1.421 17967 3310 1 9 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.196 0.134 17967 3311 1 9 . 1 1 44 44 VAL H H 42 7.820 7.820 7.897 -0.077 17967 3312 1 9 . 1 1 45 45 TYR N N 43 118.410 118.410 119.362 -0.952 17967 3313 1 9 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.139 0.291 17967 3314 1 9 . 1 1 45 45 TYR CA C 43 58.830 58.830 60.389 -1.558 17967 3315 1 9 . 1 1 45 45 TYR CB C 43 36.730 36.730 36.975 -0.245 17967 3316 1 9 . 1 1 45 45 TYR H H 43 7.820 7.820 8.270 -0.450 17967 3317 1 9 . 1 1 46 46 ASP N N 44 122.410 122.410 120.289 2.121 17967 3318 1 9 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.343 0.257 17967 3319 1 9 . 1 1 46 46 ASP CA C 44 57.830 57.830 58.789 -0.959 17967 3320 1 9 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.492 0.538 17967 3321 1 9 . 1 1 46 46 ASP H H 44 8.540 8.540 7.935 0.605 17967 3322 1 9 . 1 1 47 47 PHE N N 45 126.210 126.210 118.580 7.630 17967 3323 1 9 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.153 -0.243 17967 3324 1 9 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.846 0.784 17967 3325 1 9 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.208 0.123 17967 3326 1 9 . 1 1 47 47 PHE H H 45 8.320 8.320 7.520 0.800 17967 3327 1 9 . 1 1 48 48 ALA N N 46 119.110 119.110 119.230 -0.120 17967 3328 1 9 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.359 0.161 17967 3329 1 9 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.819 0.411 17967 3330 1 9 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.798 -0.068 17967 3331 1 9 . 1 1 48 48 ALA H H 46 7.740 7.740 7.668 0.072 17967 3332 1 9 . 1 1 49 49 ARG N N 47 124.010 124.010 117.741 6.269 17967 3333 1 9 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.277 -0.227 17967 3334 1 9 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.628 2.002 17967 3335 1 9 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.489 -0.059 17967 3336 1 9 . 1 1 49 49 ARG H H 47 8.500 8.500 8.344 0.156 17967 3337 1 9 . 1 1 50 50 ARG N N 48 119.110 119.110 118.169 0.941 17967 3338 1 9 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.494 -0.484 17967 3339 1 9 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.831 2.299 17967 3340 1 9 . 1 1 50 50 ARG CB C 48 31.130 31.130 31.761 -0.631 17967 3341 1 9 . 1 1 50 50 ARG H H 48 7.940 7.940 7.767 0.173 17967 3342 1 9 . 1 1 51 51 ASP N N 49 120.910 120.910 120.607 0.303 17967 3343 1 9 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.767 -0.347 17967 3344 1 9 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.617 0.913 17967 3345 1 9 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.564 -0.634 17967 3346 1 9 . 1 1 51 51 ASP H H 49 7.950 7.950 8.485 -0.535 17967 3347 1 9 . 1 1 52 52 LEU N N 50 118.410 118.410 121.720 -3.310 17967 3348 1 9 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.748 -0.598 17967 3349 1 9 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.445 0.785 17967 3350 1 9 . 1 1 52 52 LEU CB C 50 41.130 41.130 43.455 -2.325 17967 3351 1 9 . 1 1 52 52 LEU H H 50 6.640 6.640 7.456 -0.816 17967 3352 1 9 . 1 1 53 53 CYS N N 51 117.410 117.410 118.953 -1.543 17967 3353 1 9 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.070 -0.140 17967 3354 1 9 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.015 2.915 17967 3355 1 9 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.711 -2.081 17967 3356 1 9 . 1 1 53 53 CYS H H 51 8.030 8.030 8.345 -0.315 17967 3357 1 9 . 1 1 54 54 ILE N N 52 125.110 125.110 122.244 2.866 17967 3358 1 9 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.312 -0.302 17967 3359 1 9 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.996 -2.366 17967 3360 1 9 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.989 -1.659 17967 3361 1 9 . 1 1 54 54 ILE H H 52 8.500 8.500 8.761 -0.261 17967 3362 1 9 . 1 1 55 55 VAL N N 53 127.010 127.010 123.654 3.356 17967 3363 1 9 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.732 -0.362 17967 3364 1 9 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.126 0.504 17967 3365 1 9 . 1 1 55 55 VAL CB C 53 34.230 34.230 33.195 1.035 17967 3366 1 9 . 1 1 55 55 VAL H H 53 8.130 8.130 8.101 0.029 17967 3367 1 9 . 1 1 56 56 TYR N N 54 124.910 124.910 126.826 -1.916 17967 3368 1 9 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.301 0.099 17967 3369 1 9 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.719 -0.389 17967 3370 1 9 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.565 1.466 17967 3371 1 9 . 1 1 56 56 TYR H H 54 8.700 8.700 8.668 0.032 17967 3372 1 9 . 1 1 57 57 ARG N N 55 123.810 123.810 125.456 -1.646 17967 3373 1 9 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.497 0.143 17967 3374 1 9 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.384 0.046 17967 3375 1 9 . 1 1 57 57 ARG CB C 55 32.830 32.830 31.241 1.589 17967 3376 1 9 . 1 1 57 57 ARG H H 55 8.870 8.870 8.368 0.502 17967 3377 1 9 . 1 1 58 58 ASP N N 56 129.110 129.110 124.980 4.130 17967 3378 1 9 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.323 -0.013 17967 3379 1 9 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.310 -0.480 17967 3380 1 9 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.264 -0.134 17967 3381 1 9 . 1 1 58 58 ASP H H 56 9.620 9.620 8.884 0.736 17967 3382 1 9 . 1 1 59 59 GLY N N 57 104.510 104.510 106.812 -2.302 17967 3383 1 9 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.300 0.330 17967 3384 1 9 . 1 1 59 59 GLY H H 57 8.720 8.720 8.288 0.432 17967 3385 1 9 . 1 1 60 60 ASN N N 58 122.210 122.210 118.876 3.334 17967 3386 1 9 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.264 0.136 17967 3387 1 9 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.908 -0.578 17967 3388 1 9 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.321 -0.891 17967 3389 1 9 . 1 1 60 60 ASN H H 58 8.120 8.120 7.931 0.189 17967 3390 1 9 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.633 0.157 17967 3391 1 9 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.359 -0.329 17967 3392 1 9 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.202 2.328 17967 3393 1 9 . 1 1 62 62 TYR N N 60 119.810 119.810 122.623 -2.813 17967 3394 1 9 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.509 -0.149 17967 3395 1 9 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.377 1.853 17967 3396 1 9 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.485 0.945 17967 3397 1 9 . 1 1 62 62 TYR H H 60 8.590 8.590 7.641 0.949 17967 3398 1 9 . 1 1 63 63 ALA N N 61 123.810 123.810 121.607 2.203 17967 3399 1 9 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.301 0.119 17967 3400 1 9 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.202 0.128 17967 3401 1 9 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.876 -0.546 17967 3402 1 9 . 1 1 63 63 ALA H H 61 8.010 8.010 8.843 -0.833 17967 3403 1 9 . 1 1 64 64 VAL N N 62 120.510 120.510 118.362 2.148 17967 3404 1 9 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.253 1.247 17967 3405 1 9 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.246 -0.016 17967 3406 1 9 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.315 3.015 17967 3407 1 9 . 1 1 64 64 VAL H H 62 6.380 6.380 8.475 -2.095 17967 3408 1 9 . 1 1 65 65 CYS N N 63 130.310 130.310 125.956 4.354 17967 3409 1 9 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.432 0.128 17967 3410 1 9 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.400 0.030 17967 3411 1 9 . 1 1 65 65 CYS CB C 63 31.130 31.130 28.625 2.506 17967 3412 1 9 . 1 1 65 65 CYS H H 63 9.430 9.430 8.288 1.142 17967 3413 1 9 . 1 1 66 66 ASP N N 64 121.110 121.110 120.019 1.091 17967 3414 1 9 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.326 0.084 17967 3415 1 9 . 1 1 66 66 ASP CA C 64 58.230 58.230 57.579 0.651 17967 3416 1 9 . 1 1 66 66 ASP CB C 64 42.330 42.330 41.039 1.291 17967 3417 1 9 . 1 1 66 66 ASP H H 64 9.120 9.120 8.711 0.409 17967 3418 1 9 . 1 1 67 67 LYS N N 65 122.110 122.110 118.539 3.571 17967 3419 1 9 . 1 1 67 67 LYS HA H 65 4.010 4.010 4.248 -0.238 17967 3420 1 9 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.731 1.399 17967 3421 1 9 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.707 0.123 17967 3422 1 9 . 1 1 67 67 LYS H H 65 8.330 8.330 7.592 0.738 17967 3423 1 9 . 1 1 68 68 CYS N N 66 125.610 125.610 119.276 6.334 17967 3424 1 9 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.122 -0.012 17967 3425 1 9 . 1 1 68 68 CYS CA C 66 63.530 63.530 61.197 2.333 17967 3426 1 9 . 1 1 68 68 CYS CB C 66 30.730 30.730 25.729 5.001 17967 3427 1 9 . 1 1 68 68 CYS H H 66 8.700 8.700 7.698 1.002 17967 3428 1 9 . 1 1 69 69 LEU N N 67 125.310 125.310 122.051 3.259 17967 3429 1 9 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.034 -0.034 17967 3430 1 9 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.364 0.166 17967 3431 1 9 . 1 1 69 69 LEU CB C 67 42.130 42.130 42.133 -0.003 17967 3432 1 9 . 1 1 69 69 LEU H H 67 8.470 8.470 8.240 0.230 17967 3433 1 9 . 1 1 70 70 LYS N N 68 119.010 119.010 117.742 1.268 17967 3434 1 9 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.155 -0.175 17967 3435 1 9 . 1 1 70 70 LYS CA C 68 58.830 58.830 57.927 0.903 17967 3436 1 9 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.459 0.672 17967 3437 1 9 . 1 1 70 70 LYS H H 68 7.810 7.810 7.821 -0.011 17967 3438 1 9 . 1 1 71 71 PHE N N 69 121.710 121.710 119.481 2.229 17967 3439 1 9 . 1 1 71 71 PHE HA H 69 4.280 4.280 3.882 0.398 17967 3440 1 9 . 1 1 71 71 PHE CA C 69 59.930 59.930 61.178 -1.248 17967 3441 1 9 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.650 -0.220 17967 3442 1 9 . 1 1 71 71 PHE H H 69 7.810 7.810 7.810 0.000 17967 3443 1 9 . 1 1 72 72 TYR N N 70 120.110 120.110 115.589 4.521 17967 3444 1 9 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.627 -0.307 17967 3445 1 9 . 1 1 72 72 TYR CA C 70 60.330 60.330 57.791 2.539 17967 3446 1 9 . 1 1 72 72 TYR CB C 70 40.430 40.430 39.813 0.617 17967 3447 1 9 . 1 1 72 72 TYR H H 70 8.280 8.280 7.963 0.317 17967 3448 1 9 . 1 1 73 73 SER N N 71 117.210 117.210 117.516 -0.306 17967 3449 1 9 . 1 1 73 73 SER HA H 71 4.320 4.320 4.609 -0.289 17967 3450 1 9 . 1 1 73 73 SER CA C 71 60.130 60.130 58.977 1.153 17967 3451 1 9 . 1 1 73 73 SER CB C 71 63.630 63.630 64.841 -1.211 17967 3452 1 9 . 1 1 73 73 SER H H 71 7.870 7.870 8.444 -0.574 17967 3453 1 9 . 1 1 74 74 LYS N N 72 122.810 122.810 123.839 -1.029 17967 3454 1 9 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.246 0.024 17967 3455 1 9 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.072 -0.142 17967 3456 1 9 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.715 -0.085 17967 3457 1 9 . 1 1 74 74 LYS H H 72 7.800 7.800 8.547 -0.747 17967 3458 1 9 . 1 1 75 75 ILE N N 73 121.610 121.610 114.776 6.834 17967 3459 1 9 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.369 -0.259 17967 3460 1 9 . 1 1 75 75 ILE CA C 73 61.830 61.830 61.006 0.824 17967 3461 1 9 . 1 1 75 75 ILE CB C 73 38.630 38.630 37.513 1.117 17967 3462 1 9 . 1 1 75 75 ILE H H 73 7.750 7.750 7.571 0.179 17967 3463 1 9 . 1 1 76 76 SER N N 74 120.410 120.410 120.795 -0.385 17967 3464 1 9 . 1 1 76 76 SER HA H 74 4.300 4.300 4.559 -0.259 17967 3465 1 9 . 1 1 76 76 SER CA C 74 59.330 59.330 59.262 0.068 17967 3466 1 9 . 1 1 76 76 SER CB C 74 63.830 63.830 64.597 -0.768 17967 3467 1 9 . 1 1 76 76 SER H H 74 8.130 8.130 8.630 -0.500 17967 3468 1 9 . 1 1 77 77 GLU N N 75 123.810 123.810 121.736 2.074 17967 3469 1 9 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.644 -0.454 17967 3470 1 9 . 1 1 77 77 GLU CA C 75 57.330 57.330 55.882 1.448 17967 3471 1 9 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.032 0.098 17967 3472 1 9 . 1 1 77 77 GLU H H 75 8.270 8.270 8.370 -0.100 17967 3473 1 9 . 1 1 78 78 TYR N N 76 122.410 122.410 124.451 -2.041 17967 3474 1 9 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.743 -0.283 17967 3475 1 9 . 1 1 78 78 TYR CA C 76 58.130 58.130 56.749 1.381 17967 3476 1 9 . 1 1 78 78 TYR CB C 76 38.630 38.630 41.147 -2.517 17967 3477 1 9 . 1 1 78 78 TYR H H 76 7.980 7.980 8.532 -0.552 17967 3478 1 9 . 1 1 79 79 ARG N N 77 124.710 124.710 127.148 -2.438 17967 3479 1 9 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.817 -0.617 17967 3480 1 9 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.552 0.478 17967 3481 1 9 . 1 1 79 79 ARG CB C 77 31.030 31.030 28.886 2.144 17967 3482 1 9 . 1 1 79 79 ARG H H 77 7.880 7.880 8.443 -0.563 17967 3483 1 9 . 1 1 80 80 HIS N N 78 122.110 122.110 120.958 1.152 17967 3484 1 9 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.388 0.122 17967 3485 1 9 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.776 0.554 17967 3486 1 9 . 1 1 80 80 HIS CB C 78 30.830 30.830 29.734 1.096 17967 3487 1 9 . 1 1 80 80 HIS H H 78 8.120 8.120 8.314 -0.194 17967 3488 1 9 . 1 1 81 81 TYR N N 79 123.610 123.610 118.724 4.886 17967 3489 1 9 . 1 1 81 81 TYR HA H 79 4.590 4.590 3.903 0.687 17967 3490 1 9 . 1 1 81 81 TYR CA C 79 57.830 57.830 58.464 -0.634 17967 3491 1 9 . 1 1 81 81 TYR CB C 79 39.130 39.130 38.005 1.125 17967 3492 1 9 . 1 1 81 81 TYR H H 79 7.970 7.970 7.044 0.926 17967 3493 1 10 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.062 0.228 17967 3494 1 10 . 1 1 2 2 ALA CA C 0 52.530 52.530 53.391 -0.861 17967 3495 1 10 . 1 1 2 2 ALA CB C 0 19.730 19.730 19.420 0.310 17967 3496 1 10 . 1 1 3 3 MET N N 1 122.210 122.210 119.307 2.903 17967 3497 1 10 . 1 1 3 3 MET HA H 1 4.300 4.300 4.344 -0.044 17967 3498 1 10 . 1 1 3 3 MET CA C 1 56.030 56.030 55.234 0.796 17967 3499 1 10 . 1 1 3 3 MET CB C 1 33.430 33.430 32.642 0.788 17967 3500 1 10 . 1 1 3 3 MET H H 1 8.370 8.370 7.685 0.685 17967 3501 1 10 . 1 1 4 4 PHE N N 2 122.310 122.310 124.741 -2.431 17967 3502 1 10 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.745 -0.115 17967 3503 1 10 . 1 1 4 4 PHE CA C 2 57.330 57.330 55.736 1.594 17967 3504 1 10 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.006 -1.576 17967 3505 1 10 . 1 1 4 4 PHE H H 2 8.370 8.370 8.536 -0.166 17967 3506 1 10 . 1 1 5 5 GLN N N 3 123.510 123.510 119.623 3.887 17967 3507 1 10 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.438 -0.258 17967 3508 1 10 . 1 1 5 5 GLN CA C 3 56.130 56.130 54.448 1.682 17967 3509 1 10 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.330 -0.400 17967 3510 1 10 . 1 1 5 5 GLN H H 3 8.260 8.260 8.190 0.070 17967 3511 1 10 . 1 1 6 6 ASP N N 4 125.010 125.010 120.008 5.002 17967 3512 1 10 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.740 0.050 17967 3513 1 10 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.437 0.493 17967 3514 1 10 . 1 1 6 6 ASP CB C 4 41.730 41.730 42.007 -0.277 17967 3515 1 10 . 1 1 6 6 ASP H H 4 8.420 8.420 8.344 0.076 17967 3516 1 10 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.560 -0.440 17967 3517 1 10 . 1 1 7 7 PRO CA C 5 64.030 64.030 63.416 0.614 17967 3518 1 10 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.734 -0.404 17967 3519 1 10 . 1 1 8 8 GLN N N 6 119.710 119.710 118.353 1.357 17967 3520 1 10 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.308 -0.148 17967 3521 1 10 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.422 1.208 17967 3522 1 10 . 1 1 8 8 GLN CB C 6 29.330 29.330 26.808 2.522 17967 3523 1 10 . 1 1 8 8 GLN H H 6 8.430 8.430 8.312 0.118 17967 3524 1 10 . 1 1 9 9 GLU N N 7 122.110 122.110 120.194 1.916 17967 3525 1 10 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.246 -0.046 17967 3526 1 10 . 1 1 9 9 GLU CA C 7 56.030 56.030 56.097 -0.067 17967 3527 1 10 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.131 0.399 17967 3528 1 10 . 1 1 9 9 GLU H H 7 7.940 7.940 7.716 0.224 17967 3529 1 10 . 1 1 10 10 ARG N N 8 123.410 123.410 119.091 4.319 17967 3530 1 10 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.652 -0.252 17967 3531 1 10 . 1 1 10 10 ARG CA C 8 54.130 54.130 53.609 0.521 17967 3532 1 10 . 1 1 10 10 ARG CB C 8 29.330 29.330 30.374 -1.044 17967 3533 1 10 . 1 1 10 10 ARG H H 8 7.660 7.660 7.557 0.103 17967 3534 1 10 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.637 -0.287 17967 3535 1 10 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.656 0.874 17967 3536 1 10 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.532 -0.902 17967 3537 1 10 . 1 1 12 12 ARG N N 10 123.810 123.810 115.591 8.219 17967 3538 1 10 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.787 -0.117 17967 3539 1 10 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.960 0.870 17967 3540 1 10 . 1 1 12 12 ARG CB C 10 32.530 32.530 32.123 0.407 17967 3541 1 10 . 1 1 12 12 ARG H H 10 8.710 8.710 8.587 0.123 17967 3542 1 10 . 1 1 13 13 LYS N N 11 118.410 118.410 119.394 -0.984 17967 3543 1 10 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.795 0.255 17967 3544 1 10 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.504 -1.174 17967 3545 1 10 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.833 0.597 17967 3546 1 10 . 1 1 13 13 LYS H H 11 7.800 7.800 7.688 0.112 17967 3547 1 10 . 1 1 14 14 LEU N N 12 125.010 125.010 126.358 -1.348 17967 3548 1 10 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.224 -0.054 17967 3549 1 10 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.726 0.004 17967 3550 1 10 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.773 0.756 17967 3551 1 10 . 1 1 14 14 LEU H H 12 10.210 10.210 9.213 0.997 17967 3552 1 10 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.276 -0.056 17967 3553 1 10 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.703 1.527 17967 3554 1 10 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.024 -0.294 17967 3555 1 10 . 1 1 16 16 GLN N N 14 117.810 117.810 117.507 0.303 17967 3556 1 10 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.139 0.051 17967 3557 1 10 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.979 0.051 17967 3558 1 10 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.201 0.429 17967 3559 1 10 . 1 1 16 16 GLN H H 14 7.110 7.110 8.405 -1.295 17967 3560 1 10 . 1 1 17 17 LEU N N 15 124.710 124.710 122.287 2.423 17967 3561 1 10 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.194 -0.184 17967 3562 1 10 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.924 0.406 17967 3563 1 10 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.731 0.299 17967 3564 1 10 . 1 1 17 17 LEU H H 15 8.010 8.010 8.132 -0.122 17967 3565 1 10 . 1 1 18 18 CYS N N 16 117.210 117.210 117.248 -0.038 17967 3566 1 10 . 1 1 18 18 CYS HA H 16 3.750 3.750 4.013 -0.263 17967 3567 1 10 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.856 0.874 17967 3568 1 10 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.044 0.186 17967 3569 1 10 . 1 1 18 18 CYS H H 16 8.380 8.380 8.436 -0.056 17967 3570 1 10 . 1 1 19 19 THR N N 17 117.810 117.810 116.509 1.301 17967 3571 1 10 . 1 1 19 19 THR HA H 17 4.000 4.000 4.002 -0.002 17967 3572 1 10 . 1 1 19 19 THR CA C 17 66.830 66.830 66.935 -0.105 17967 3573 1 10 . 1 1 19 19 THR CB C 17 68.830 68.830 68.664 0.166 17967 3574 1 10 . 1 1 19 19 THR H H 17 7.720 7.720 7.749 -0.029 17967 3575 1 10 . 1 1 20 20 GLU N N 18 125.410 125.410 121.284 4.126 17967 3576 1 10 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.191 -0.121 17967 3577 1 10 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.885 0.845 17967 3578 1 10 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.579 0.151 17967 3579 1 10 . 1 1 20 20 GLU H H 18 8.010 8.010 7.596 0.414 17967 3580 1 10 . 1 1 21 21 LEU N N 19 118.810 118.810 116.903 1.907 17967 3581 1 10 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.348 -0.048 17967 3582 1 10 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.400 -0.570 17967 3583 1 10 . 1 1 21 21 LEU CB C 19 42.330 42.330 42.004 0.326 17967 3584 1 10 . 1 1 21 21 LEU H H 19 8.010 8.010 8.072 -0.062 17967 3585 1 10 . 1 1 22 22 GLN N N 20 118.310 118.310 115.701 2.609 17967 3586 1 10 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.063 -0.113 17967 3587 1 10 . 1 1 22 22 GLN CA C 20 56.730 56.730 56.993 -0.263 17967 3588 1 10 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.076 0.054 17967 3589 1 10 . 1 1 22 22 GLN H H 20 7.860 7.860 7.614 0.246 17967 3590 1 10 . 1 1 23 23 THR N N 21 115.910 115.910 111.050 4.860 17967 3591 1 10 . 1 1 23 23 THR HA H 21 4.950 4.950 4.572 0.378 17967 3592 1 10 . 1 1 23 23 THR CA C 21 58.530 58.530 59.790 -1.260 17967 3593 1 10 . 1 1 23 23 THR CB C 21 70.330 70.330 70.177 0.153 17967 3594 1 10 . 1 1 23 23 THR H H 21 8.250 8.250 8.391 -0.141 17967 3595 1 10 . 1 1 24 24 THR N N 22 112.810 112.810 114.465 -1.655 17967 3596 1 10 . 1 1 24 24 THR HA H 22 4.880 4.880 4.613 0.267 17967 3597 1 10 . 1 1 24 24 THR CA C 22 59.730 59.730 60.478 -0.748 17967 3598 1 10 . 1 1 24 24 THR CB C 22 74.130 74.130 71.322 2.808 17967 3599 1 10 . 1 1 24 24 THR H H 22 8.660 8.660 7.966 0.694 17967 3600 1 10 . 1 1 25 25 ILE N N 23 123.710 123.710 121.110 2.600 17967 3601 1 10 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.716 0.064 17967 3602 1 10 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.225 -0.795 17967 3603 1 10 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.834 0.796 17967 3604 1 10 . 1 1 25 25 ILE H H 23 9.060 9.060 8.300 0.760 17967 3605 1 10 . 1 1 26 26 HIS N N 24 119.510 119.510 114.026 5.484 17967 3606 1 10 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.704 -0.264 17967 3607 1 10 . 1 1 26 26 HIS CA C 24 57.030 57.030 56.168 0.862 17967 3608 1 10 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.076 1.754 17967 3609 1 10 . 1 1 26 26 HIS H H 24 7.040 7.040 7.459 -0.419 17967 3610 1 10 . 1 1 27 27 ASP N N 25 116.810 116.810 118.760 -1.950 17967 3611 1 10 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.658 0.102 17967 3612 1 10 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.131 0.299 17967 3613 1 10 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.017 1.313 17967 3614 1 10 . 1 1 27 27 ASP H H 25 7.250 7.250 7.594 -0.344 17967 3615 1 10 . 1 1 28 28 ILE N N 26 123.210 123.210 121.671 1.539 17967 3616 1 10 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.896 0.034 17967 3617 1 10 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.478 0.552 17967 3618 1 10 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.898 -0.968 17967 3619 1 10 . 1 1 28 28 ILE H H 26 7.750 7.750 7.814 -0.064 17967 3620 1 10 . 1 1 29 29 ILE N N 27 131.110 131.110 128.232 2.878 17967 3621 1 10 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.106 0.274 17967 3622 1 10 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.869 -1.039 17967 3623 1 10 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.629 1.001 17967 3624 1 10 . 1 1 29 29 ILE H H 27 8.270 8.270 8.272 -0.002 17967 3625 1 10 . 1 1 30 30 LEU N N 28 129.410 129.410 129.531 -0.121 17967 3626 1 10 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.547 0.113 17967 3627 1 10 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.416 -0.886 17967 3628 1 10 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.391 2.939 17967 3629 1 10 . 1 1 30 30 LEU H H 28 8.500 8.500 8.398 0.102 17967 3630 1 10 . 1 1 31 31 GLU N N 29 121.910 121.910 121.362 0.548 17967 3631 1 10 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.691 -0.011 17967 3632 1 10 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.316 0.614 17967 3633 1 10 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.441 0.589 17967 3634 1 10 . 1 1 31 31 GLU H H 29 8.860 8.860 8.230 0.630 17967 3635 1 10 . 1 1 32 32 CYS N N 30 125.710 125.710 120.473 5.237 17967 3636 1 10 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.879 -0.859 17967 3637 1 10 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.629 -1.399 17967 3638 1 10 . 1 1 32 32 CYS CB C 30 31.730 31.730 26.802 4.928 17967 3639 1 10 . 1 1 32 32 CYS H H 30 8.270 8.270 8.512 -0.242 17967 3640 1 10 . 1 1 33 33 VAL N N 31 132.310 132.310 128.643 3.667 17967 3641 1 10 . 1 1 33 33 VAL HA H 31 3.100 3.100 2.992 0.108 17967 3642 1 10 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.605 -1.375 17967 3643 1 10 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.850 -0.220 17967 3644 1 10 . 1 1 33 33 VAL H H 31 8.860 8.860 8.101 0.759 17967 3645 1 10 . 1 1 34 34 TYR N N 32 124.310 124.310 116.753 7.557 17967 3646 1 10 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.623 -0.183 17967 3647 1 10 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.138 0.892 17967 3648 1 10 . 1 1 34 34 TYR CB C 32 40.130 40.130 37.815 2.315 17967 3649 1 10 . 1 1 34 34 TYR H H 32 8.590 8.590 7.430 1.160 17967 3650 1 10 . 1 1 35 35 CYS N N 33 119.810 119.810 116.569 3.241 17967 3651 1 10 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.631 0.209 17967 3652 1 10 . 1 1 35 35 CYS CA C 33 59.430 59.430 59.264 0.166 17967 3653 1 10 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.670 3.560 17967 3654 1 10 . 1 1 35 35 CYS H H 33 8.070 8.070 7.570 0.500 17967 3655 1 10 . 1 1 36 36 LYS N N 34 119.910 119.910 115.182 4.728 17967 3656 1 10 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.878 0.312 17967 3657 1 10 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.205 0.625 17967 3658 1 10 . 1 1 36 36 LYS CB C 34 29.330 29.330 29.949 -0.619 17967 3659 1 10 . 1 1 36 36 LYS H H 34 7.860 7.860 8.199 -0.339 17967 3660 1 10 . 1 1 37 37 GLN N N 35 120.710 120.710 114.203 6.507 17967 3661 1 10 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.428 -0.068 17967 3662 1 10 . 1 1 37 37 GLN CA C 35 55.430 55.430 53.974 1.456 17967 3663 1 10 . 1 1 37 37 GLN CB C 35 29.630 29.630 30.135 -0.505 17967 3664 1 10 . 1 1 37 37 GLN H H 35 8.270 8.270 7.699 0.571 17967 3665 1 10 . 1 1 38 38 GLN N N 36 123.710 123.710 124.439 -0.729 17967 3666 1 10 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.141 0.159 17967 3667 1 10 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.443 0.287 17967 3668 1 10 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.964 0.366 17967 3669 1 10 . 1 1 38 38 GLN H H 36 8.640 8.640 8.642 -0.002 17967 3670 1 10 . 1 1 39 39 LEU N N 37 131.310 131.310 127.886 3.424 17967 3671 1 10 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.149 -0.039 17967 3672 1 10 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.627 1.703 17967 3673 1 10 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.510 -0.579 17967 3674 1 10 . 1 1 39 39 LEU H H 37 8.870 8.870 7.817 1.053 17967 3675 1 10 . 1 1 40 40 LEU N N 38 126.310 126.310 124.377 1.933 17967 3676 1 10 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.255 0.055 17967 3677 1 10 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.817 -0.587 17967 3678 1 10 . 1 1 40 40 LEU CB C 38 43.130 43.130 42.949 0.181 17967 3679 1 10 . 1 1 40 40 LEU H H 38 9.850 9.850 8.294 1.556 17967 3680 1 10 . 1 1 41 41 ARG N N 39 127.110 127.110 125.471 1.639 17967 3681 1 10 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.728 -0.208 17967 3682 1 10 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.411 -1.581 17967 3683 1 10 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.740 -2.810 17967 3684 1 10 . 1 1 41 41 ARG H H 39 8.970 8.970 8.867 0.103 17967 3685 1 10 . 1 1 42 42 ARG N N 40 115.810 115.810 117.767 -1.957 17967 3686 1 10 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.175 -0.095 17967 3687 1 10 . 1 1 42 42 ARG CA C 40 59.130 59.130 60.005 -0.875 17967 3688 1 10 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.837 -0.507 17967 3689 1 10 . 1 1 42 42 ARG H H 40 8.610 8.610 8.504 0.106 17967 3690 1 10 . 1 1 43 43 GLU N N 41 119.910 119.910 119.112 0.798 17967 3691 1 10 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.098 0.152 17967 3692 1 10 . 1 1 43 43 GLU CA C 41 59.030 59.030 59.140 -0.110 17967 3693 1 10 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.453 0.877 17967 3694 1 10 . 1 1 43 43 GLU H H 41 6.950 6.950 7.903 -0.953 17967 3695 1 10 . 1 1 44 44 VAL N N 42 125.010 125.010 120.026 4.984 17967 3696 1 10 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.552 -0.312 17967 3697 1 10 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.048 1.582 17967 3698 1 10 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.621 -0.291 17967 3699 1 10 . 1 1 44 44 VAL H H 42 7.820 7.820 7.581 0.239 17967 3700 1 10 . 1 1 45 45 TYR N N 43 118.410 118.410 118.411 -0.001 17967 3701 1 10 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.234 0.196 17967 3702 1 10 . 1 1 45 45 TYR CA C 43 58.830 58.830 59.736 -0.905 17967 3703 1 10 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.410 -0.680 17967 3704 1 10 . 1 1 45 45 TYR H H 43 7.820 7.820 7.915 -0.095 17967 3705 1 10 . 1 1 46 46 ASP N N 44 122.410 122.410 121.029 1.381 17967 3706 1 10 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.364 0.236 17967 3707 1 10 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.746 0.084 17967 3708 1 10 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.036 0.994 17967 3709 1 10 . 1 1 46 46 ASP H H 44 8.540 8.540 8.342 0.198 17967 3710 1 10 . 1 1 47 47 PHE N N 45 126.210 126.210 119.069 7.141 17967 3711 1 10 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.161 -0.251 17967 3712 1 10 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.611 1.019 17967 3713 1 10 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.197 0.133 17967 3714 1 10 . 1 1 47 47 PHE H H 45 8.320 8.320 7.601 0.719 17967 3715 1 10 . 1 1 48 48 ALA N N 46 119.110 119.110 119.402 -0.292 17967 3716 1 10 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.354 0.166 17967 3717 1 10 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.746 0.484 17967 3718 1 10 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.728 0.002 17967 3719 1 10 . 1 1 48 48 ALA H H 46 7.740 7.740 8.120 -0.380 17967 3720 1 10 . 1 1 49 49 ARG N N 47 124.010 124.010 118.210 5.800 17967 3721 1 10 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.291 -0.241 17967 3722 1 10 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.239 2.392 17967 3723 1 10 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.509 -0.079 17967 3724 1 10 . 1 1 49 49 ARG H H 47 8.500 8.500 8.222 0.278 17967 3725 1 10 . 1 1 50 50 ARG N N 48 119.110 119.110 117.669 1.441 17967 3726 1 10 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.547 -0.537 17967 3727 1 10 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.742 2.388 17967 3728 1 10 . 1 1 50 50 ARG CB C 48 31.130 31.130 32.259 -1.129 17967 3729 1 10 . 1 1 50 50 ARG H H 48 7.940 7.940 7.737 0.203 17967 3730 1 10 . 1 1 51 51 ASP N N 49 120.910 120.910 119.843 1.067 17967 3731 1 10 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.793 -0.373 17967 3732 1 10 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.739 0.791 17967 3733 1 10 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.561 -0.631 17967 3734 1 10 . 1 1 51 51 ASP H H 49 7.950 7.950 8.413 -0.463 17967 3735 1 10 . 1 1 52 52 LEU N N 50 118.410 118.410 123.430 -5.020 17967 3736 1 10 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.588 -0.438 17967 3737 1 10 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.247 0.983 17967 3738 1 10 . 1 1 52 52 LEU CB C 50 41.130 41.130 44.304 -3.174 17967 3739 1 10 . 1 1 52 52 LEU H H 50 6.640 6.640 7.508 -0.868 17967 3740 1 10 . 1 1 53 53 CYS N N 51 117.410 117.410 116.728 0.682 17967 3741 1 10 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.356 -0.426 17967 3742 1 10 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.043 2.887 17967 3743 1 10 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.803 -2.173 17967 3744 1 10 . 1 1 53 53 CYS H H 51 8.030 8.030 8.283 -0.253 17967 3745 1 10 . 1 1 54 54 ILE N N 52 125.110 125.110 123.505 1.605 17967 3746 1 10 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.301 -0.291 17967 3747 1 10 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.885 -2.255 17967 3748 1 10 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.935 -1.605 17967 3749 1 10 . 1 1 54 54 ILE H H 52 8.500 8.500 9.020 -0.520 17967 3750 1 10 . 1 1 55 55 VAL N N 53 127.010 127.010 123.043 3.967 17967 3751 1 10 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.689 -0.319 17967 3752 1 10 . 1 1 55 55 VAL CA C 53 60.630 60.630 59.549 1.081 17967 3753 1 10 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.376 2.854 17967 3754 1 10 . 1 1 55 55 VAL H H 53 8.130 8.130 8.077 0.053 17967 3755 1 10 . 1 1 56 56 TYR N N 54 124.910 124.910 127.760 -2.850 17967 3756 1 10 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.303 0.097 17967 3757 1 10 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.575 -0.245 17967 3758 1 10 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.154 1.876 17967 3759 1 10 . 1 1 56 56 TYR H H 54 8.700 8.700 8.601 0.099 17967 3760 1 10 . 1 1 57 57 ARG N N 55 123.810 123.810 124.516 -0.706 17967 3761 1 10 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.396 0.244 17967 3762 1 10 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.701 -0.271 17967 3763 1 10 . 1 1 57 57 ARG CB C 55 32.830 32.830 31.073 1.758 17967 3764 1 10 . 1 1 57 57 ARG H H 55 8.870 8.870 8.273 0.597 17967 3765 1 10 . 1 1 58 58 ASP N N 56 129.110 129.110 124.685 4.425 17967 3766 1 10 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.289 0.021 17967 3767 1 10 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.809 -0.979 17967 3768 1 10 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.130 0.000 17967 3769 1 10 . 1 1 58 58 ASP H H 56 9.620 9.620 9.106 0.514 17967 3770 1 10 . 1 1 59 59 GLY N N 57 104.510 104.510 106.758 -2.248 17967 3771 1 10 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.179 0.451 17967 3772 1 10 . 1 1 59 59 GLY H H 57 8.720 8.720 8.235 0.485 17967 3773 1 10 . 1 1 60 60 ASN N N 58 122.210 122.210 119.446 2.764 17967 3774 1 10 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.180 0.220 17967 3775 1 10 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.704 -0.374 17967 3776 1 10 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.684 -0.255 17967 3777 1 10 . 1 1 60 60 ASN H H 58 8.120 8.120 8.027 0.093 17967 3778 1 10 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.850 -0.060 17967 3779 1 10 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.554 -0.524 17967 3780 1 10 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.308 2.222 17967 3781 1 10 . 1 1 62 62 TYR N N 60 119.810 119.810 122.774 -2.964 17967 3782 1 10 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.523 -0.163 17967 3783 1 10 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.385 1.845 17967 3784 1 10 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.443 0.987 17967 3785 1 10 . 1 1 62 62 TYR H H 60 8.590 8.590 7.668 0.922 17967 3786 1 10 . 1 1 63 63 ALA N N 61 123.810 123.810 121.711 2.099 17967 3787 1 10 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.106 0.314 17967 3788 1 10 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.334 -0.003 17967 3789 1 10 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.745 -0.415 17967 3790 1 10 . 1 1 63 63 ALA H H 61 8.010 8.010 8.696 -0.686 17967 3791 1 10 . 1 1 64 64 VAL N N 62 120.510 120.510 118.082 2.428 17967 3792 1 10 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.223 1.277 17967 3793 1 10 . 1 1 64 64 VAL CA C 62 61.230 61.230 60.962 0.268 17967 3794 1 10 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.361 2.969 17967 3795 1 10 . 1 1 64 64 VAL H H 62 6.380 6.380 8.376 -1.996 17967 3796 1 10 . 1 1 65 65 CYS N N 63 130.310 130.310 125.652 4.658 17967 3797 1 10 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.402 0.158 17967 3798 1 10 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.258 0.172 17967 3799 1 10 . 1 1 65 65 CYS CB C 63 31.130 31.130 29.212 1.918 17967 3800 1 10 . 1 1 65 65 CYS H H 63 9.430 9.430 8.174 1.256 17967 3801 1 10 . 1 1 66 66 ASP N N 64 121.110 121.110 122.256 -1.146 17967 3802 1 10 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.212 0.198 17967 3803 1 10 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.244 -0.014 17967 3804 1 10 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.996 1.334 17967 3805 1 10 . 1 1 66 66 ASP H H 64 9.120 9.120 9.223 -0.103 17967 3806 1 10 . 1 1 67 67 LYS N N 65 122.110 122.110 118.236 3.874 17967 3807 1 10 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.900 0.110 17967 3808 1 10 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.098 2.032 17967 3809 1 10 . 1 1 67 67 LYS CB C 65 32.830 32.830 31.692 1.138 17967 3810 1 10 . 1 1 67 67 LYS H H 65 8.330 8.330 7.868 0.462 17967 3811 1 10 . 1 1 68 68 CYS N N 66 125.610 125.610 119.105 6.505 17967 3812 1 10 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.423 -0.313 17967 3813 1 10 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.280 1.250 17967 3814 1 10 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.506 4.224 17967 3815 1 10 . 1 1 68 68 CYS H H 66 8.700 8.700 7.421 1.279 17967 3816 1 10 . 1 1 69 69 LEU N N 67 125.310 125.310 120.569 4.741 17967 3817 1 10 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.004 -0.004 17967 3818 1 10 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.198 0.332 17967 3819 1 10 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.775 0.355 17967 3820 1 10 . 1 1 69 69 LEU H H 67 8.470 8.470 8.492 -0.022 17967 3821 1 10 . 1 1 70 70 LYS N N 68 119.010 119.010 115.426 3.584 17967 3822 1 10 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.163 -0.183 17967 3823 1 10 . 1 1 70 70 LYS CA C 68 58.830 58.830 57.649 1.181 17967 3824 1 10 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.999 0.131 17967 3825 1 10 . 1 1 70 70 LYS H H 68 7.810 7.810 7.301 0.509 17967 3826 1 10 . 1 1 71 71 PHE N N 69 121.710 121.710 119.624 2.086 17967 3827 1 10 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.250 0.030 17967 3828 1 10 . 1 1 71 71 PHE CA C 69 59.930 59.930 58.600 1.330 17967 3829 1 10 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.705 0.726 17967 3830 1 10 . 1 1 71 71 PHE H H 69 7.810 7.810 7.156 0.654 17967 3831 1 10 . 1 1 72 72 TYR N N 70 120.110 120.110 119.583 0.527 17967 3832 1 10 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.489 -0.169 17967 3833 1 10 . 1 1 72 72 TYR CA C 70 60.330 60.330 58.990 1.340 17967 3834 1 10 . 1 1 72 72 TYR CB C 70 40.430 40.430 36.906 3.525 17967 3835 1 10 . 1 1 72 72 TYR H H 70 8.280 8.280 8.497 -0.217 17967 3836 1 10 . 1 1 73 73 SER N N 71 117.210 117.210 119.144 -1.934 17967 3837 1 10 . 1 1 73 73 SER HA H 71 4.320 4.320 4.513 -0.193 17967 3838 1 10 . 1 1 73 73 SER CA C 71 60.130 60.130 59.047 1.083 17967 3839 1 10 . 1 1 73 73 SER CB C 71 63.630 63.630 64.641 -1.012 17967 3840 1 10 . 1 1 73 73 SER H H 71 7.870 7.870 8.174 -0.304 17967 3841 1 10 . 1 1 74 74 LYS N N 72 122.810 122.810 123.432 -0.622 17967 3842 1 10 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.101 0.169 17967 3843 1 10 . 1 1 74 74 LYS CA C 72 56.930 56.930 58.218 -1.288 17967 3844 1 10 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.601 0.029 17967 3845 1 10 . 1 1 74 74 LYS H H 72 7.800 7.800 8.577 -0.777 17967 3846 1 10 . 1 1 75 75 ILE N N 73 121.610 121.610 115.522 6.088 17967 3847 1 10 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.475 -0.365 17967 3848 1 10 . 1 1 75 75 ILE CA C 73 61.830 61.830 59.853 1.977 17967 3849 1 10 . 1 1 75 75 ILE CB C 73 38.630 38.630 37.028 1.602 17967 3850 1 10 . 1 1 75 75 ILE H H 73 7.750 7.750 7.656 0.094 17967 3851 1 10 . 1 1 76 76 SER N N 74 120.410 120.410 118.582 1.828 17967 3852 1 10 . 1 1 76 76 SER HA H 74 4.300 4.300 4.673 -0.373 17967 3853 1 10 . 1 1 76 76 SER CA C 74 59.330 59.330 58.689 0.641 17967 3854 1 10 . 1 1 76 76 SER CB C 74 63.830 63.830 64.522 -0.692 17967 3855 1 10 . 1 1 76 76 SER H H 74 8.130 8.130 8.436 -0.306 17967 3856 1 10 . 1 1 77 77 GLU N N 75 123.810 123.810 122.108 1.702 17967 3857 1 10 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.641 -0.451 17967 3858 1 10 . 1 1 77 77 GLU CA C 75 57.330 57.330 56.161 1.169 17967 3859 1 10 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.650 -0.520 17967 3860 1 10 . 1 1 77 77 GLU H H 75 8.270 8.270 8.151 0.119 17967 3861 1 10 . 1 1 78 78 TYR N N 76 122.410 122.410 119.826 2.584 17967 3862 1 10 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.241 0.219 17967 3863 1 10 . 1 1 78 78 TYR CA C 76 58.130 58.130 59.217 -1.087 17967 3864 1 10 . 1 1 78 78 TYR CB C 76 38.630 38.630 38.528 0.102 17967 3865 1 10 . 1 1 78 78 TYR H H 76 7.980 7.980 8.456 -0.476 17967 3866 1 10 . 1 1 79 79 ARG N N 77 124.710 124.710 120.074 4.636 17967 3867 1 10 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.491 -0.291 17967 3868 1 10 . 1 1 79 79 ARG CA C 77 56.030 56.030 54.741 1.289 17967 3869 1 10 . 1 1 79 79 ARG CB C 77 31.030 31.030 29.319 1.711 17967 3870 1 10 . 1 1 79 79 ARG H H 77 7.880 7.880 7.323 0.557 17967 3871 1 10 . 1 1 80 80 HIS N N 78 122.110 122.110 121.301 0.809 17967 3872 1 10 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.549 -0.039 17967 3873 1 10 . 1 1 80 80 HIS CA C 78 56.330 56.330 56.031 0.299 17967 3874 1 10 . 1 1 80 80 HIS CB C 78 30.830 30.830 27.602 3.228 17967 3875 1 10 . 1 1 80 80 HIS H H 78 8.120 8.120 8.371 -0.251 17967 3876 1 10 . 1 1 81 81 TYR N N 79 123.610 123.610 121.080 2.530 17967 3877 1 10 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.767 -0.177 17967 3878 1 10 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.441 0.389 17967 3879 1 10 . 1 1 81 81 TYR CB C 79 39.130 39.130 40.911 -1.781 17967 3880 1 10 . 1 1 81 81 TYR H H 79 7.970 7.970 7.832 0.138 17967 3881 1 11 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.219 0.071 17967 3882 1 11 . 1 1 2 2 ALA CA C 0 52.530 52.530 51.645 0.885 17967 3883 1 11 . 1 1 2 2 ALA CB C 0 19.730 19.730 19.267 0.463 17967 3884 1 11 . 1 1 3 3 MET N N 1 122.210 122.210 119.461 2.749 17967 3885 1 11 . 1 1 3 3 MET HA H 1 4.300 4.300 4.616 -0.316 17967 3886 1 11 . 1 1 3 3 MET CA C 1 56.030 56.030 54.125 1.905 17967 3887 1 11 . 1 1 3 3 MET CB C 1 33.430 33.430 32.680 0.750 17967 3888 1 11 . 1 1 3 3 MET H H 1 8.370 8.370 7.642 0.728 17967 3889 1 11 . 1 1 4 4 PHE N N 2 122.310 122.310 125.495 -3.185 17967 3890 1 11 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.796 -0.166 17967 3891 1 11 . 1 1 4 4 PHE CA C 2 57.330 57.330 55.866 1.464 17967 3892 1 11 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.694 -1.264 17967 3893 1 11 . 1 1 4 4 PHE H H 2 8.370 8.370 8.033 0.337 17967 3894 1 11 . 1 1 5 5 GLN N N 3 123.510 123.510 118.928 4.582 17967 3895 1 11 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.369 -0.189 17967 3896 1 11 . 1 1 5 5 GLN CA C 3 56.130 56.130 54.792 1.338 17967 3897 1 11 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.213 0.717 17967 3898 1 11 . 1 1 5 5 GLN H H 3 8.260 8.260 8.427 -0.167 17967 3899 1 11 . 1 1 6 6 ASP N N 4 125.010 125.010 120.496 4.514 17967 3900 1 11 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.731 0.059 17967 3901 1 11 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.890 0.040 17967 3902 1 11 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.878 0.852 17967 3903 1 11 . 1 1 6 6 ASP H H 4 8.420 8.420 8.405 0.015 17967 3904 1 11 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.539 -0.419 17967 3905 1 11 . 1 1 7 7 PRO CA C 5 64.030 64.030 63.810 0.220 17967 3906 1 11 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.785 -0.455 17967 3907 1 11 . 1 1 8 8 GLN N N 6 119.710 119.710 117.070 2.640 17967 3908 1 11 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.184 -0.024 17967 3909 1 11 . 1 1 8 8 GLN CA C 6 56.630 56.630 54.994 1.636 17967 3910 1 11 . 1 1 8 8 GLN CB C 6 29.330 29.330 29.131 0.199 17967 3911 1 11 . 1 1 8 8 GLN H H 6 8.430 8.430 7.874 0.556 17967 3912 1 11 . 1 1 9 9 GLU N N 7 122.110 122.110 121.303 0.807 17967 3913 1 11 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.169 0.031 17967 3914 1 11 . 1 1 9 9 GLU CA C 7 56.030 56.030 56.887 -0.857 17967 3915 1 11 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.904 0.626 17967 3916 1 11 . 1 1 9 9 GLU H H 7 7.940 7.940 8.462 -0.522 17967 3917 1 11 . 1 1 10 10 ARG N N 8 123.410 123.410 118.830 4.580 17967 3918 1 11 . 1 1 10 10 ARG HA H 8 4.400 4.400 5.089 -0.689 17967 3919 1 11 . 1 1 10 10 ARG CA C 8 54.130 54.130 53.003 1.127 17967 3920 1 11 . 1 1 10 10 ARG CB C 8 29.330 29.330 29.522 -0.192 17967 3921 1 11 . 1 1 10 10 ARG H H 8 7.660 7.660 7.856 -0.196 17967 3922 1 11 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.628 -0.278 17967 3923 1 11 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.331 1.199 17967 3924 1 11 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.825 -0.195 17967 3925 1 11 . 1 1 12 12 ARG N N 10 123.810 123.810 118.535 5.275 17967 3926 1 11 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.569 0.101 17967 3927 1 11 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.176 0.654 17967 3928 1 11 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.495 2.035 17967 3929 1 11 . 1 1 12 12 ARG H H 10 8.710 8.710 8.670 0.040 17967 3930 1 11 . 1 1 13 13 LYS N N 11 118.410 118.410 119.447 -1.037 17967 3931 1 11 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.675 0.375 17967 3932 1 11 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.628 -1.298 17967 3933 1 11 . 1 1 13 13 LYS CB C 11 35.430 35.430 32.688 2.742 17967 3934 1 11 . 1 1 13 13 LYS H H 11 7.800 7.800 7.669 0.131 17967 3935 1 11 . 1 1 14 14 LEU N N 12 125.010 125.010 128.085 -3.075 17967 3936 1 11 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.253 -0.083 17967 3937 1 11 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.519 0.211 17967 3938 1 11 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.906 0.624 17967 3939 1 11 . 1 1 14 14 LEU H H 12 10.210 10.210 9.225 0.985 17967 3940 1 11 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.255 -0.035 17967 3941 1 11 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.512 1.718 17967 3942 1 11 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.167 -0.437 17967 3943 1 11 . 1 1 16 16 GLN N N 14 117.810 117.810 117.793 0.017 17967 3944 1 11 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.149 0.041 17967 3945 1 11 . 1 1 16 16 GLN CA C 14 59.030 59.030 59.029 0.001 17967 3946 1 11 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.383 0.247 17967 3947 1 11 . 1 1 16 16 GLN H H 14 7.110 7.110 8.231 -1.121 17967 3948 1 11 . 1 1 17 17 LEU N N 15 124.710 124.710 122.165 2.545 17967 3949 1 11 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.146 -0.136 17967 3950 1 11 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.904 0.426 17967 3951 1 11 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.689 0.341 17967 3952 1 11 . 1 1 17 17 LEU H H 15 8.010 8.010 8.284 -0.274 17967 3953 1 11 . 1 1 18 18 CYS N N 16 117.210 117.210 116.957 0.253 17967 3954 1 11 . 1 1 18 18 CYS HA H 16 3.750 3.750 3.992 -0.242 17967 3955 1 11 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.895 0.836 17967 3956 1 11 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.971 0.259 17967 3957 1 11 . 1 1 18 18 CYS H H 16 8.380 8.380 8.480 -0.100 17967 3958 1 11 . 1 1 19 19 THR N N 17 117.810 117.810 115.810 2.000 17967 3959 1 11 . 1 1 19 19 THR HA H 17 4.000 4.000 4.060 -0.060 17967 3960 1 11 . 1 1 19 19 THR CA C 17 66.830 66.830 67.074 -0.244 17967 3961 1 11 . 1 1 19 19 THR CB C 17 68.830 68.830 68.686 0.144 17967 3962 1 11 . 1 1 19 19 THR H H 17 7.720 7.720 7.593 0.127 17967 3963 1 11 . 1 1 20 20 GLU N N 18 125.410 125.410 120.904 4.506 17967 3964 1 11 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.135 -0.065 17967 3965 1 11 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.873 0.857 17967 3966 1 11 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.317 0.413 17967 3967 1 11 . 1 1 20 20 GLU H H 18 8.010 8.010 7.447 0.563 17967 3968 1 11 . 1 1 21 21 LEU N N 19 118.810 118.810 116.641 2.169 17967 3969 1 11 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.438 -0.138 17967 3970 1 11 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.339 -0.509 17967 3971 1 11 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.883 0.448 17967 3972 1 11 . 1 1 21 21 LEU H H 19 8.010 8.010 7.973 0.037 17967 3973 1 11 . 1 1 22 22 GLN N N 20 118.310 118.310 115.417 2.893 17967 3974 1 11 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.057 -0.107 17967 3975 1 11 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.110 -0.380 17967 3976 1 11 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.434 -0.304 17967 3977 1 11 . 1 1 22 22 GLN H H 20 7.860 7.860 7.767 0.093 17967 3978 1 11 . 1 1 23 23 THR N N 21 115.910 115.910 111.792 4.118 17967 3979 1 11 . 1 1 23 23 THR HA H 21 4.950 4.950 4.596 0.354 17967 3980 1 11 . 1 1 23 23 THR CA C 21 58.530 58.530 60.000 -1.470 17967 3981 1 11 . 1 1 23 23 THR CB C 21 70.330 70.330 70.885 -0.555 17967 3982 1 11 . 1 1 23 23 THR H H 21 8.250 8.250 8.398 -0.148 17967 3983 1 11 . 1 1 24 24 THR N N 22 112.810 112.810 114.742 -1.932 17967 3984 1 11 . 1 1 24 24 THR HA H 22 4.880 4.880 4.616 0.264 17967 3985 1 11 . 1 1 24 24 THR CA C 22 59.730 59.730 60.228 -0.498 17967 3986 1 11 . 1 1 24 24 THR CB C 22 74.130 74.130 71.314 2.816 17967 3987 1 11 . 1 1 24 24 THR H H 22 8.660 8.660 7.920 0.740 17967 3988 1 11 . 1 1 25 25 ILE N N 23 123.710 123.710 120.862 2.848 17967 3989 1 11 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.653 0.127 17967 3990 1 11 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.522 -1.092 17967 3991 1 11 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.702 0.928 17967 3992 1 11 . 1 1 25 25 ILE H H 23 9.060 9.060 8.316 0.744 17967 3993 1 11 . 1 1 26 26 HIS N N 24 119.510 119.510 112.985 6.525 17967 3994 1 11 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.667 -0.227 17967 3995 1 11 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.268 1.762 17967 3996 1 11 . 1 1 26 26 HIS CB C 24 30.830 30.830 28.794 2.036 17967 3997 1 11 . 1 1 26 26 HIS H H 24 7.040 7.040 7.498 -0.458 17967 3998 1 11 . 1 1 27 27 ASP N N 25 116.810 116.810 118.842 -2.032 17967 3999 1 11 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.635 0.125 17967 4000 1 11 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.983 0.447 17967 4001 1 11 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.372 0.958 17967 4002 1 11 . 1 1 27 27 ASP H H 25 7.250 7.250 7.644 -0.394 17967 4003 1 11 . 1 1 28 28 ILE N N 26 123.210 123.210 121.433 1.777 17967 4004 1 11 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.876 0.054 17967 4005 1 11 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.357 0.673 17967 4006 1 11 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.886 -0.956 17967 4007 1 11 . 1 1 28 28 ILE H H 26 7.750 7.750 7.785 -0.035 17967 4008 1 11 . 1 1 29 29 ILE N N 27 131.110 131.110 129.293 1.817 17967 4009 1 11 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.060 0.320 17967 4010 1 11 . 1 1 29 29 ILE CA C 27 58.830 58.830 60.100 -1.270 17967 4011 1 11 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.492 1.138 17967 4012 1 11 . 1 1 29 29 ILE H H 27 8.270 8.270 8.335 -0.065 17967 4013 1 11 . 1 1 30 30 LEU N N 28 129.410 129.410 128.451 0.959 17967 4014 1 11 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.580 0.080 17967 4015 1 11 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.056 -0.526 17967 4016 1 11 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.456 2.874 17967 4017 1 11 . 1 1 30 30 LEU H H 28 8.500 8.500 8.185 0.315 17967 4018 1 11 . 1 1 31 31 GLU N N 29 121.910 121.910 121.084 0.826 17967 4019 1 11 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.726 -0.046 17967 4020 1 11 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.336 0.594 17967 4021 1 11 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.349 0.680 17967 4022 1 11 . 1 1 31 31 GLU H H 29 8.860 8.860 8.252 0.608 17967 4023 1 11 . 1 1 32 32 CYS N N 30 125.710 125.710 120.341 5.369 17967 4024 1 11 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.925 -0.905 17967 4025 1 11 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.301 -1.071 17967 4026 1 11 . 1 1 32 32 CYS CB C 30 31.730 31.730 27.093 4.637 17967 4027 1 11 . 1 1 32 32 CYS H H 30 8.270 8.270 8.541 -0.271 17967 4028 1 11 . 1 1 33 33 VAL N N 31 132.310 132.310 128.149 4.161 17967 4029 1 11 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.094 0.006 17967 4030 1 11 . 1 1 33 33 VAL CA C 31 64.230 64.230 64.987 -0.757 17967 4031 1 11 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.859 -0.229 17967 4032 1 11 . 1 1 33 33 VAL H H 31 8.860 8.860 8.027 0.833 17967 4033 1 11 . 1 1 34 34 TYR N N 32 124.310 124.310 114.542 9.768 17967 4034 1 11 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.530 -0.090 17967 4035 1 11 . 1 1 34 34 TYR CA C 32 61.030 61.030 58.766 2.264 17967 4036 1 11 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.867 1.263 17967 4037 1 11 . 1 1 34 34 TYR H H 32 8.590 8.590 7.140 1.450 17967 4038 1 11 . 1 1 35 35 CYS N N 33 119.810 119.810 115.792 4.018 17967 4039 1 11 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.579 0.261 17967 4040 1 11 . 1 1 35 35 CYS CA C 33 59.430 59.430 59.024 0.406 17967 4041 1 11 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.476 3.754 17967 4042 1 11 . 1 1 35 35 CYS H H 33 8.070 8.070 7.723 0.347 17967 4043 1 11 . 1 1 36 36 LYS N N 34 119.910 119.910 116.590 3.320 17967 4044 1 11 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.914 0.276 17967 4045 1 11 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.747 1.083 17967 4046 1 11 . 1 1 36 36 LYS CB C 34 29.330 29.330 30.106 -0.776 17967 4047 1 11 . 1 1 36 36 LYS H H 34 7.860 7.860 7.902 -0.042 17967 4048 1 11 . 1 1 37 37 GLN N N 35 120.710 120.710 117.315 3.395 17967 4049 1 11 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.439 -0.079 17967 4050 1 11 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.284 1.146 17967 4051 1 11 . 1 1 37 37 GLN CB C 35 29.630 29.630 30.486 -0.856 17967 4052 1 11 . 1 1 37 37 GLN H H 35 8.270 8.270 7.988 0.282 17967 4053 1 11 . 1 1 38 38 GLN N N 36 123.710 123.710 123.455 0.255 17967 4054 1 11 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.256 0.044 17967 4055 1 11 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.566 0.164 17967 4056 1 11 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.946 0.384 17967 4057 1 11 . 1 1 38 38 GLN H H 36 8.640 8.640 8.594 0.046 17967 4058 1 11 . 1 1 39 39 LEU N N 37 131.310 131.310 125.909 5.401 17967 4059 1 11 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.167 -0.057 17967 4060 1 11 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.391 1.939 17967 4061 1 11 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.484 -0.554 17967 4062 1 11 . 1 1 39 39 LEU H H 37 8.870 8.870 7.928 0.942 17967 4063 1 11 . 1 1 40 40 LEU N N 38 126.310 126.310 124.482 1.828 17967 4064 1 11 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.247 0.063 17967 4065 1 11 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.834 -0.604 17967 4066 1 11 . 1 1 40 40 LEU CB C 38 43.130 43.130 42.672 0.458 17967 4067 1 11 . 1 1 40 40 LEU H H 38 9.850 9.850 8.403 1.447 17967 4068 1 11 . 1 1 41 41 ARG N N 39 127.110 127.110 125.697 1.413 17967 4069 1 11 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.691 -0.171 17967 4070 1 11 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.887 -2.057 17967 4071 1 11 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.983 -3.053 17967 4072 1 11 . 1 1 41 41 ARG H H 39 8.970 8.970 8.861 0.109 17967 4073 1 11 . 1 1 42 42 ARG N N 40 115.810 115.810 118.485 -2.675 17967 4074 1 11 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.300 -0.220 17967 4075 1 11 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.693 -0.563 17967 4076 1 11 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.605 -0.275 17967 4077 1 11 . 1 1 42 42 ARG H H 40 8.610 8.610 8.716 -0.106 17967 4078 1 11 . 1 1 43 43 GLU N N 41 119.910 119.910 119.052 0.858 17967 4079 1 11 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.443 -0.193 17967 4080 1 11 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.591 0.439 17967 4081 1 11 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.056 1.274 17967 4082 1 11 . 1 1 43 43 GLU H H 41 6.950 6.950 7.919 -0.969 17967 4083 1 11 . 1 1 44 44 VAL N N 42 125.010 125.010 119.846 5.164 17967 4084 1 11 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.653 -0.413 17967 4085 1 11 . 1 1 44 44 VAL CA C 42 67.630 67.630 65.357 2.273 17967 4086 1 11 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.689 0.641 17967 4087 1 11 . 1 1 44 44 VAL H H 42 7.820 7.820 8.280 -0.460 17967 4088 1 11 . 1 1 45 45 TYR N N 43 118.410 118.410 119.576 -1.166 17967 4089 1 11 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.163 0.267 17967 4090 1 11 . 1 1 45 45 TYR CA C 43 58.830 58.830 61.387 -2.557 17967 4091 1 11 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.229 -0.499 17967 4092 1 11 . 1 1 45 45 TYR H H 43 7.820 7.820 8.111 -0.291 17967 4093 1 11 . 1 1 46 46 ASP N N 44 122.410 122.410 120.311 2.099 17967 4094 1 11 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.311 0.289 17967 4095 1 11 . 1 1 46 46 ASP CA C 44 57.830 57.830 58.141 -0.311 17967 4096 1 11 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.507 0.523 17967 4097 1 11 . 1 1 46 46 ASP H H 44 8.540 8.540 7.961 0.579 17967 4098 1 11 . 1 1 47 47 PHE N N 45 126.210 126.210 119.387 6.823 17967 4099 1 11 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.114 -0.204 17967 4100 1 11 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.889 0.741 17967 4101 1 11 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.143 0.187 17967 4102 1 11 . 1 1 47 47 PHE H H 45 8.320 8.320 8.040 0.280 17967 4103 1 11 . 1 1 48 48 ALA N N 46 119.110 119.110 119.959 -0.849 17967 4104 1 11 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.369 0.151 17967 4105 1 11 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.829 0.401 17967 4106 1 11 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.823 -0.094 17967 4107 1 11 . 1 1 48 48 ALA H H 46 7.740 7.740 7.652 0.088 17967 4108 1 11 . 1 1 49 49 ARG N N 47 124.010 124.010 117.657 6.353 17967 4109 1 11 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.285 -0.235 17967 4110 1 11 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.200 2.430 17967 4111 1 11 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.358 0.072 17967 4112 1 11 . 1 1 49 49 ARG H H 47 8.500 8.500 8.310 0.190 17967 4113 1 11 . 1 1 50 50 ARG N N 48 119.110 119.110 118.771 0.339 17967 4114 1 11 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.518 -0.508 17967 4115 1 11 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.637 2.493 17967 4116 1 11 . 1 1 50 50 ARG CB C 48 31.130 31.130 31.762 -0.632 17967 4117 1 11 . 1 1 50 50 ARG H H 48 7.940 7.940 7.787 0.153 17967 4118 1 11 . 1 1 51 51 ASP N N 49 120.910 120.910 119.902 1.008 17967 4119 1 11 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.752 -0.332 17967 4120 1 11 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.006 0.524 17967 4121 1 11 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.218 -0.288 17967 4122 1 11 . 1 1 51 51 ASP H H 49 7.950 7.950 8.481 -0.531 17967 4123 1 11 . 1 1 52 52 LEU N N 50 118.410 118.410 122.948 -4.538 17967 4124 1 11 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.519 -0.369 17967 4125 1 11 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.557 0.673 17967 4126 1 11 . 1 1 52 52 LEU CB C 50 41.130 41.130 43.598 -2.468 17967 4127 1 11 . 1 1 52 52 LEU H H 50 6.640 6.640 7.541 -0.901 17967 4128 1 11 . 1 1 53 53 CYS N N 51 117.410 117.410 118.418 -1.008 17967 4129 1 11 . 1 1 53 53 CYS HA H 51 4.930 4.930 4.989 -0.059 17967 4130 1 11 . 1 1 53 53 CYS CA C 51 58.930 58.930 55.631 3.299 17967 4131 1 11 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.039 -1.409 17967 4132 1 11 . 1 1 53 53 CYS H H 51 8.030 8.030 8.176 -0.146 17967 4133 1 11 . 1 1 54 54 ILE N N 52 125.110 125.110 122.911 2.199 17967 4134 1 11 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.419 -0.409 17967 4135 1 11 . 1 1 54 54 ILE CA C 52 59.630 59.630 62.066 -2.436 17967 4136 1 11 . 1 1 54 54 ILE CB C 52 37.330 37.330 39.105 -1.775 17967 4137 1 11 . 1 1 54 54 ILE H H 52 8.500 8.500 9.058 -0.558 17967 4138 1 11 . 1 1 55 55 VAL N N 53 127.010 127.010 123.081 3.929 17967 4139 1 11 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.648 -0.278 17967 4140 1 11 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.250 0.380 17967 4141 1 11 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.005 2.225 17967 4142 1 11 . 1 1 55 55 VAL H H 53 8.130 8.130 8.131 -0.001 17967 4143 1 11 . 1 1 56 56 TYR N N 54 124.910 124.910 126.481 -1.571 17967 4144 1 11 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.198 0.202 17967 4145 1 11 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.695 -0.365 17967 4146 1 11 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.794 1.236 17967 4147 1 11 . 1 1 56 56 TYR H H 54 8.700 8.700 8.658 0.042 17967 4148 1 11 . 1 1 57 57 ARG N N 55 123.810 123.810 125.499 -1.689 17967 4149 1 11 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.448 0.192 17967 4150 1 11 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.497 -0.067 17967 4151 1 11 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.240 2.590 17967 4152 1 11 . 1 1 57 57 ARG H H 55 8.870 8.870 8.454 0.416 17967 4153 1 11 . 1 1 58 58 ASP N N 56 129.110 129.110 125.409 3.701 17967 4154 1 11 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.301 0.009 17967 4155 1 11 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.745 -0.915 17967 4156 1 11 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.052 0.078 17967 4157 1 11 . 1 1 58 58 ASP H H 56 9.620 9.620 8.927 0.693 17967 4158 1 11 . 1 1 59 59 GLY N N 57 104.510 104.510 107.236 -2.726 17967 4159 1 11 . 1 1 59 59 GLY CA C 57 45.630 45.630 44.959 0.671 17967 4160 1 11 . 1 1 59 59 GLY H H 57 8.720 8.720 8.135 0.585 17967 4161 1 11 . 1 1 60 60 ASN N N 58 122.210 122.210 119.413 2.797 17967 4162 1 11 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.158 0.242 17967 4163 1 11 . 1 1 60 60 ASN CA C 58 50.330 50.330 51.023 -0.693 17967 4164 1 11 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.885 -0.455 17967 4165 1 11 . 1 1 60 60 ASN H H 58 8.120 8.120 7.934 0.186 17967 4166 1 11 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.432 0.358 17967 4167 1 11 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.270 -0.240 17967 4168 1 11 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.095 2.435 17967 4169 1 11 . 1 1 62 62 TYR N N 60 119.810 119.810 122.191 -2.381 17967 4170 1 11 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.445 -0.085 17967 4171 1 11 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.459 1.771 17967 4172 1 11 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.516 0.914 17967 4173 1 11 . 1 1 62 62 TYR H H 60 8.590 8.590 7.634 0.956 17967 4174 1 11 . 1 1 63 63 ALA N N 61 123.810 123.810 120.745 3.065 17967 4175 1 11 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.264 0.156 17967 4176 1 11 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.003 0.327 17967 4177 1 11 . 1 1 63 63 ALA CB C 61 20.330 20.330 21.368 -1.038 17967 4178 1 11 . 1 1 63 63 ALA H H 61 8.010 8.010 8.935 -0.925 17967 4179 1 11 . 1 1 64 64 VAL N N 62 120.510 120.510 118.325 2.185 17967 4180 1 11 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.299 1.201 17967 4181 1 11 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.578 -0.348 17967 4182 1 11 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.001 3.329 17967 4183 1 11 . 1 1 64 64 VAL H H 62 6.380 6.380 8.341 -1.961 17967 4184 1 11 . 1 1 65 65 CYS N N 63 130.310 130.310 125.981 4.329 17967 4185 1 11 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.423 0.137 17967 4186 1 11 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.501 -0.070 17967 4187 1 11 . 1 1 65 65 CYS CB C 63 31.130 31.130 29.049 2.081 17967 4188 1 11 . 1 1 65 65 CYS H H 63 9.430 9.430 8.321 1.109 17967 4189 1 11 . 1 1 66 66 ASP N N 64 121.110 121.110 121.259 -0.149 17967 4190 1 11 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.306 0.104 17967 4191 1 11 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.453 -0.223 17967 4192 1 11 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.876 1.454 17967 4193 1 11 . 1 1 66 66 ASP H H 64 9.120 9.120 8.766 0.354 17967 4194 1 11 . 1 1 67 67 LYS N N 65 122.110 122.110 119.135 2.975 17967 4195 1 11 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.840 0.170 17967 4196 1 11 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.779 1.351 17967 4197 1 11 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.286 0.544 17967 4198 1 11 . 1 1 67 67 LYS H H 65 8.330 8.330 7.641 0.689 17967 4199 1 11 . 1 1 68 68 CYS N N 66 125.610 125.610 118.828 6.782 17967 4200 1 11 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.299 -0.189 17967 4201 1 11 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.426 1.104 17967 4202 1 11 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.484 4.246 17967 4203 1 11 . 1 1 68 68 CYS H H 66 8.700 8.700 7.577 1.123 17967 4204 1 11 . 1 1 69 69 LEU N N 67 125.310 125.310 121.538 3.772 17967 4205 1 11 . 1 1 69 69 LEU HA H 67 4.000 4.000 3.836 0.164 17967 4206 1 11 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.582 -0.052 17967 4207 1 11 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.258 0.872 17967 4208 1 11 . 1 1 69 69 LEU H H 67 8.470 8.470 8.851 -0.381 17967 4209 1 11 . 1 1 70 70 LYS N N 68 119.010 119.010 119.635 -0.625 17967 4210 1 11 . 1 1 70 70 LYS HA H 68 3.980 3.980 3.882 0.098 17967 4211 1 11 . 1 1 70 70 LYS CA C 68 58.830 58.830 59.482 -0.652 17967 4212 1 11 . 1 1 70 70 LYS CB C 68 32.130 32.130 32.050 0.081 17967 4213 1 11 . 1 1 70 70 LYS H H 68 7.810 7.810 7.384 0.426 17967 4214 1 11 . 1 1 71 71 PHE N N 69 121.710 121.710 117.511 4.199 17967 4215 1 11 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.125 0.155 17967 4216 1 11 . 1 1 71 71 PHE CA C 69 59.930 59.930 59.231 0.699 17967 4217 1 11 . 1 1 71 71 PHE CB C 69 39.430 39.430 37.774 1.656 17967 4218 1 11 . 1 1 71 71 PHE H H 69 7.810 7.810 7.019 0.791 17967 4219 1 11 . 1 1 72 72 TYR N N 70 120.110 120.110 117.106 3.004 17967 4220 1 11 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.460 -0.140 17967 4221 1 11 . 1 1 72 72 TYR CA C 70 60.330 60.330 60.906 -0.575 17967 4222 1 11 . 1 1 72 72 TYR CB C 70 40.430 40.430 38.062 2.368 17967 4223 1 11 . 1 1 72 72 TYR H H 70 8.280 8.280 8.957 -0.677 17967 4224 1 11 . 1 1 73 73 SER N N 71 117.210 117.210 115.171 2.039 17967 4225 1 11 . 1 1 73 73 SER HA H 71 4.320 4.320 4.339 -0.019 17967 4226 1 11 . 1 1 73 73 SER CA C 71 60.130 60.130 60.901 -0.771 17967 4227 1 11 . 1 1 73 73 SER CB C 71 63.630 63.630 62.892 0.738 17967 4228 1 11 . 1 1 73 73 SER H H 71 7.870 7.870 8.022 -0.152 17967 4229 1 11 . 1 1 74 74 LYS N N 72 122.810 122.810 121.887 0.923 17967 4230 1 11 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.061 0.209 17967 4231 1 11 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.721 -0.791 17967 4232 1 11 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.328 0.302 17967 4233 1 11 . 1 1 74 74 LYS H H 72 7.800 7.800 7.418 0.382 17967 4234 1 11 . 1 1 75 75 ILE N N 73 121.610 121.610 120.090 1.520 17967 4235 1 11 . 1 1 75 75 ILE HA H 73 4.110 4.110 3.897 0.213 17967 4236 1 11 . 1 1 75 75 ILE CA C 73 61.830 61.830 65.189 -3.359 17967 4237 1 11 . 1 1 75 75 ILE CB C 73 38.630 38.630 37.899 0.731 17967 4238 1 11 . 1 1 75 75 ILE H H 73 7.750 7.750 8.279 -0.529 17967 4239 1 11 . 1 1 76 76 SER N N 74 120.410 120.410 114.766 5.644 17967 4240 1 11 . 1 1 76 76 SER HA H 74 4.300 4.300 4.393 -0.093 17967 4241 1 11 . 1 1 76 76 SER CA C 74 59.330 59.330 60.860 -1.530 17967 4242 1 11 . 1 1 76 76 SER CB C 74 63.830 63.830 63.319 0.511 17967 4243 1 11 . 1 1 76 76 SER H H 74 8.130 8.130 8.232 -0.102 17967 4244 1 11 . 1 1 77 77 GLU N N 75 123.810 123.810 119.302 4.508 17967 4245 1 11 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.535 -0.345 17967 4246 1 11 . 1 1 77 77 GLU CA C 75 57.330 57.330 55.346 1.984 17967 4247 1 11 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.544 -0.414 17967 4248 1 11 . 1 1 77 77 GLU H H 75 8.270 8.270 7.484 0.786 17967 4249 1 11 . 1 1 78 78 TYR N N 76 122.410 122.410 121.640 0.770 17967 4250 1 11 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.516 -0.056 17967 4251 1 11 . 1 1 78 78 TYR CA C 76 58.130 58.130 59.028 -0.898 17967 4252 1 11 . 1 1 78 78 TYR CB C 76 38.630 38.630 38.303 0.327 17967 4253 1 11 . 1 1 78 78 TYR H H 76 7.980 7.980 7.632 0.348 17967 4254 1 11 . 1 1 79 79 ARG N N 77 124.710 124.710 127.479 -2.769 17967 4255 1 11 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.766 -0.566 17967 4256 1 11 . 1 1 79 79 ARG CA C 77 56.030 56.030 54.651 1.379 17967 4257 1 11 . 1 1 79 79 ARG CB C 77 31.030 31.030 29.948 1.082 17967 4258 1 11 . 1 1 79 79 ARG H H 77 7.880 7.880 8.803 -0.923 17967 4259 1 11 . 1 1 80 80 HIS N N 78 122.110 122.110 118.467 3.643 17967 4260 1 11 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.914 -0.404 17967 4261 1 11 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.578 0.752 17967 4262 1 11 . 1 1 80 80 HIS CB C 78 30.830 30.830 28.394 2.436 17967 4263 1 11 . 1 1 80 80 HIS H H 78 8.120 8.120 8.148 -0.028 17967 4264 1 11 . 1 1 81 81 TYR N N 79 123.610 123.610 124.280 -0.670 17967 4265 1 11 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.763 -0.173 17967 4266 1 11 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.355 0.475 17967 4267 1 11 . 1 1 81 81 TYR CB C 79 39.130 39.130 40.247 -1.117 17967 4268 1 11 . 1 1 81 81 TYR H H 79 7.970 7.970 8.692 -0.722 17967 4269 1 12 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.359 -0.069 17967 4270 1 12 . 1 1 2 2 ALA CA C 0 52.530 52.530 53.524 -0.994 17967 4271 1 12 . 1 1 2 2 ALA CB C 0 19.730 19.730 19.188 0.542 17967 4272 1 12 . 1 1 3 3 MET N N 1 122.210 122.210 115.739 6.471 17967 4273 1 12 . 1 1 3 3 MET HA H 1 4.300 4.300 4.723 -0.423 17967 4274 1 12 . 1 1 3 3 MET CA C 1 56.030 56.030 54.883 1.147 17967 4275 1 12 . 1 1 3 3 MET CB C 1 33.430 33.430 33.955 -0.524 17967 4276 1 12 . 1 1 3 3 MET H H 1 8.370 8.370 7.616 0.754 17967 4277 1 12 . 1 1 4 4 PHE N N 2 122.310 122.310 122.089 0.221 17967 4278 1 12 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.741 -0.111 17967 4279 1 12 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.397 -0.067 17967 4280 1 12 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.218 -1.788 17967 4281 1 12 . 1 1 4 4 PHE H H 2 8.370 8.370 8.604 -0.234 17967 4282 1 12 . 1 1 5 5 GLN N N 3 123.510 123.510 121.639 1.871 17967 4283 1 12 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.361 -0.181 17967 4284 1 12 . 1 1 5 5 GLN CA C 3 56.130 56.130 54.682 1.448 17967 4285 1 12 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.295 0.635 17967 4286 1 12 . 1 1 5 5 GLN H H 3 8.260 8.260 8.097 0.163 17967 4287 1 12 . 1 1 6 6 ASP N N 4 125.010 125.010 118.727 6.283 17967 4288 1 12 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.830 -0.040 17967 4289 1 12 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.170 0.759 17967 4290 1 12 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.973 -0.243 17967 4291 1 12 . 1 1 6 6 ASP H H 4 8.420 8.420 8.489 -0.069 17967 4292 1 12 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.461 -0.341 17967 4293 1 12 . 1 1 7 7 PRO CA C 5 64.030 64.030 64.686 -0.656 17967 4294 1 12 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.468 -0.138 17967 4295 1 12 . 1 1 8 8 GLN N N 6 119.710 119.710 114.682 5.028 17967 4296 1 12 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.353 -0.193 17967 4297 1 12 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.060 1.570 17967 4298 1 12 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.642 0.688 17967 4299 1 12 . 1 1 8 8 GLN H H 6 8.430 8.430 8.244 0.186 17967 4300 1 12 . 1 1 9 9 GLU N N 7 122.110 122.110 122.082 0.028 17967 4301 1 12 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.248 -0.048 17967 4302 1 12 . 1 1 9 9 GLU CA C 7 56.030 56.030 55.965 0.064 17967 4303 1 12 . 1 1 9 9 GLU CB C 7 30.530 30.530 28.529 2.001 17967 4304 1 12 . 1 1 9 9 GLU H H 7 7.940 7.940 8.467 -0.527 17967 4305 1 12 . 1 1 10 10 ARG N N 8 123.410 123.410 121.754 1.656 17967 4306 1 12 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.894 -0.494 17967 4307 1 12 . 1 1 10 10 ARG CA C 8 54.130 54.130 53.416 0.714 17967 4308 1 12 . 1 1 10 10 ARG CB C 8 29.330 29.330 30.447 -1.117 17967 4309 1 12 . 1 1 10 10 ARG H H 8 7.660 7.660 8.187 -0.527 17967 4310 1 12 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.758 -0.408 17967 4311 1 12 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.550 0.980 17967 4312 1 12 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.875 -1.245 17967 4313 1 12 . 1 1 12 12 ARG N N 10 123.810 123.810 117.518 6.292 17967 4314 1 12 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.685 -0.015 17967 4315 1 12 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.960 -0.130 17967 4316 1 12 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.405 1.125 17967 4317 1 12 . 1 1 12 12 ARG H H 10 8.710 8.710 8.778 -0.068 17967 4318 1 12 . 1 1 13 13 LYS N N 11 118.410 118.410 119.105 -0.695 17967 4319 1 12 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.725 0.325 17967 4320 1 12 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.298 -0.968 17967 4321 1 12 . 1 1 13 13 LYS CB C 11 35.430 35.430 33.732 1.698 17967 4322 1 12 . 1 1 13 13 LYS H H 11 7.800 7.800 7.774 0.026 17967 4323 1 12 . 1 1 14 14 LEU N N 12 125.010 125.010 125.809 -0.799 17967 4324 1 12 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.224 -0.054 17967 4325 1 12 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.224 0.506 17967 4326 1 12 . 1 1 14 14 LEU CB C 12 40.530 40.530 40.152 0.378 17967 4327 1 12 . 1 1 14 14 LEU H H 12 10.210 10.210 9.091 1.119 17967 4328 1 12 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.252 -0.032 17967 4329 1 12 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.455 1.775 17967 4330 1 12 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.156 -0.426 17967 4331 1 12 . 1 1 16 16 GLN N N 14 117.810 117.810 117.931 -0.121 17967 4332 1 12 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.152 0.038 17967 4333 1 12 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.875 0.155 17967 4334 1 12 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.343 0.287 17967 4335 1 12 . 1 1 16 16 GLN H H 14 7.110 7.110 8.377 -1.267 17967 4336 1 12 . 1 1 17 17 LEU N N 15 124.710 124.710 121.934 2.776 17967 4337 1 12 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.169 -0.159 17967 4338 1 12 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.703 0.627 17967 4339 1 12 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.699 0.331 17967 4340 1 12 . 1 1 17 17 LEU H H 15 8.010 8.010 7.981 0.029 17967 4341 1 12 . 1 1 18 18 CYS N N 16 117.210 117.210 117.581 -0.371 17967 4342 1 12 . 1 1 18 18 CYS HA H 16 3.750 3.750 4.022 -0.272 17967 4343 1 12 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.773 0.957 17967 4344 1 12 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.907 0.323 17967 4345 1 12 . 1 1 18 18 CYS H H 16 8.380 8.380 8.541 -0.161 17967 4346 1 12 . 1 1 19 19 THR N N 17 117.810 117.810 115.956 1.854 17967 4347 1 12 . 1 1 19 19 THR HA H 17 4.000 4.000 3.966 0.034 17967 4348 1 12 . 1 1 19 19 THR CA C 17 66.830 66.830 67.140 -0.310 17967 4349 1 12 . 1 1 19 19 THR CB C 17 68.830 68.830 68.636 0.194 17967 4350 1 12 . 1 1 19 19 THR H H 17 7.720 7.720 7.720 0.000 17967 4351 1 12 . 1 1 20 20 GLU N N 18 125.410 125.410 120.879 4.531 17967 4352 1 12 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.172 -0.102 17967 4353 1 12 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.816 0.914 17967 4354 1 12 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.510 0.220 17967 4355 1 12 . 1 1 20 20 GLU H H 18 8.010 8.010 7.494 0.516 17967 4356 1 12 . 1 1 21 21 LEU N N 19 118.810 118.810 116.577 2.233 17967 4357 1 12 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.242 0.058 17967 4358 1 12 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.311 -0.481 17967 4359 1 12 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.947 0.383 17967 4360 1 12 . 1 1 21 21 LEU H H 19 8.010 8.010 7.947 0.063 17967 4361 1 12 . 1 1 22 22 GLN N N 20 118.310 118.310 116.097 2.213 17967 4362 1 12 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.026 -0.076 17967 4363 1 12 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.036 -0.306 17967 4364 1 12 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.400 -0.270 17967 4365 1 12 . 1 1 22 22 GLN H H 20 7.860 7.860 7.775 0.085 17967 4366 1 12 . 1 1 23 23 THR N N 21 115.910 115.910 111.731 4.179 17967 4367 1 12 . 1 1 23 23 THR HA H 21 4.950 4.950 4.585 0.365 17967 4368 1 12 . 1 1 23 23 THR CA C 21 58.530 58.530 60.043 -1.513 17967 4369 1 12 . 1 1 23 23 THR CB C 21 70.330 70.330 70.793 -0.464 17967 4370 1 12 . 1 1 23 23 THR H H 21 8.250 8.250 8.415 -0.165 17967 4371 1 12 . 1 1 24 24 THR N N 22 112.810 112.810 114.499 -1.689 17967 4372 1 12 . 1 1 24 24 THR HA H 22 4.880 4.880 4.643 0.237 17967 4373 1 12 . 1 1 24 24 THR CA C 22 59.730 59.730 60.184 -0.454 17967 4374 1 12 . 1 1 24 24 THR CB C 22 74.130 74.130 71.136 2.994 17967 4375 1 12 . 1 1 24 24 THR H H 22 8.660 8.660 7.950 0.710 17967 4376 1 12 . 1 1 25 25 ILE N N 23 123.710 123.710 120.021 3.689 17967 4377 1 12 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.736 0.044 17967 4378 1 12 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.218 -0.788 17967 4379 1 12 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.830 0.800 17967 4380 1 12 . 1 1 25 25 ILE H H 23 9.060 9.060 8.287 0.773 17967 4381 1 12 . 1 1 26 26 HIS N N 24 119.510 119.510 112.873 6.637 17967 4382 1 12 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.736 -0.296 17967 4383 1 12 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.181 1.849 17967 4384 1 12 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.159 1.671 17967 4385 1 12 . 1 1 26 26 HIS H H 24 7.040 7.040 7.450 -0.410 17967 4386 1 12 . 1 1 27 27 ASP N N 25 116.810 116.810 118.858 -2.048 17967 4387 1 12 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.695 0.065 17967 4388 1 12 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.406 0.024 17967 4389 1 12 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.029 1.301 17967 4390 1 12 . 1 1 27 27 ASP H H 25 7.250 7.250 7.614 -0.364 17967 4391 1 12 . 1 1 28 28 ILE N N 26 123.210 123.210 120.937 2.273 17967 4392 1 12 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.950 -0.020 17967 4393 1 12 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.842 0.188 17967 4394 1 12 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.646 -0.716 17967 4395 1 12 . 1 1 28 28 ILE H H 26 7.750 7.750 7.682 0.068 17967 4396 1 12 . 1 1 29 29 ILE N N 27 131.110 131.110 128.640 2.470 17967 4397 1 12 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.183 0.197 17967 4398 1 12 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.920 -1.090 17967 4399 1 12 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.870 0.761 17967 4400 1 12 . 1 1 29 29 ILE H H 27 8.270 8.270 8.329 -0.059 17967 4401 1 12 . 1 1 30 30 LEU N N 28 129.410 129.410 128.692 0.718 17967 4402 1 12 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.651 0.009 17967 4403 1 12 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.364 -0.834 17967 4404 1 12 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.624 2.706 17967 4405 1 12 . 1 1 30 30 LEU H H 28 8.500 8.500 8.444 0.056 17967 4406 1 12 . 1 1 31 31 GLU N N 29 121.910 121.910 120.454 1.456 17967 4407 1 12 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.733 -0.053 17967 4408 1 12 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.487 0.443 17967 4409 1 12 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.321 0.709 17967 4410 1 12 . 1 1 31 31 GLU H H 29 8.860 8.860 8.217 0.643 17967 4411 1 12 . 1 1 32 32 CYS N N 30 125.710 125.710 118.661 7.049 17967 4412 1 12 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.659 -0.639 17967 4413 1 12 . 1 1 32 32 CYS CA C 30 58.230 58.230 60.819 -2.589 17967 4414 1 12 . 1 1 32 32 CYS CB C 30 31.730 31.730 26.139 5.591 17967 4415 1 12 . 1 1 32 32 CYS H H 30 8.270 8.270 8.660 -0.390 17967 4416 1 12 . 1 1 33 33 VAL N N 31 132.310 132.310 124.508 7.802 17967 4417 1 12 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.253 -0.153 17967 4418 1 12 . 1 1 33 33 VAL CA C 31 64.230 64.230 64.044 0.186 17967 4419 1 12 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.663 -0.033 17967 4420 1 12 . 1 1 33 33 VAL H H 31 8.860 8.860 7.737 1.123 17967 4421 1 12 . 1 1 34 34 TYR N N 32 124.310 124.310 116.770 7.540 17967 4422 1 12 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.473 -0.033 17967 4423 1 12 . 1 1 34 34 TYR CA C 32 61.030 61.030 58.874 2.156 17967 4424 1 12 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.828 1.302 17967 4425 1 12 . 1 1 34 34 TYR H H 32 8.590 8.590 7.030 1.560 17967 4426 1 12 . 1 1 35 35 CYS N N 33 119.810 119.810 116.388 3.422 17967 4427 1 12 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.351 0.489 17967 4428 1 12 . 1 1 35 35 CYS CA C 33 59.430 59.430 59.699 -0.269 17967 4429 1 12 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.771 4.459 17967 4430 1 12 . 1 1 35 35 CYS H H 33 8.070 8.070 7.950 0.120 17967 4431 1 12 . 1 1 36 36 LYS N N 34 119.910 119.910 114.576 5.334 17967 4432 1 12 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.960 0.230 17967 4433 1 12 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.163 0.667 17967 4434 1 12 . 1 1 36 36 LYS CB C 34 29.330 29.330 28.978 0.352 17967 4435 1 12 . 1 1 36 36 LYS H H 34 7.860 7.860 8.252 -0.392 17967 4436 1 12 . 1 1 37 37 GLN N N 35 120.710 120.710 112.740 7.970 17967 4437 1 12 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.665 -0.305 17967 4438 1 12 . 1 1 37 37 GLN CA C 35 55.430 55.430 53.159 2.271 17967 4439 1 12 . 1 1 37 37 GLN CB C 35 29.630 29.630 31.503 -1.873 17967 4440 1 12 . 1 1 37 37 GLN H H 35 8.270 8.270 7.623 0.647 17967 4441 1 12 . 1 1 38 38 GLN N N 36 123.710 123.710 120.984 2.726 17967 4442 1 12 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.263 0.037 17967 4443 1 12 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.642 0.088 17967 4444 1 12 . 1 1 38 38 GLN CB C 36 29.330 29.330 29.038 0.292 17967 4445 1 12 . 1 1 38 38 GLN H H 36 8.640 8.640 8.592 0.048 17967 4446 1 12 . 1 1 39 39 LEU N N 37 131.310 131.310 125.674 5.636 17967 4447 1 12 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.194 -0.084 17967 4448 1 12 . 1 1 39 39 LEU CA C 37 57.330 57.330 54.982 2.348 17967 4449 1 12 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.617 -0.687 17967 4450 1 12 . 1 1 39 39 LEU H H 37 8.870 8.870 7.865 1.005 17967 4451 1 12 . 1 1 40 40 LEU N N 38 126.310 126.310 123.391 2.919 17967 4452 1 12 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.317 -0.007 17967 4453 1 12 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.629 -0.399 17967 4454 1 12 . 1 1 40 40 LEU CB C 38 43.130 43.130 42.927 0.203 17967 4455 1 12 . 1 1 40 40 LEU H H 38 9.850 9.850 8.346 1.504 17967 4456 1 12 . 1 1 41 41 ARG N N 39 127.110 127.110 126.232 0.878 17967 4457 1 12 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.787 -0.267 17967 4458 1 12 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.565 -1.735 17967 4459 1 12 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.896 -2.966 17967 4460 1 12 . 1 1 41 41 ARG H H 39 8.970 8.970 8.927 0.043 17967 4461 1 12 . 1 1 42 42 ARG N N 40 115.810 115.810 117.801 -1.991 17967 4462 1 12 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.225 -0.145 17967 4463 1 12 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.901 -0.771 17967 4464 1 12 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.690 -0.360 17967 4465 1 12 . 1 1 42 42 ARG H H 40 8.610 8.610 8.663 -0.053 17967 4466 1 12 . 1 1 43 43 GLU N N 41 119.910 119.910 118.447 1.463 17967 4467 1 12 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.493 -0.243 17967 4468 1 12 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.059 0.971 17967 4469 1 12 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.134 1.196 17967 4470 1 12 . 1 1 43 43 GLU H H 41 6.950 6.950 7.813 -0.863 17967 4471 1 12 . 1 1 44 44 VAL N N 42 125.010 125.010 120.391 4.619 17967 4472 1 12 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.585 -0.345 17967 4473 1 12 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.302 1.328 17967 4474 1 12 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.180 0.150 17967 4475 1 12 . 1 1 44 44 VAL H H 42 7.820 7.820 8.062 -0.242 17967 4476 1 12 . 1 1 45 45 TYR N N 43 118.410 118.410 118.342 0.068 17967 4477 1 12 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.148 0.282 17967 4478 1 12 . 1 1 45 45 TYR CA C 43 58.830 58.830 61.026 -2.196 17967 4479 1 12 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.626 -0.896 17967 4480 1 12 . 1 1 45 45 TYR H H 43 7.820 7.820 7.995 -0.175 17967 4481 1 12 . 1 1 46 46 ASP N N 44 122.410 122.410 119.359 3.051 17967 4482 1 12 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.360 0.240 17967 4483 1 12 . 1 1 46 46 ASP CA C 44 57.830 57.830 58.071 -0.241 17967 4484 1 12 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.614 0.416 17967 4485 1 12 . 1 1 46 46 ASP H H 44 8.540 8.540 7.849 0.691 17967 4486 1 12 . 1 1 47 47 PHE N N 45 126.210 126.210 119.368 6.842 17967 4487 1 12 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.143 -0.233 17967 4488 1 12 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.453 1.177 17967 4489 1 12 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.032 0.298 17967 4490 1 12 . 1 1 47 47 PHE H H 45 8.320 8.320 7.512 0.808 17967 4491 1 12 . 1 1 48 48 ALA N N 46 119.110 119.110 119.567 -0.457 17967 4492 1 12 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.330 0.190 17967 4493 1 12 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.338 0.892 17967 4494 1 12 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.990 -0.260 17967 4495 1 12 . 1 1 48 48 ALA H H 46 7.740 7.740 7.743 -0.003 17967 4496 1 12 . 1 1 49 49 ARG N N 47 124.010 124.010 117.297 6.713 17967 4497 1 12 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.375 -0.325 17967 4498 1 12 . 1 1 49 49 ARG CA C 47 59.630 59.630 56.398 3.232 17967 4499 1 12 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.440 -0.010 17967 4500 1 12 . 1 1 49 49 ARG H H 47 8.500 8.500 7.850 0.650 17967 4501 1 12 . 1 1 50 50 ARG N N 48 119.110 119.110 117.959 1.151 17967 4502 1 12 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.547 -0.537 17967 4503 1 12 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.053 2.077 17967 4504 1 12 . 1 1 50 50 ARG CB C 48 31.130 31.130 32.267 -1.137 17967 4505 1 12 . 1 1 50 50 ARG H H 48 7.940 7.940 7.558 0.382 17967 4506 1 12 . 1 1 51 51 ASP N N 49 120.910 120.910 117.399 3.511 17967 4507 1 12 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.528 -0.108 17967 4508 1 12 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.276 0.254 17967 4509 1 12 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.268 -0.338 17967 4510 1 12 . 1 1 51 51 ASP H H 49 7.950 7.950 8.450 -0.500 17967 4511 1 12 . 1 1 52 52 LEU N N 50 118.410 118.410 120.660 -2.250 17967 4512 1 12 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.076 0.074 17967 4513 1 12 . 1 1 52 52 LEU CA C 50 54.230 54.230 55.414 -1.184 17967 4514 1 12 . 1 1 52 52 LEU CB C 50 41.130 41.130 41.809 -0.679 17967 4515 1 12 . 1 1 52 52 LEU H H 50 6.640 6.640 7.551 -0.911 17967 4516 1 12 . 1 1 53 53 CYS N N 51 117.410 117.410 117.275 0.135 17967 4517 1 12 . 1 1 53 53 CYS HA H 51 4.930 4.930 4.761 0.169 17967 4518 1 12 . 1 1 53 53 CYS CA C 51 58.930 58.930 55.573 3.357 17967 4519 1 12 . 1 1 53 53 CYS CB C 51 28.630 28.630 31.089 -2.459 17967 4520 1 12 . 1 1 53 53 CYS H H 51 8.030 8.030 7.911 0.119 17967 4521 1 12 . 1 1 54 54 ILE N N 52 125.110 125.110 122.555 2.555 17967 4522 1 12 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.309 -0.299 17967 4523 1 12 . 1 1 54 54 ILE CA C 52 59.630 59.630 62.005 -2.374 17967 4524 1 12 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.738 -1.408 17967 4525 1 12 . 1 1 54 54 ILE H H 52 8.500 8.500 8.657 -0.157 17967 4526 1 12 . 1 1 55 55 VAL N N 53 127.010 127.010 123.602 3.408 17967 4527 1 12 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.584 -0.214 17967 4528 1 12 . 1 1 55 55 VAL CA C 53 60.630 60.630 59.959 0.671 17967 4529 1 12 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.759 1.471 17967 4530 1 12 . 1 1 55 55 VAL H H 53 8.130 8.130 8.264 -0.134 17967 4531 1 12 . 1 1 56 56 TYR N N 54 124.910 124.910 126.113 -1.203 17967 4532 1 12 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.187 0.213 17967 4533 1 12 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.496 -0.166 17967 4534 1 12 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.203 1.827 17967 4535 1 12 . 1 1 56 56 TYR H H 54 8.700 8.700 8.630 0.070 17967 4536 1 12 . 1 1 57 57 ARG N N 55 123.810 123.810 125.620 -1.810 17967 4537 1 12 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.409 0.231 17967 4538 1 12 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.996 -0.566 17967 4539 1 12 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.459 2.371 17967 4540 1 12 . 1 1 57 57 ARG H H 55 8.870 8.870 8.421 0.449 17967 4541 1 12 . 1 1 58 58 ASP N N 56 129.110 129.110 125.346 3.764 17967 4542 1 12 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.330 -0.020 17967 4543 1 12 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.798 -0.968 17967 4544 1 12 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.191 -0.061 17967 4545 1 12 . 1 1 58 58 ASP H H 56 9.620 9.620 9.205 0.415 17967 4546 1 12 . 1 1 59 59 GLY N N 57 104.510 104.510 109.819 -5.309 17967 4547 1 12 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.097 0.533 17967 4548 1 12 . 1 1 59 59 GLY H H 57 8.720 8.720 8.378 0.342 17967 4549 1 12 . 1 1 60 60 ASN N N 58 122.210 122.210 118.794 3.416 17967 4550 1 12 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.127 0.273 17967 4551 1 12 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.880 -0.550 17967 4552 1 12 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.973 -0.543 17967 4553 1 12 . 1 1 60 60 ASN H H 58 8.120 8.120 7.846 0.274 17967 4554 1 12 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.584 0.206 17967 4555 1 12 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.317 -0.287 17967 4556 1 12 . 1 1 61 61 PRO CB C 59 33.530 33.530 30.945 2.585 17967 4557 1 12 . 1 1 62 62 TYR N N 60 119.810 119.810 122.847 -3.037 17967 4558 1 12 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.529 -0.169 17967 4559 1 12 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.254 1.976 17967 4560 1 12 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.404 1.026 17967 4561 1 12 . 1 1 62 62 TYR H H 60 8.590 8.590 7.640 0.950 17967 4562 1 12 . 1 1 63 63 ALA N N 61 123.810 123.810 121.608 2.202 17967 4563 1 12 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.131 0.289 17967 4564 1 12 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.199 0.132 17967 4565 1 12 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.756 -0.426 17967 4566 1 12 . 1 1 63 63 ALA H H 61 8.010 8.010 8.817 -0.807 17967 4567 1 12 . 1 1 64 64 VAL N N 62 120.510 120.510 117.660 2.850 17967 4568 1 12 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.220 1.280 17967 4569 1 12 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.425 -0.195 17967 4570 1 12 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.686 2.644 17967 4571 1 12 . 1 1 64 64 VAL H H 62 6.380 6.380 8.182 -1.802 17967 4572 1 12 . 1 1 65 65 CYS N N 63 130.310 130.310 124.892 5.418 17967 4573 1 12 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.489 0.071 17967 4574 1 12 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.934 0.497 17967 4575 1 12 . 1 1 65 65 CYS CB C 63 31.130 31.130 29.792 1.338 17967 4576 1 12 . 1 1 65 65 CYS H H 63 9.430 9.430 8.050 1.380 17967 4577 1 12 . 1 1 66 66 ASP N N 64 121.110 121.110 120.316 0.794 17967 4578 1 12 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.334 0.076 17967 4579 1 12 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.125 0.105 17967 4580 1 12 . 1 1 66 66 ASP CB C 64 42.330 42.330 41.000 1.330 17967 4581 1 12 . 1 1 66 66 ASP H H 64 9.120 9.120 8.816 0.304 17967 4582 1 12 . 1 1 67 67 LYS N N 65 122.110 122.110 118.873 3.237 17967 4583 1 12 . 1 1 67 67 LYS HA H 65 4.010 4.010 4.377 -0.367 17967 4584 1 12 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.087 2.043 17967 4585 1 12 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.151 0.679 17967 4586 1 12 . 1 1 67 67 LYS H H 65 8.330 8.330 7.789 0.541 17967 4587 1 12 . 1 1 68 68 CYS N N 66 125.610 125.610 120.018 5.592 17967 4588 1 12 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.057 0.053 17967 4589 1 12 . 1 1 68 68 CYS CA C 66 63.530 63.530 63.132 0.398 17967 4590 1 12 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.201 4.529 17967 4591 1 12 . 1 1 68 68 CYS H H 66 8.700 8.700 7.910 0.790 17967 4592 1 12 . 1 1 69 69 LEU N N 67 125.310 125.310 120.834 4.476 17967 4593 1 12 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.281 -0.281 17967 4594 1 12 . 1 1 69 69 LEU CA C 67 58.530 58.530 57.950 0.580 17967 4595 1 12 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.941 0.188 17967 4596 1 12 . 1 1 69 69 LEU H H 67 8.470 8.470 8.636 -0.166 17967 4597 1 12 . 1 1 70 70 LYS N N 68 119.010 119.010 120.265 -1.255 17967 4598 1 12 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.105 -0.125 17967 4599 1 12 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.778 0.052 17967 4600 1 12 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.715 0.415 17967 4601 1 12 . 1 1 70 70 LYS H H 68 7.810 7.810 7.404 0.406 17967 4602 1 12 . 1 1 71 71 PHE N N 69 121.710 121.710 117.310 4.400 17967 4603 1 12 . 1 1 71 71 PHE HA H 69 4.280 4.280 3.964 0.316 17967 4604 1 12 . 1 1 71 71 PHE CA C 69 59.930 59.930 61.274 -1.344 17967 4605 1 12 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.608 -0.179 17967 4606 1 12 . 1 1 71 71 PHE H H 69 7.810 7.810 7.664 0.146 17967 4607 1 12 . 1 1 72 72 TYR N N 70 120.110 120.110 116.932 3.178 17967 4608 1 12 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.653 -0.333 17967 4609 1 12 . 1 1 72 72 TYR CA C 70 60.330 60.330 57.211 3.119 17967 4610 1 12 . 1 1 72 72 TYR CB C 70 40.430 40.430 38.526 1.904 17967 4611 1 12 . 1 1 72 72 TYR H H 70 8.280 8.280 8.453 -0.173 17967 4612 1 12 . 1 1 73 73 SER N N 71 117.210 117.210 120.816 -3.606 17967 4613 1 12 . 1 1 73 73 SER HA H 71 4.320 4.320 4.481 -0.161 17967 4614 1 12 . 1 1 73 73 SER CA C 71 60.130 60.130 60.362 -0.232 17967 4615 1 12 . 1 1 73 73 SER CB C 71 63.630 63.630 63.673 -0.043 17967 4616 1 12 . 1 1 73 73 SER H H 71 7.870 7.870 8.772 -0.902 17967 4617 1 12 . 1 1 74 74 LYS N N 72 122.810 122.810 122.028 0.782 17967 4618 1 12 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.295 -0.025 17967 4619 1 12 . 1 1 74 74 LYS CA C 72 56.930 56.930 56.401 0.529 17967 4620 1 12 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.616 0.014 17967 4621 1 12 . 1 1 74 74 LYS H H 72 7.800 7.800 8.213 -0.413 17967 4622 1 12 . 1 1 75 75 ILE N N 73 121.610 121.610 119.928 1.682 17967 4623 1 12 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.134 -0.024 17967 4624 1 12 . 1 1 75 75 ILE CA C 73 61.830 61.830 61.960 -0.130 17967 4625 1 12 . 1 1 75 75 ILE CB C 73 38.630 38.630 37.432 1.198 17967 4626 1 12 . 1 1 75 75 ILE H H 73 7.750 7.750 8.144 -0.394 17967 4627 1 12 . 1 1 76 76 SER N N 74 120.410 120.410 121.045 -0.635 17967 4628 1 12 . 1 1 76 76 SER HA H 74 4.300 4.300 4.628 -0.328 17967 4629 1 12 . 1 1 76 76 SER CA C 74 59.330 59.330 58.125 1.205 17967 4630 1 12 . 1 1 76 76 SER CB C 74 63.830 63.830 64.758 -0.928 17967 4631 1 12 . 1 1 76 76 SER H H 74 8.130 8.130 8.476 -0.346 17967 4632 1 12 . 1 1 77 77 GLU N N 75 123.810 123.810 122.148 1.662 17967 4633 1 12 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.734 -0.544 17967 4634 1 12 . 1 1 77 77 GLU CA C 75 57.330 57.330 55.097 2.233 17967 4635 1 12 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.874 -0.744 17967 4636 1 12 . 1 1 77 77 GLU H H 75 8.270 8.270 8.102 0.168 17967 4637 1 12 . 1 1 78 78 TYR N N 76 122.410 122.410 126.681 -4.271 17967 4638 1 12 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.538 -0.078 17967 4639 1 12 . 1 1 78 78 TYR CA C 76 58.130 58.130 57.276 0.854 17967 4640 1 12 . 1 1 78 78 TYR CB C 76 38.630 38.630 38.684 -0.054 17967 4641 1 12 . 1 1 78 78 TYR H H 76 7.980 7.980 8.622 -0.642 17967 4642 1 12 . 1 1 79 79 ARG N N 77 124.710 124.710 130.479 -5.769 17967 4643 1 12 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.766 -0.566 17967 4644 1 12 . 1 1 79 79 ARG CA C 77 56.030 56.030 54.827 1.203 17967 4645 1 12 . 1 1 79 79 ARG CB C 77 31.030 31.030 28.637 2.393 17967 4646 1 12 . 1 1 79 79 ARG H H 77 7.880 7.880 9.043 -1.163 17967 4647 1 12 . 1 1 80 80 HIS N N 78 122.110 122.110 122.019 0.091 17967 4648 1 12 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.435 0.075 17967 4649 1 12 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.914 0.416 17967 4650 1 12 . 1 1 80 80 HIS CB C 78 30.830 30.830 29.182 1.648 17967 4651 1 12 . 1 1 80 80 HIS H H 78 8.120 8.120 7.903 0.217 17967 4652 1 12 . 1 1 81 81 TYR N N 79 123.610 123.610 118.743 4.867 17967 4653 1 12 . 1 1 81 81 TYR HA H 79 4.590 4.590 3.915 0.675 17967 4654 1 12 . 1 1 81 81 TYR CA C 79 57.830 57.830 58.137 -0.307 17967 4655 1 12 . 1 1 81 81 TYR CB C 79 39.130 39.130 37.756 1.374 17967 4656 1 12 . 1 1 81 81 TYR H H 79 7.970 7.970 6.952 1.018 17967 4657 1 13 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.540 -0.250 17967 4658 1 13 . 1 1 2 2 ALA CA C 0 52.530 52.530 52.379 0.151 17967 4659 1 13 . 1 1 2 2 ALA CB C 0 19.730 19.730 18.528 1.202 17967 4660 1 13 . 1 1 3 3 MET N N 1 122.210 122.210 122.830 -0.620 17967 4661 1 13 . 1 1 3 3 MET HA H 1 4.300 4.300 5.206 -0.906 17967 4662 1 13 . 1 1 3 3 MET CA C 1 56.030 56.030 54.375 1.655 17967 4663 1 13 . 1 1 3 3 MET CB C 1 33.430 33.430 33.892 -0.462 17967 4664 1 13 . 1 1 3 3 MET H H 1 8.370 8.370 7.865 0.505 17967 4665 1 13 . 1 1 4 4 PHE N N 2 122.310 122.310 126.880 -4.570 17967 4666 1 13 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.673 -0.043 17967 4667 1 13 . 1 1 4 4 PHE CA C 2 57.330 57.330 56.434 0.896 17967 4668 1 13 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.529 -1.099 17967 4669 1 13 . 1 1 4 4 PHE H H 2 8.370 8.370 8.503 -0.133 17967 4670 1 13 . 1 1 5 5 GLN N N 3 123.510 123.510 125.617 -2.107 17967 4671 1 13 . 1 1 5 5 GLN HA H 3 4.180 4.180 3.991 0.189 17967 4672 1 13 . 1 1 5 5 GLN CA C 3 56.130 56.130 55.858 0.272 17967 4673 1 13 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.012 0.919 17967 4674 1 13 . 1 1 5 5 GLN H H 3 8.260 8.260 8.262 -0.002 17967 4675 1 13 . 1 1 6 6 ASP N N 4 125.010 125.010 118.598 6.412 17967 4676 1 13 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.643 0.147 17967 4677 1 13 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.718 0.212 17967 4678 1 13 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.823 0.907 17967 4679 1 13 . 1 1 6 6 ASP H H 4 8.420 8.420 8.326 0.094 17967 4680 1 13 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.340 -0.220 17967 4681 1 13 . 1 1 7 7 PRO CA C 5 64.030 64.030 64.225 -0.195 17967 4682 1 13 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.229 0.101 17967 4683 1 13 . 1 1 8 8 GLN N N 6 119.710 119.710 117.598 2.112 17967 4684 1 13 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.327 -0.167 17967 4685 1 13 . 1 1 8 8 GLN CA C 6 56.630 56.630 54.824 1.806 17967 4686 1 13 . 1 1 8 8 GLN CB C 6 29.330 29.330 29.226 0.104 17967 4687 1 13 . 1 1 8 8 GLN H H 6 8.430 8.430 7.773 0.657 17967 4688 1 13 . 1 1 9 9 GLU N N 7 122.110 122.110 120.060 2.050 17967 4689 1 13 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.200 -0.000 17967 4690 1 13 . 1 1 9 9 GLU CA C 7 56.030 56.030 55.502 0.528 17967 4691 1 13 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.313 1.217 17967 4692 1 13 . 1 1 9 9 GLU H H 7 7.940 7.940 8.014 -0.074 17967 4693 1 13 . 1 1 10 10 ARG N N 8 123.410 123.410 119.461 3.949 17967 4694 1 13 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.736 -0.336 17967 4695 1 13 . 1 1 10 10 ARG CA C 8 54.130 54.130 53.515 0.615 17967 4696 1 13 . 1 1 10 10 ARG CB C 8 29.330 29.330 30.332 -1.002 17967 4697 1 13 . 1 1 10 10 ARG H H 8 7.660 7.660 7.401 0.259 17967 4698 1 13 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.578 -0.228 17967 4699 1 13 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.531 0.999 17967 4700 1 13 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.334 -0.704 17967 4701 1 13 . 1 1 12 12 ARG N N 10 123.810 123.810 115.209 8.601 17967 4702 1 13 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.875 -0.205 17967 4703 1 13 . 1 1 12 12 ARG CA C 10 56.830 56.830 54.986 1.844 17967 4704 1 13 . 1 1 12 12 ARG CB C 10 32.530 32.530 32.292 0.238 17967 4705 1 13 . 1 1 12 12 ARG H H 10 8.710 8.710 8.296 0.414 17967 4706 1 13 . 1 1 13 13 LYS N N 11 118.410 118.410 120.101 -1.691 17967 4707 1 13 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.806 0.244 17967 4708 1 13 . 1 1 13 13 LYS CA C 11 53.330 53.330 55.143 -1.813 17967 4709 1 13 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.458 0.972 17967 4710 1 13 . 1 1 13 13 LYS H H 11 7.800 7.800 7.969 -0.169 17967 4711 1 13 . 1 1 14 14 LEU N N 12 125.010 125.010 125.804 -0.794 17967 4712 1 13 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.227 -0.057 17967 4713 1 13 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.557 0.173 17967 4714 1 13 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.846 0.684 17967 4715 1 13 . 1 1 14 14 LEU H H 12 10.210 10.210 9.292 0.918 17967 4716 1 13 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.218 0.002 17967 4717 1 13 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.641 1.589 17967 4718 1 13 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.024 -0.294 17967 4719 1 13 . 1 1 16 16 GLN N N 14 117.810 117.810 118.009 -0.199 17967 4720 1 13 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.131 0.059 17967 4721 1 13 . 1 1 16 16 GLN CA C 14 59.030 59.030 59.091 -0.061 17967 4722 1 13 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.337 0.292 17967 4723 1 13 . 1 1 16 16 GLN H H 14 7.110 7.110 8.368 -1.258 17967 4724 1 13 . 1 1 17 17 LEU N N 15 124.710 124.710 121.800 2.910 17967 4725 1 13 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.195 -0.185 17967 4726 1 13 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.565 0.765 17967 4727 1 13 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.798 0.232 17967 4728 1 13 . 1 1 17 17 LEU H H 15 8.010 8.010 8.043 -0.033 17967 4729 1 13 . 1 1 18 18 CYS N N 16 117.210 117.210 117.504 -0.294 17967 4730 1 13 . 1 1 18 18 CYS HA H 16 3.750 3.750 3.954 -0.204 17967 4731 1 13 . 1 1 18 18 CYS CA C 16 64.730 64.730 64.090 0.640 17967 4732 1 13 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.053 0.177 17967 4733 1 13 . 1 1 18 18 CYS H H 16 8.380 8.380 8.509 -0.129 17967 4734 1 13 . 1 1 19 19 THR N N 17 117.810 117.810 116.087 1.723 17967 4735 1 13 . 1 1 19 19 THR HA H 17 4.000 4.000 4.024 -0.024 17967 4736 1 13 . 1 1 19 19 THR CA C 17 66.830 66.830 67.240 -0.410 17967 4737 1 13 . 1 1 19 19 THR CB C 17 68.830 68.830 68.519 0.311 17967 4738 1 13 . 1 1 19 19 THR H H 17 7.720 7.720 7.917 -0.197 17967 4739 1 13 . 1 1 20 20 GLU N N 18 125.410 125.410 120.717 4.693 17967 4740 1 13 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.233 -0.163 17967 4741 1 13 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.883 0.847 17967 4742 1 13 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.473 0.257 17967 4743 1 13 . 1 1 20 20 GLU H H 18 8.010 8.010 7.508 0.502 17967 4744 1 13 . 1 1 21 21 LEU N N 19 118.810 118.810 116.987 1.823 17967 4745 1 13 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.246 0.054 17967 4746 1 13 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.163 -0.333 17967 4747 1 13 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.711 0.619 17967 4748 1 13 . 1 1 21 21 LEU H H 19 8.010 8.010 8.018 -0.008 17967 4749 1 13 . 1 1 22 22 GLN N N 20 118.310 118.310 114.652 3.658 17967 4750 1 13 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.044 -0.094 17967 4751 1 13 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.034 -0.304 17967 4752 1 13 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.499 -0.369 17967 4753 1 13 . 1 1 22 22 GLN H H 20 7.860 7.860 7.689 0.171 17967 4754 1 13 . 1 1 23 23 THR N N 21 115.910 115.910 112.680 3.230 17967 4755 1 13 . 1 1 23 23 THR HA H 21 4.950 4.950 4.529 0.421 17967 4756 1 13 . 1 1 23 23 THR CA C 21 58.530 58.530 60.240 -1.710 17967 4757 1 13 . 1 1 23 23 THR CB C 21 70.330 70.330 70.743 -0.413 17967 4758 1 13 . 1 1 23 23 THR H H 21 8.250 8.250 8.362 -0.112 17967 4759 1 13 . 1 1 24 24 THR N N 22 112.810 112.810 113.742 -0.932 17967 4760 1 13 . 1 1 24 24 THR HA H 22 4.880 4.880 4.614 0.266 17967 4761 1 13 . 1 1 24 24 THR CA C 22 59.730 59.730 60.238 -0.508 17967 4762 1 13 . 1 1 24 24 THR CB C 22 74.130 74.130 71.128 3.002 17967 4763 1 13 . 1 1 24 24 THR H H 22 8.660 8.660 7.817 0.843 17967 4764 1 13 . 1 1 25 25 ILE N N 23 123.710 123.710 119.753 3.957 17967 4765 1 13 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.709 0.071 17967 4766 1 13 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.141 -0.711 17967 4767 1 13 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.992 0.638 17967 4768 1 13 . 1 1 25 25 ILE H H 23 9.060 9.060 8.137 0.923 17967 4769 1 13 . 1 1 26 26 HIS N N 24 119.510 119.510 112.957 6.553 17967 4770 1 13 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.696 -0.256 17967 4771 1 13 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.274 1.756 17967 4772 1 13 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.233 1.597 17967 4773 1 13 . 1 1 26 26 HIS H H 24 7.040 7.040 7.470 -0.430 17967 4774 1 13 . 1 1 27 27 ASP N N 25 116.810 116.810 118.586 -1.776 17967 4775 1 13 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.686 0.074 17967 4776 1 13 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.245 0.185 17967 4777 1 13 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.984 1.346 17967 4778 1 13 . 1 1 27 27 ASP H H 25 7.250 7.250 7.690 -0.440 17967 4779 1 13 . 1 1 28 28 ILE N N 26 123.210 123.210 121.534 1.676 17967 4780 1 13 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.901 0.029 17967 4781 1 13 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.273 0.757 17967 4782 1 13 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.620 -0.690 17967 4783 1 13 . 1 1 28 28 ILE H H 26 7.750 7.750 7.784 -0.034 17967 4784 1 13 . 1 1 29 29 ILE N N 27 131.110 131.110 128.385 2.725 17967 4785 1 13 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.107 0.273 17967 4786 1 13 . 1 1 29 29 ILE CA C 27 58.830 58.830 60.196 -1.366 17967 4787 1 13 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.627 1.003 17967 4788 1 13 . 1 1 29 29 ILE H H 27 8.270 8.270 8.291 -0.021 17967 4789 1 13 . 1 1 30 30 LEU N N 28 129.410 129.410 129.647 -0.237 17967 4790 1 13 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.556 0.104 17967 4791 1 13 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.548 -1.018 17967 4792 1 13 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.353 2.977 17967 4793 1 13 . 1 1 30 30 LEU H H 28 8.500 8.500 8.381 0.119 17967 4794 1 13 . 1 1 31 31 GLU N N 29 121.910 121.910 121.502 0.408 17967 4795 1 13 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.760 -0.080 17967 4796 1 13 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.298 0.632 17967 4797 1 13 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.463 0.567 17967 4798 1 13 . 1 1 31 31 GLU H H 29 8.860 8.860 8.216 0.644 17967 4799 1 13 . 1 1 32 32 CYS N N 30 125.710 125.710 118.998 6.712 17967 4800 1 13 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.682 -0.662 17967 4801 1 13 . 1 1 32 32 CYS CA C 30 58.230 58.230 60.933 -2.703 17967 4802 1 13 . 1 1 32 32 CYS CB C 30 31.730 31.730 26.065 5.665 17967 4803 1 13 . 1 1 32 32 CYS H H 30 8.270 8.270 8.685 -0.415 17967 4804 1 13 . 1 1 33 33 VAL N N 31 132.310 132.310 124.772 7.538 17967 4805 1 13 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.008 0.092 17967 4806 1 13 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.815 -1.585 17967 4807 1 13 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.741 -0.111 17967 4808 1 13 . 1 1 33 33 VAL H H 31 8.860 8.860 7.577 1.283 17967 4809 1 13 . 1 1 34 34 TYR N N 32 124.310 124.310 117.730 6.580 17967 4810 1 13 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.543 -0.103 17967 4811 1 13 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.594 0.436 17967 4812 1 13 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.254 1.876 17967 4813 1 13 . 1 1 34 34 TYR H H 32 8.590 8.590 7.470 1.120 17967 4814 1 13 . 1 1 35 35 CYS N N 33 119.810 119.810 116.652 3.158 17967 4815 1 13 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.601 0.239 17967 4816 1 13 . 1 1 35 35 CYS CA C 33 59.430 59.430 59.013 0.417 17967 4817 1 13 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.647 4.583 17967 4818 1 13 . 1 1 35 35 CYS H H 33 8.070 8.070 8.319 -0.249 17967 4819 1 13 . 1 1 36 36 LYS N N 34 119.910 119.910 115.296 4.614 17967 4820 1 13 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.931 0.259 17967 4821 1 13 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.245 0.585 17967 4822 1 13 . 1 1 36 36 LYS CB C 34 29.330 29.330 29.487 -0.157 17967 4823 1 13 . 1 1 36 36 LYS H H 34 7.860 7.860 8.040 -0.180 17967 4824 1 13 . 1 1 37 37 GLN N N 35 120.710 120.710 114.015 6.695 17967 4825 1 13 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.651 -0.291 17967 4826 1 13 . 1 1 37 37 GLN CA C 35 55.430 55.430 53.677 1.753 17967 4827 1 13 . 1 1 37 37 GLN CB C 35 29.630 29.630 30.635 -1.005 17967 4828 1 13 . 1 1 37 37 GLN H H 35 8.270 8.270 7.778 0.492 17967 4829 1 13 . 1 1 38 38 GLN N N 36 123.710 123.710 122.184 1.526 17967 4830 1 13 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.230 0.070 17967 4831 1 13 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.494 0.236 17967 4832 1 13 . 1 1 38 38 GLN CB C 36 29.330 29.330 29.066 0.264 17967 4833 1 13 . 1 1 38 38 GLN H H 36 8.640 8.640 8.530 0.110 17967 4834 1 13 . 1 1 39 39 LEU N N 37 131.310 131.310 125.892 5.418 17967 4835 1 13 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.150 -0.040 17967 4836 1 13 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.311 2.019 17967 4837 1 13 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.544 -0.613 17967 4838 1 13 . 1 1 39 39 LEU H H 37 8.870 8.870 7.745 1.125 17967 4839 1 13 . 1 1 40 40 LEU N N 38 126.310 126.310 123.421 2.889 17967 4840 1 13 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.294 0.016 17967 4841 1 13 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.992 -0.762 17967 4842 1 13 . 1 1 40 40 LEU CB C 38 43.130 43.130 42.869 0.261 17967 4843 1 13 . 1 1 40 40 LEU H H 38 9.850 9.850 8.396 1.454 17967 4844 1 13 . 1 1 41 41 ARG N N 39 127.110 127.110 125.973 1.137 17967 4845 1 13 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.727 -0.207 17967 4846 1 13 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.611 -1.781 17967 4847 1 13 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.936 -3.006 17967 4848 1 13 . 1 1 41 41 ARG H H 39 8.970 8.970 8.860 0.110 17967 4849 1 13 . 1 1 42 42 ARG N N 40 115.810 115.810 119.521 -3.711 17967 4850 1 13 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.252 -0.172 17967 4851 1 13 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.242 -0.112 17967 4852 1 13 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.155 0.175 17967 4853 1 13 . 1 1 42 42 ARG H H 40 8.610 8.610 8.668 -0.058 17967 4854 1 13 . 1 1 43 43 GLU N N 41 119.910 119.910 118.725 1.185 17967 4855 1 13 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.430 -0.180 17967 4856 1 13 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.709 0.321 17967 4857 1 13 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.199 1.131 17967 4858 1 13 . 1 1 43 43 GLU H H 41 6.950 6.950 7.888 -0.938 17967 4859 1 13 . 1 1 44 44 VAL N N 42 125.010 125.010 120.563 4.447 17967 4860 1 13 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.593 -0.353 17967 4861 1 13 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.479 1.151 17967 4862 1 13 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.057 0.273 17967 4863 1 13 . 1 1 44 44 VAL H H 42 7.820 7.820 7.947 -0.127 17967 4864 1 13 . 1 1 45 45 TYR N N 43 118.410 118.410 119.017 -0.607 17967 4865 1 13 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.148 0.282 17967 4866 1 13 . 1 1 45 45 TYR CA C 43 58.830 58.830 61.069 -2.239 17967 4867 1 13 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.373 -0.644 17967 4868 1 13 . 1 1 45 45 TYR H H 43 7.820 7.820 8.179 -0.359 17967 4869 1 13 . 1 1 46 46 ASP N N 44 122.410 122.410 120.180 2.230 17967 4870 1 13 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.337 0.263 17967 4871 1 13 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.971 -0.141 17967 4872 1 13 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.384 0.646 17967 4873 1 13 . 1 1 46 46 ASP H H 44 8.540 8.540 8.392 0.148 17967 4874 1 13 . 1 1 47 47 PHE N N 45 126.210 126.210 120.106 6.104 17967 4875 1 13 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.037 -0.127 17967 4876 1 13 . 1 1 47 47 PHE CA C 45 62.630 62.630 62.248 0.383 17967 4877 1 13 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.037 0.293 17967 4878 1 13 . 1 1 47 47 PHE H H 45 8.320 8.320 8.001 0.319 17967 4879 1 13 . 1 1 48 48 ALA N N 46 119.110 119.110 119.612 -0.502 17967 4880 1 13 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.305 0.215 17967 4881 1 13 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.884 0.346 17967 4882 1 13 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.638 0.092 17967 4883 1 13 . 1 1 48 48 ALA H H 46 7.740 7.740 7.823 -0.083 17967 4884 1 13 . 1 1 49 49 ARG N N 47 124.010 124.010 118.536 5.474 17967 4885 1 13 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.269 -0.219 17967 4886 1 13 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.599 2.031 17967 4887 1 13 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.548 -0.118 17967 4888 1 13 . 1 1 49 49 ARG H H 47 8.500 8.500 8.371 0.129 17967 4889 1 13 . 1 1 50 50 ARG N N 48 119.110 119.110 118.224 0.886 17967 4890 1 13 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.483 -0.473 17967 4891 1 13 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.963 2.167 17967 4892 1 13 . 1 1 50 50 ARG CB C 48 31.130 31.130 31.562 -0.432 17967 4893 1 13 . 1 1 50 50 ARG H H 48 7.940 7.940 8.031 -0.091 17967 4894 1 13 . 1 1 51 51 ASP N N 49 120.910 120.910 119.744 1.166 17967 4895 1 13 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.787 -0.367 17967 4896 1 13 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.562 0.968 17967 4897 1 13 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.661 -0.731 17967 4898 1 13 . 1 1 51 51 ASP H H 49 7.950 7.950 8.376 -0.426 17967 4899 1 13 . 1 1 52 52 LEU N N 50 118.410 118.410 122.512 -4.102 17967 4900 1 13 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.672 -0.522 17967 4901 1 13 . 1 1 52 52 LEU CA C 50 54.230 54.230 52.948 1.282 17967 4902 1 13 . 1 1 52 52 LEU CB C 50 41.130 41.130 43.886 -2.756 17967 4903 1 13 . 1 1 52 52 LEU H H 50 6.640 6.640 7.316 -0.676 17967 4904 1 13 . 1 1 53 53 CYS N N 51 117.410 117.410 117.458 -0.048 17967 4905 1 13 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.287 -0.357 17967 4906 1 13 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.245 2.685 17967 4907 1 13 . 1 1 53 53 CYS CB C 51 28.630 28.630 29.962 -1.332 17967 4908 1 13 . 1 1 53 53 CYS H H 51 8.030 8.030 8.285 -0.255 17967 4909 1 13 . 1 1 54 54 ILE N N 52 125.110 125.110 123.823 1.287 17967 4910 1 13 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.280 -0.270 17967 4911 1 13 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.898 -2.268 17967 4912 1 13 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.989 -1.659 17967 4913 1 13 . 1 1 54 54 ILE H H 52 8.500 8.500 8.722 -0.222 17967 4914 1 13 . 1 1 55 55 VAL N N 53 127.010 127.010 123.077 3.933 17967 4915 1 13 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.532 -0.162 17967 4916 1 13 . 1 1 55 55 VAL CA C 53 60.630 60.630 59.789 0.841 17967 4917 1 13 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.530 1.700 17967 4918 1 13 . 1 1 55 55 VAL H H 53 8.130 8.130 8.358 -0.228 17967 4919 1 13 . 1 1 56 56 TYR N N 54 124.910 124.910 126.076 -1.166 17967 4920 1 13 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.307 0.093 17967 4921 1 13 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.458 -0.128 17967 4922 1 13 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.246 1.784 17967 4923 1 13 . 1 1 56 56 TYR H H 54 8.700 8.700 8.555 0.145 17967 4924 1 13 . 1 1 57 57 ARG N N 55 123.810 123.810 125.646 -1.836 17967 4925 1 13 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.370 0.270 17967 4926 1 13 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.675 -0.245 17967 4927 1 13 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.415 2.416 17967 4928 1 13 . 1 1 57 57 ARG H H 55 8.870 8.870 8.375 0.495 17967 4929 1 13 . 1 1 58 58 ASP N N 56 129.110 129.110 125.896 3.214 17967 4930 1 13 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.294 0.016 17967 4931 1 13 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.625 -0.795 17967 4932 1 13 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.139 -0.009 17967 4933 1 13 . 1 1 58 58 ASP H H 56 9.620 9.620 9.109 0.511 17967 4934 1 13 . 1 1 59 59 GLY N N 57 104.510 104.510 107.436 -2.926 17967 4935 1 13 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.108 0.522 17967 4936 1 13 . 1 1 59 59 GLY H H 57 8.720 8.720 8.477 0.243 17967 4937 1 13 . 1 1 60 60 ASN N N 58 122.210 122.210 118.573 3.637 17967 4938 1 13 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.247 0.153 17967 4939 1 13 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.908 -0.578 17967 4940 1 13 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.183 -0.753 17967 4941 1 13 . 1 1 60 60 ASN H H 58 8.120 8.120 7.984 0.136 17967 4942 1 13 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.768 0.022 17967 4943 1 13 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.516 -0.486 17967 4944 1 13 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.300 2.230 17967 4945 1 13 . 1 1 62 62 TYR N N 60 119.810 119.810 122.821 -3.011 17967 4946 1 13 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.550 -0.190 17967 4947 1 13 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.377 1.853 17967 4948 1 13 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.228 1.202 17967 4949 1 13 . 1 1 62 62 TYR H H 60 8.590 8.590 7.643 0.947 17967 4950 1 13 . 1 1 63 63 ALA N N 61 123.810 123.810 122.972 0.838 17967 4951 1 13 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.042 0.378 17967 4952 1 13 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.834 -0.504 17967 4953 1 13 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.122 0.207 17967 4954 1 13 . 1 1 63 63 ALA H H 61 8.010 8.010 8.539 -0.529 17967 4955 1 13 . 1 1 64 64 VAL N N 62 120.510 120.510 117.206 3.304 17967 4956 1 13 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.376 1.124 17967 4957 1 13 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.411 -0.181 17967 4958 1 13 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.900 2.430 17967 4959 1 13 . 1 1 64 64 VAL H H 62 6.380 6.380 8.302 -1.922 17967 4960 1 13 . 1 1 65 65 CYS N N 63 130.310 130.310 124.863 5.447 17967 4961 1 13 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.525 0.035 17967 4962 1 13 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.978 0.452 17967 4963 1 13 . 1 1 65 65 CYS CB C 63 31.130 31.130 29.936 1.194 17967 4964 1 13 . 1 1 65 65 CYS H H 63 9.430 9.430 8.434 0.996 17967 4965 1 13 . 1 1 66 66 ASP N N 64 121.110 121.110 120.808 0.302 17967 4966 1 13 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.261 0.149 17967 4967 1 13 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.168 0.062 17967 4968 1 13 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.976 1.354 17967 4969 1 13 . 1 1 66 66 ASP H H 64 9.120 9.120 8.861 0.259 17967 4970 1 13 . 1 1 67 67 LYS N N 65 122.110 122.110 119.925 2.185 17967 4971 1 13 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.762 0.248 17967 4972 1 13 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.879 1.252 17967 4973 1 13 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.155 0.675 17967 4974 1 13 . 1 1 67 67 LYS H H 65 8.330 8.330 7.533 0.797 17967 4975 1 13 . 1 1 68 68 CYS N N 66 125.610 125.610 118.983 6.627 17967 4976 1 13 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.308 -0.198 17967 4977 1 13 . 1 1 68 68 CYS CA C 66 63.530 63.530 63.707 -0.177 17967 4978 1 13 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.166 4.564 17967 4979 1 13 . 1 1 68 68 CYS H H 66 8.700 8.700 7.775 0.925 17967 4980 1 13 . 1 1 69 69 LEU N N 67 125.310 125.310 120.765 4.545 17967 4981 1 13 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.024 -0.024 17967 4982 1 13 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.362 0.168 17967 4983 1 13 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.702 0.428 17967 4984 1 13 . 1 1 69 69 LEU H H 67 8.470 8.470 8.537 -0.067 17967 4985 1 13 . 1 1 70 70 LYS N N 68 119.010 119.010 118.143 0.867 17967 4986 1 13 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.283 -0.303 17967 4987 1 13 . 1 1 70 70 LYS CA C 68 58.830 58.830 57.997 0.833 17967 4988 1 13 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.622 0.508 17967 4989 1 13 . 1 1 70 70 LYS H H 68 7.810 7.810 7.662 0.148 17967 4990 1 13 . 1 1 71 71 PHE N N 69 121.710 121.710 118.887 2.823 17967 4991 1 13 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.219 0.061 17967 4992 1 13 . 1 1 71 71 PHE CA C 69 59.930 59.930 59.617 0.313 17967 4993 1 13 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.040 0.390 17967 4994 1 13 . 1 1 71 71 PHE H H 69 7.810 7.810 7.452 0.358 17967 4995 1 13 . 1 1 72 72 TYR N N 70 120.110 120.110 115.385 4.725 17967 4996 1 13 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.738 -0.418 17967 4997 1 13 . 1 1 72 72 TYR CA C 70 60.330 60.330 56.347 3.983 17967 4998 1 13 . 1 1 72 72 TYR CB C 70 40.430 40.430 37.345 3.085 17967 4999 1 13 . 1 1 72 72 TYR H H 70 8.280 8.280 8.655 -0.375 17967 5000 1 13 . 1 1 73 73 SER N N 71 117.210 117.210 116.595 0.615 17967 5001 1 13 . 1 1 73 73 SER HA H 71 4.320 4.320 4.332 -0.012 17967 5002 1 13 . 1 1 73 73 SER CA C 71 60.130 60.130 60.653 -0.522 17967 5003 1 13 . 1 1 73 73 SER CB C 71 63.630 63.630 62.755 0.875 17967 5004 1 13 . 1 1 73 73 SER H H 71 7.870 7.870 8.475 -0.605 17967 5005 1 13 . 1 1 74 74 LYS N N 72 122.810 122.810 122.921 -0.111 17967 5006 1 13 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.136 0.134 17967 5007 1 13 . 1 1 74 74 LYS CA C 72 56.930 56.930 58.273 -1.343 17967 5008 1 13 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.335 0.295 17967 5009 1 13 . 1 1 74 74 LYS H H 72 7.800 7.800 7.927 -0.127 17967 5010 1 13 . 1 1 75 75 ILE N N 73 121.610 121.610 118.063 3.547 17967 5011 1 13 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.005 0.105 17967 5012 1 13 . 1 1 75 75 ILE CA C 73 61.830 61.830 64.702 -2.872 17967 5013 1 13 . 1 1 75 75 ILE CB C 73 38.630 38.630 38.232 0.398 17967 5014 1 13 . 1 1 75 75 ILE H H 73 7.750 7.750 7.772 -0.022 17967 5015 1 13 . 1 1 76 76 SER N N 74 120.410 120.410 111.920 8.490 17967 5016 1 13 . 1 1 76 76 SER HA H 74 4.300 4.300 3.926 0.374 17967 5017 1 13 . 1 1 76 76 SER CA C 74 59.330 59.330 61.280 -1.950 17967 5018 1 13 . 1 1 76 76 SER CB C 74 63.830 63.830 61.265 2.565 17967 5019 1 13 . 1 1 76 76 SER H H 74 8.130 8.130 8.693 -0.563 17967 5020 1 13 . 1 1 77 77 GLU N N 75 123.810 123.810 122.664 1.146 17967 5021 1 13 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.319 -0.129 17967 5022 1 13 . 1 1 77 77 GLU CA C 75 57.330 57.330 57.256 0.074 17967 5023 1 13 . 1 1 77 77 GLU CB C 75 30.130 30.130 31.073 -0.943 17967 5024 1 13 . 1 1 77 77 GLU H H 75 8.270 8.270 8.127 0.143 17967 5025 1 13 . 1 1 78 78 TYR N N 76 122.410 122.410 119.609 2.801 17967 5026 1 13 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.704 -0.244 17967 5027 1 13 . 1 1 78 78 TYR CA C 76 58.130 58.130 58.905 -0.775 17967 5028 1 13 . 1 1 78 78 TYR CB C 76 38.630 38.630 39.340 -0.710 17967 5029 1 13 . 1 1 78 78 TYR H H 76 7.980 7.980 7.739 0.241 17967 5030 1 13 . 1 1 79 79 ARG N N 77 124.710 124.710 127.501 -2.791 17967 5031 1 13 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.575 -0.375 17967 5032 1 13 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.405 0.625 17967 5033 1 13 . 1 1 79 79 ARG CB C 77 31.030 31.030 32.242 -1.212 17967 5034 1 13 . 1 1 79 79 ARG H H 77 7.880 7.880 8.421 -0.541 17967 5035 1 13 . 1 1 80 80 HIS N N 78 122.110 122.110 118.351 3.759 17967 5036 1 13 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.646 -0.136 17967 5037 1 13 . 1 1 80 80 HIS CA C 78 56.330 56.330 54.922 1.408 17967 5038 1 13 . 1 1 80 80 HIS CB C 78 30.830 30.830 29.897 0.933 17967 5039 1 13 . 1 1 80 80 HIS H H 78 8.120 8.120 8.295 -0.175 17967 5040 1 13 . 1 1 81 81 TYR N N 79 123.610 123.610 120.481 3.129 17967 5041 1 13 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.472 0.118 17967 5042 1 13 . 1 1 81 81 TYR CA C 79 57.830 57.830 58.248 -0.417 17967 5043 1 13 . 1 1 81 81 TYR CB C 79 39.130 39.130 38.480 0.650 17967 5044 1 13 . 1 1 81 81 TYR H H 79 7.970 7.970 7.851 0.119 17967 5045 1 14 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.354 -0.064 17967 5046 1 14 . 1 1 2 2 ALA CA C 0 52.530 52.530 51.585 0.945 17967 5047 1 14 . 1 1 2 2 ALA CB C 0 19.730 19.730 20.696 -0.966 17967 5048 1 14 . 1 1 3 3 MET N N 1 122.210 122.210 118.475 3.735 17967 5049 1 14 . 1 1 3 3 MET HA H 1 4.300 4.300 4.531 -0.231 17967 5050 1 14 . 1 1 3 3 MET CA C 1 56.030 56.030 55.092 0.938 17967 5051 1 14 . 1 1 3 3 MET CB C 1 33.430 33.430 32.916 0.513 17967 5052 1 14 . 1 1 3 3 MET H H 1 8.370 8.370 8.061 0.309 17967 5053 1 14 . 1 1 4 4 PHE N N 2 122.310 122.310 122.407 -0.097 17967 5054 1 14 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.989 -0.359 17967 5055 1 14 . 1 1 4 4 PHE CA C 2 57.330 57.330 55.597 1.733 17967 5056 1 14 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.317 -0.887 17967 5057 1 14 . 1 1 4 4 PHE H H 2 8.370 8.370 8.258 0.112 17967 5058 1 14 . 1 1 5 5 GLN N N 3 123.510 123.510 122.584 0.926 17967 5059 1 14 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.562 -0.382 17967 5060 1 14 . 1 1 5 5 GLN CA C 3 56.130 56.130 55.097 1.033 17967 5061 1 14 . 1 1 5 5 GLN CB C 3 29.930 29.930 31.387 -1.457 17967 5062 1 14 . 1 1 5 5 GLN H H 3 8.260 8.260 9.802 -1.542 17967 5063 1 14 . 1 1 6 6 ASP N N 4 125.010 125.010 118.871 6.139 17967 5064 1 14 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.693 0.097 17967 5065 1 14 . 1 1 6 6 ASP CA C 4 51.930 51.930 52.537 -0.607 17967 5066 1 14 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.588 1.142 17967 5067 1 14 . 1 1 6 6 ASP H H 4 8.420 8.420 8.454 -0.034 17967 5068 1 14 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.381 -0.261 17967 5069 1 14 . 1 1 7 7 PRO CA C 5 64.030 64.030 64.175 -0.145 17967 5070 1 14 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.416 -0.086 17967 5071 1 14 . 1 1 8 8 GLN N N 6 119.710 119.710 117.542 2.168 17967 5072 1 14 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.325 -0.165 17967 5073 1 14 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.156 1.474 17967 5074 1 14 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.127 1.203 17967 5075 1 14 . 1 1 8 8 GLN H H 6 8.430 8.430 8.045 0.385 17967 5076 1 14 . 1 1 9 9 GLU N N 7 122.110 122.110 122.057 0.053 17967 5077 1 14 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.066 0.134 17967 5078 1 14 . 1 1 9 9 GLU CA C 7 56.030 56.030 57.728 -1.698 17967 5079 1 14 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.412 0.118 17967 5080 1 14 . 1 1 9 9 GLU H H 7 7.940 7.940 7.830 0.110 17967 5081 1 14 . 1 1 10 10 ARG N N 8 123.410 123.410 116.391 7.019 17967 5082 1 14 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.348 0.052 17967 5083 1 14 . 1 1 10 10 ARG CA C 8 54.130 54.130 51.535 2.595 17967 5084 1 14 . 1 1 10 10 ARG CB C 8 29.330 29.330 30.311 -0.981 17967 5085 1 14 . 1 1 10 10 ARG H H 8 7.660 7.660 7.611 0.049 17967 5086 1 14 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.483 -0.133 17967 5087 1 14 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.691 0.839 17967 5088 1 14 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.161 -0.531 17967 5089 1 14 . 1 1 12 12 ARG N N 10 123.810 123.810 115.693 8.117 17967 5090 1 14 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.812 -0.142 17967 5091 1 14 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.751 1.079 17967 5092 1 14 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.747 0.782 17967 5093 1 14 . 1 1 12 12 ARG H H 10 8.710 8.710 8.616 0.094 17967 5094 1 14 . 1 1 13 13 LYS N N 11 118.410 118.410 118.619 -0.209 17967 5095 1 14 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.758 0.292 17967 5096 1 14 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.646 -1.316 17967 5097 1 14 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.891 0.539 17967 5098 1 14 . 1 1 13 13 LYS H H 11 7.800 7.800 7.564 0.236 17967 5099 1 14 . 1 1 14 14 LEU N N 12 125.010 125.010 125.798 -0.788 17967 5100 1 14 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.232 -0.062 17967 5101 1 14 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.600 0.130 17967 5102 1 14 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.811 0.719 17967 5103 1 14 . 1 1 14 14 LEU H H 12 10.210 10.210 9.298 0.912 17967 5104 1 14 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.276 -0.056 17967 5105 1 14 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.474 1.756 17967 5106 1 14 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.227 -0.497 17967 5107 1 14 . 1 1 16 16 GLN N N 14 117.810 117.810 117.840 -0.030 17967 5108 1 14 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.117 0.073 17967 5109 1 14 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.962 0.068 17967 5110 1 14 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.455 0.175 17967 5111 1 14 . 1 1 16 16 GLN H H 14 7.110 7.110 8.245 -1.135 17967 5112 1 14 . 1 1 17 17 LEU N N 15 124.710 124.710 121.842 2.868 17967 5113 1 14 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.115 -0.105 17967 5114 1 14 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.684 0.646 17967 5115 1 14 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.786 0.244 17967 5116 1 14 . 1 1 17 17 LEU H H 15 8.010 8.010 8.167 -0.157 17967 5117 1 14 . 1 1 18 18 CYS N N 16 117.210 117.210 116.552 0.658 17967 5118 1 14 . 1 1 18 18 CYS HA H 16 3.750 3.750 4.057 -0.307 17967 5119 1 14 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.877 0.853 17967 5120 1 14 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.935 0.295 17967 5121 1 14 . 1 1 18 18 CYS H H 16 8.380 8.380 8.320 0.060 17967 5122 1 14 . 1 1 19 19 THR N N 17 117.810 117.810 115.596 2.214 17967 5123 1 14 . 1 1 19 19 THR HA H 17 4.000 4.000 4.038 -0.038 17967 5124 1 14 . 1 1 19 19 THR CA C 17 66.830 66.830 67.497 -0.667 17967 5125 1 14 . 1 1 19 19 THR CB C 17 68.830 68.830 68.461 0.369 17967 5126 1 14 . 1 1 19 19 THR H H 17 7.720 7.720 7.605 0.115 17967 5127 1 14 . 1 1 20 20 GLU N N 18 125.410 125.410 121.092 4.318 17967 5128 1 14 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.110 -0.040 17967 5129 1 14 . 1 1 20 20 GLU CA C 18 59.730 59.730 59.292 0.438 17967 5130 1 14 . 1 1 20 20 GLU CB C 18 29.730 29.730 28.846 0.884 17967 5131 1 14 . 1 1 20 20 GLU H H 18 8.010 8.010 7.772 0.238 17967 5132 1 14 . 1 1 21 21 LEU N N 19 118.810 118.810 116.751 2.059 17967 5133 1 14 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.444 -0.144 17967 5134 1 14 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.130 -0.300 17967 5135 1 14 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.796 0.534 17967 5136 1 14 . 1 1 21 21 LEU H H 19 8.010 8.010 7.805 0.205 17967 5137 1 14 . 1 1 22 22 GLN N N 20 118.310 118.310 115.213 3.097 17967 5138 1 14 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.017 -0.067 17967 5139 1 14 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.040 -0.310 17967 5140 1 14 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.073 0.057 17967 5141 1 14 . 1 1 22 22 GLN H H 20 7.860 7.860 7.792 0.068 17967 5142 1 14 . 1 1 23 23 THR N N 21 115.910 115.910 111.186 4.724 17967 5143 1 14 . 1 1 23 23 THR HA H 21 4.950 4.950 4.563 0.387 17967 5144 1 14 . 1 1 23 23 THR CA C 21 58.530 58.530 59.806 -1.276 17967 5145 1 14 . 1 1 23 23 THR CB C 21 70.330 70.330 70.121 0.209 17967 5146 1 14 . 1 1 23 23 THR H H 21 8.250 8.250 8.416 -0.166 17967 5147 1 14 . 1 1 24 24 THR N N 22 112.810 112.810 114.131 -1.321 17967 5148 1 14 . 1 1 24 24 THR HA H 22 4.880 4.880 4.606 0.274 17967 5149 1 14 . 1 1 24 24 THR CA C 22 59.730 59.730 60.381 -0.651 17967 5150 1 14 . 1 1 24 24 THR CB C 22 74.130 74.130 71.290 2.840 17967 5151 1 14 . 1 1 24 24 THR H H 22 8.660 8.660 7.933 0.727 17967 5152 1 14 . 1 1 25 25 ILE N N 23 123.710 123.710 120.501 3.209 17967 5153 1 14 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.699 0.081 17967 5154 1 14 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.311 -0.881 17967 5155 1 14 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.804 0.826 17967 5156 1 14 . 1 1 25 25 ILE H H 23 9.060 9.060 8.288 0.772 17967 5157 1 14 . 1 1 26 26 HIS N N 24 119.510 119.510 113.639 5.871 17967 5158 1 14 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.670 -0.230 17967 5159 1 14 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.941 1.089 17967 5160 1 14 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.259 1.571 17967 5161 1 14 . 1 1 26 26 HIS H H 24 7.040 7.040 7.505 -0.465 17967 5162 1 14 . 1 1 27 27 ASP N N 25 116.810 116.810 118.391 -1.581 17967 5163 1 14 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.658 0.102 17967 5164 1 14 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.261 0.169 17967 5165 1 14 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.145 1.185 17967 5166 1 14 . 1 1 27 27 ASP H H 25 7.250 7.250 7.574 -0.324 17967 5167 1 14 . 1 1 28 28 ILE N N 26 123.210 123.210 122.243 0.967 17967 5168 1 14 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.869 0.061 17967 5169 1 14 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.615 0.414 17967 5170 1 14 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.735 -0.805 17967 5171 1 14 . 1 1 28 28 ILE H H 26 7.750 7.750 7.926 -0.176 17967 5172 1 14 . 1 1 29 29 ILE N N 27 131.110 131.110 129.246 1.864 17967 5173 1 14 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.105 0.275 17967 5174 1 14 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.972 -1.142 17967 5175 1 14 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.240 1.390 17967 5176 1 14 . 1 1 29 29 ILE H H 27 8.270 8.270 8.391 -0.121 17967 5177 1 14 . 1 1 30 30 LEU N N 28 129.410 129.410 129.390 0.020 17967 5178 1 14 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.683 -0.023 17967 5179 1 14 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.412 -0.882 17967 5180 1 14 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.678 2.652 17967 5181 1 14 . 1 1 30 30 LEU H H 28 8.500 8.500 8.292 0.208 17967 5182 1 14 . 1 1 31 31 GLU N N 29 121.910 121.910 120.649 1.261 17967 5183 1 14 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.807 -0.127 17967 5184 1 14 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.364 0.566 17967 5185 1 14 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.446 0.584 17967 5186 1 14 . 1 1 31 31 GLU H H 29 8.860 8.860 8.258 0.602 17967 5187 1 14 . 1 1 32 32 CYS N N 30 125.710 125.710 118.467 7.243 17967 5188 1 14 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.771 -0.751 17967 5189 1 14 . 1 1 32 32 CYS CA C 30 58.230 58.230 61.055 -2.825 17967 5190 1 14 . 1 1 32 32 CYS CB C 30 31.730 31.730 26.125 5.605 17967 5191 1 14 . 1 1 32 32 CYS H H 30 8.270 8.270 8.615 -0.345 17967 5192 1 14 . 1 1 33 33 VAL N N 31 132.310 132.310 125.551 6.759 17967 5193 1 14 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.070 0.030 17967 5194 1 14 . 1 1 33 33 VAL CA C 31 64.230 64.230 64.464 -0.234 17967 5195 1 14 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.032 -0.402 17967 5196 1 14 . 1 1 33 33 VAL H H 31 8.860 8.860 7.679 1.181 17967 5197 1 14 . 1 1 34 34 TYR N N 32 124.310 124.310 115.685 8.625 17967 5198 1 14 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.515 -0.075 17967 5199 1 14 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.244 0.786 17967 5200 1 14 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.123 2.007 17967 5201 1 14 . 1 1 34 34 TYR H H 32 8.590 8.590 7.046 1.544 17967 5202 1 14 . 1 1 35 35 CYS N N 33 119.810 119.810 116.280 3.530 17967 5203 1 14 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.370 0.470 17967 5204 1 14 . 1 1 35 35 CYS CA C 33 59.430 59.430 59.870 -0.440 17967 5205 1 14 . 1 1 35 35 CYS CB C 33 32.230 32.230 26.800 5.430 17967 5206 1 14 . 1 1 35 35 CYS H H 33 8.070 8.070 8.035 0.035 17967 5207 1 14 . 1 1 36 36 LYS N N 34 119.910 119.910 114.899 5.011 17967 5208 1 14 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.931 0.259 17967 5209 1 14 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.162 0.668 17967 5210 1 14 . 1 1 36 36 LYS CB C 34 29.330 29.330 29.621 -0.291 17967 5211 1 14 . 1 1 36 36 LYS H H 34 7.860 7.860 8.009 -0.149 17967 5212 1 14 . 1 1 37 37 GLN N N 35 120.710 120.710 116.834 3.876 17967 5213 1 14 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.549 -0.189 17967 5214 1 14 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.269 1.161 17967 5215 1 14 . 1 1 37 37 GLN CB C 35 29.630 29.630 30.940 -1.310 17967 5216 1 14 . 1 1 37 37 GLN H H 35 8.270 8.270 7.917 0.353 17967 5217 1 14 . 1 1 38 38 GLN N N 36 123.710 123.710 125.721 -2.011 17967 5218 1 14 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.216 0.084 17967 5219 1 14 . 1 1 38 38 GLN CA C 36 56.730 56.730 57.006 -0.276 17967 5220 1 14 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.928 0.402 17967 5221 1 14 . 1 1 38 38 GLN H H 36 8.640 8.640 8.576 0.064 17967 5222 1 14 . 1 1 39 39 LEU N N 37 131.310 131.310 126.366 4.944 17967 5223 1 14 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.196 -0.086 17967 5224 1 14 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.179 2.151 17967 5225 1 14 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.612 -0.682 17967 5226 1 14 . 1 1 39 39 LEU H H 37 8.870 8.870 7.767 1.103 17967 5227 1 14 . 1 1 40 40 LEU N N 38 126.310 126.310 123.681 2.629 17967 5228 1 14 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.335 -0.025 17967 5229 1 14 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.792 -0.562 17967 5230 1 14 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.072 0.058 17967 5231 1 14 . 1 1 40 40 LEU H H 38 9.850 9.850 8.332 1.518 17967 5232 1 14 . 1 1 41 41 ARG N N 39 127.110 127.110 125.750 1.360 17967 5233 1 14 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.741 -0.221 17967 5234 1 14 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.740 -1.910 17967 5235 1 14 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.729 -2.799 17967 5236 1 14 . 1 1 41 41 ARG H H 39 8.970 8.970 8.931 0.039 17967 5237 1 14 . 1 1 42 42 ARG N N 40 115.810 115.810 117.571 -1.761 17967 5238 1 14 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.296 -0.216 17967 5239 1 14 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.055 0.075 17967 5240 1 14 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.139 0.191 17967 5241 1 14 . 1 1 42 42 ARG H H 40 8.610 8.610 8.627 -0.017 17967 5242 1 14 . 1 1 43 43 GLU N N 41 119.910 119.910 119.202 0.708 17967 5243 1 14 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.627 -0.377 17967 5244 1 14 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.223 0.807 17967 5245 1 14 . 1 1 43 43 GLU CB C 41 30.330 30.330 28.959 1.371 17967 5246 1 14 . 1 1 43 43 GLU H H 41 6.950 6.950 7.917 -0.967 17967 5247 1 14 . 1 1 44 44 VAL N N 42 125.010 125.010 119.813 5.197 17967 5248 1 14 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.640 -0.400 17967 5249 1 14 . 1 1 44 44 VAL CA C 42 67.630 67.630 65.324 2.306 17967 5250 1 14 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.775 0.555 17967 5251 1 14 . 1 1 44 44 VAL H H 42 7.820 7.820 8.026 -0.206 17967 5252 1 14 . 1 1 45 45 TYR N N 43 118.410 118.410 119.300 -0.890 17967 5253 1 14 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.181 0.249 17967 5254 1 14 . 1 1 45 45 TYR CA C 43 58.830 58.830 61.308 -2.478 17967 5255 1 14 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.301 -0.571 17967 5256 1 14 . 1 1 45 45 TYR H H 43 7.820 7.820 8.085 -0.265 17967 5257 1 14 . 1 1 46 46 ASP N N 44 122.410 122.410 120.349 2.061 17967 5258 1 14 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.326 0.274 17967 5259 1 14 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.802 0.028 17967 5260 1 14 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.255 0.775 17967 5261 1 14 . 1 1 46 46 ASP H H 44 8.540 8.540 7.973 0.567 17967 5262 1 14 . 1 1 47 47 PHE N N 45 126.210 126.210 119.703 6.507 17967 5263 1 14 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.031 -0.121 17967 5264 1 14 . 1 1 47 47 PHE CA C 45 62.630 62.630 62.205 0.425 17967 5265 1 14 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.063 0.267 17967 5266 1 14 . 1 1 47 47 PHE H H 45 8.320 8.320 7.770 0.550 17967 5267 1 14 . 1 1 48 48 ALA N N 46 119.110 119.110 119.911 -0.801 17967 5268 1 14 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.368 0.152 17967 5269 1 14 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.835 0.395 17967 5270 1 14 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.799 -0.070 17967 5271 1 14 . 1 1 48 48 ALA H H 46 7.740 7.740 7.702 0.038 17967 5272 1 14 . 1 1 49 49 ARG N N 47 124.010 124.010 117.730 6.280 17967 5273 1 14 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.300 -0.250 17967 5274 1 14 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.324 2.306 17967 5275 1 14 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.392 0.038 17967 5276 1 14 . 1 1 49 49 ARG H H 47 8.500 8.500 8.279 0.221 17967 5277 1 14 . 1 1 50 50 ARG N N 48 119.110 119.110 118.525 0.585 17967 5278 1 14 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.502 -0.492 17967 5279 1 14 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.762 2.368 17967 5280 1 14 . 1 1 50 50 ARG CB C 48 31.130 31.130 31.663 -0.533 17967 5281 1 14 . 1 1 50 50 ARG H H 48 7.940 7.940 7.955 -0.015 17967 5282 1 14 . 1 1 51 51 ASP N N 49 120.910 120.910 120.260 0.650 17967 5283 1 14 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.712 -0.292 17967 5284 1 14 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.787 0.743 17967 5285 1 14 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.891 -0.961 17967 5286 1 14 . 1 1 51 51 ASP H H 49 7.950 7.950 8.488 -0.538 17967 5287 1 14 . 1 1 52 52 LEU N N 50 118.410 118.410 123.127 -4.717 17967 5288 1 14 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.499 -0.349 17967 5289 1 14 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.550 0.680 17967 5290 1 14 . 1 1 52 52 LEU CB C 50 41.130 41.130 43.591 -2.461 17967 5291 1 14 . 1 1 52 52 LEU H H 50 6.640 6.640 7.581 -0.941 17967 5292 1 14 . 1 1 53 53 CYS N N 51 117.410 117.410 117.429 -0.019 17967 5293 1 14 . 1 1 53 53 CYS HA H 51 4.930 4.930 4.937 -0.007 17967 5294 1 14 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.629 2.301 17967 5295 1 14 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.724 -2.094 17967 5296 1 14 . 1 1 53 53 CYS H H 51 8.030 8.030 8.058 -0.028 17967 5297 1 14 . 1 1 54 54 ILE N N 52 125.110 125.110 122.302 2.808 17967 5298 1 14 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.363 -0.353 17967 5299 1 14 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.801 -2.171 17967 5300 1 14 . 1 1 54 54 ILE CB C 52 37.330 37.330 39.217 -1.887 17967 5301 1 14 . 1 1 54 54 ILE H H 52 8.500 8.500 8.827 -0.327 17967 5302 1 14 . 1 1 55 55 VAL N N 53 127.010 127.010 122.276 4.734 17967 5303 1 14 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.622 -0.252 17967 5304 1 14 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.652 -0.022 17967 5305 1 14 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.604 1.626 17967 5306 1 14 . 1 1 55 55 VAL H H 53 8.130 8.130 8.090 0.040 17967 5307 1 14 . 1 1 56 56 TYR N N 54 124.910 124.910 127.819 -2.909 17967 5308 1 14 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.266 0.134 17967 5309 1 14 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.468 -0.138 17967 5310 1 14 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.128 1.902 17967 5311 1 14 . 1 1 56 56 TYR H H 54 8.700 8.700 8.696 0.004 17967 5312 1 14 . 1 1 57 57 ARG N N 55 123.810 123.810 124.721 -0.911 17967 5313 1 14 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.229 0.411 17967 5314 1 14 . 1 1 57 57 ARG CA C 55 55.430 55.430 56.053 -0.623 17967 5315 1 14 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.379 2.451 17967 5316 1 14 . 1 1 57 57 ARG H H 55 8.870 8.870 8.309 0.561 17967 5317 1 14 . 1 1 58 58 ASP N N 56 129.110 129.110 125.592 3.518 17967 5318 1 14 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.206 0.104 17967 5319 1 14 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.722 -0.892 17967 5320 1 14 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.220 -0.090 17967 5321 1 14 . 1 1 58 58 ASP H H 56 9.620 9.620 8.957 0.663 17967 5322 1 14 . 1 1 59 59 GLY N N 57 104.510 104.510 107.321 -2.811 17967 5323 1 14 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.188 0.442 17967 5324 1 14 . 1 1 59 59 GLY H H 57 8.720 8.720 8.444 0.276 17967 5325 1 14 . 1 1 60 60 ASN N N 58 122.210 122.210 118.503 3.707 17967 5326 1 14 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.184 0.216 17967 5327 1 14 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.757 -0.427 17967 5328 1 14 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.223 -0.793 17967 5329 1 14 . 1 1 60 60 ASN H H 58 8.120 8.120 7.871 0.249 17967 5330 1 14 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.694 0.096 17967 5331 1 14 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.529 -0.499 17967 5332 1 14 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.359 2.171 17967 5333 1 14 . 1 1 62 62 TYR N N 60 119.810 119.810 122.973 -3.163 17967 5334 1 14 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.570 -0.210 17967 5335 1 14 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.381 1.849 17967 5336 1 14 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.518 0.912 17967 5337 1 14 . 1 1 62 62 TYR H H 60 8.590 8.590 7.670 0.920 17967 5338 1 14 . 1 1 63 63 ALA N N 61 123.810 123.810 121.725 2.085 17967 5339 1 14 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.230 0.190 17967 5340 1 14 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.323 0.007 17967 5341 1 14 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.844 -0.514 17967 5342 1 14 . 1 1 63 63 ALA H H 61 8.010 8.010 8.824 -0.814 17967 5343 1 14 . 1 1 64 64 VAL N N 62 120.510 120.510 117.760 2.750 17967 5344 1 14 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.240 1.260 17967 5345 1 14 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.604 -0.374 17967 5346 1 14 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.408 2.922 17967 5347 1 14 . 1 1 64 64 VAL H H 62 6.380 6.380 8.383 -2.003 17967 5348 1 14 . 1 1 65 65 CYS N N 63 130.310 130.310 124.875 5.435 17967 5349 1 14 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.501 0.059 17967 5350 1 14 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.861 0.569 17967 5351 1 14 . 1 1 65 65 CYS CB C 63 31.130 31.130 29.860 1.270 17967 5352 1 14 . 1 1 65 65 CYS H H 63 9.430 9.430 8.064 1.366 17967 5353 1 14 . 1 1 66 66 ASP N N 64 121.110 121.110 120.059 1.051 17967 5354 1 14 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.334 0.076 17967 5355 1 14 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.078 0.152 17967 5356 1 14 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.896 1.434 17967 5357 1 14 . 1 1 66 66 ASP H H 64 9.120 9.120 8.875 0.245 17967 5358 1 14 . 1 1 67 67 LYS N N 65 122.110 122.110 118.831 3.279 17967 5359 1 14 . 1 1 67 67 LYS HA H 65 4.010 4.010 4.354 -0.344 17967 5360 1 14 . 1 1 67 67 LYS CA C 65 60.130 60.130 57.889 2.241 17967 5361 1 14 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.043 0.787 17967 5362 1 14 . 1 1 67 67 LYS H H 65 8.330 8.330 7.702 0.628 17967 5363 1 14 . 1 1 68 68 CYS N N 66 125.610 125.610 119.925 5.685 17967 5364 1 14 . 1 1 68 68 CYS HA H 66 4.110 4.110 3.663 0.447 17967 5365 1 14 . 1 1 68 68 CYS CA C 66 63.530 63.530 63.102 0.428 17967 5366 1 14 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.163 4.567 17967 5367 1 14 . 1 1 68 68 CYS H H 66 8.700 8.700 7.862 0.838 17967 5368 1 14 . 1 1 69 69 LEU N N 67 125.310 125.310 119.435 5.875 17967 5369 1 14 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.092 -0.092 17967 5370 1 14 . 1 1 69 69 LEU CA C 67 58.530 58.530 57.906 0.624 17967 5371 1 14 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.662 0.468 17967 5372 1 14 . 1 1 69 69 LEU H H 67 8.470 8.470 8.604 -0.134 17967 5373 1 14 . 1 1 70 70 LYS N N 68 119.010 119.010 118.259 0.751 17967 5374 1 14 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.238 -0.258 17967 5375 1 14 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.405 0.425 17967 5376 1 14 . 1 1 70 70 LYS CB C 68 32.130 32.130 32.066 0.064 17967 5377 1 14 . 1 1 70 70 LYS H H 68 7.810 7.810 7.337 0.473 17967 5378 1 14 . 1 1 71 71 PHE N N 69 121.710 121.710 119.134 2.576 17967 5379 1 14 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.011 0.269 17967 5380 1 14 . 1 1 71 71 PHE CA C 69 59.930 59.930 60.927 -0.997 17967 5381 1 14 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.426 0.004 17967 5382 1 14 . 1 1 71 71 PHE H H 69 7.810 7.810 7.655 0.155 17967 5383 1 14 . 1 1 72 72 TYR N N 70 120.110 120.110 116.214 3.896 17967 5384 1 14 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.789 -0.469 17967 5385 1 14 . 1 1 72 72 TYR CA C 70 60.330 60.330 57.245 3.085 17967 5386 1 14 . 1 1 72 72 TYR CB C 70 40.430 40.430 39.300 1.130 17967 5387 1 14 . 1 1 72 72 TYR H H 70 8.280 8.280 8.155 0.125 17967 5388 1 14 . 1 1 73 73 SER N N 71 117.210 117.210 120.068 -2.858 17967 5389 1 14 . 1 1 73 73 SER HA H 71 4.320 4.320 4.616 -0.296 17967 5390 1 14 . 1 1 73 73 SER CA C 71 60.130 60.130 60.210 -0.080 17967 5391 1 14 . 1 1 73 73 SER CB C 71 63.630 63.630 63.748 -0.118 17967 5392 1 14 . 1 1 73 73 SER H H 71 7.870 7.870 8.815 -0.945 17967 5393 1 14 . 1 1 74 74 LYS N N 72 122.810 122.810 122.570 0.240 17967 5394 1 14 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.379 -0.109 17967 5395 1 14 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.451 -0.521 17967 5396 1 14 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.781 -0.151 17967 5397 1 14 . 1 1 74 74 LYS H H 72 7.800 7.800 8.320 -0.520 17967 5398 1 14 . 1 1 75 75 ILE N N 73 121.610 121.610 121.618 -0.008 17967 5399 1 14 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.203 -0.093 17967 5400 1 14 . 1 1 75 75 ILE CA C 73 61.830 61.830 60.976 0.854 17967 5401 1 14 . 1 1 75 75 ILE CB C 73 38.630 38.630 36.578 2.052 17967 5402 1 14 . 1 1 75 75 ILE H H 73 7.750 7.750 8.176 -0.426 17967 5403 1 14 . 1 1 76 76 SER N N 74 120.410 120.410 116.270 4.140 17967 5404 1 14 . 1 1 76 76 SER HA H 74 4.300 4.300 4.517 -0.217 17967 5405 1 14 . 1 1 76 76 SER CA C 74 59.330 59.330 61.479 -2.149 17967 5406 1 14 . 1 1 76 76 SER CB C 74 63.830 63.830 63.782 0.048 17967 5407 1 14 . 1 1 76 76 SER H H 74 8.130 8.130 7.929 0.201 17967 5408 1 14 . 1 1 77 77 GLU N N 75 123.810 123.810 121.407 2.403 17967 5409 1 14 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.404 -0.214 17967 5410 1 14 . 1 1 77 77 GLU CA C 75 57.330 57.330 57.009 0.321 17967 5411 1 14 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.466 -0.336 17967 5412 1 14 . 1 1 77 77 GLU H H 75 8.270 8.270 8.239 0.031 17967 5413 1 14 . 1 1 78 78 TYR N N 76 122.410 122.410 119.282 3.128 17967 5414 1 14 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.355 0.105 17967 5415 1 14 . 1 1 78 78 TYR CA C 76 58.130 58.130 58.817 -0.687 17967 5416 1 14 . 1 1 78 78 TYR CB C 76 38.630 38.630 37.349 1.281 17967 5417 1 14 . 1 1 78 78 TYR H H 76 7.980 7.980 8.604 -0.624 17967 5418 1 14 . 1 1 79 79 ARG N N 77 124.710 124.710 124.662 0.048 17967 5419 1 14 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.866 -0.666 17967 5420 1 14 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.263 0.767 17967 5421 1 14 . 1 1 79 79 ARG CB C 77 31.030 31.030 30.234 0.796 17967 5422 1 14 . 1 1 79 79 ARG H H 77 7.880 7.880 8.784 -0.904 17967 5423 1 14 . 1 1 80 80 HIS N N 78 122.110 122.110 121.659 0.451 17967 5424 1 14 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.502 0.008 17967 5425 1 14 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.960 0.370 17967 5426 1 14 . 1 1 80 80 HIS CB C 78 30.830 30.830 29.866 0.963 17967 5427 1 14 . 1 1 80 80 HIS H H 78 8.120 8.120 8.421 -0.301 17967 5428 1 14 . 1 1 81 81 TYR N N 79 123.610 123.610 120.503 3.107 17967 5429 1 14 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.090 0.500 17967 5430 1 14 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.361 0.469 17967 5431 1 14 . 1 1 81 81 TYR CB C 79 39.130 39.130 37.287 1.843 17967 5432 1 14 . 1 1 81 81 TYR H H 79 7.970 7.970 7.197 0.773 17967 5433 1 15 . 1 1 2 2 ALA HA H 0 4.290 4.290 3.578 0.712 17967 5434 1 15 . 1 1 2 2 ALA CA C 0 52.530 52.530 53.028 -0.498 17967 5435 1 15 . 1 1 2 2 ALA CB C 0 19.730 19.730 18.012 1.718 17967 5436 1 15 . 1 1 3 3 MET N N 1 122.210 122.210 113.821 8.389 17967 5437 1 15 . 1 1 3 3 MET HA H 1 4.300 4.300 4.634 -0.334 17967 5438 1 15 . 1 1 3 3 MET CA C 1 56.030 56.030 54.545 1.485 17967 5439 1 15 . 1 1 3 3 MET CB C 1 33.430 33.430 31.543 1.887 17967 5440 1 15 . 1 1 3 3 MET H H 1 8.370 8.370 7.618 0.752 17967 5441 1 15 . 1 1 4 4 PHE N N 2 122.310 122.310 122.037 0.273 17967 5442 1 15 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.456 0.174 17967 5443 1 15 . 1 1 4 4 PHE CA C 2 57.330 57.330 56.613 0.717 17967 5444 1 15 . 1 1 4 4 PHE CB C 2 39.430 39.430 39.518 -0.088 17967 5445 1 15 . 1 1 4 4 PHE H H 2 8.370 8.370 7.693 0.677 17967 5446 1 15 . 1 1 5 5 GLN N N 3 123.510 123.510 121.054 2.456 17967 5447 1 15 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.570 -0.390 17967 5448 1 15 . 1 1 5 5 GLN CA C 3 56.130 56.130 54.280 1.850 17967 5449 1 15 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.419 -0.489 17967 5450 1 15 . 1 1 5 5 GLN H H 3 8.260 8.260 8.202 0.058 17967 5451 1 15 . 1 1 6 6 ASP N N 4 125.010 125.010 118.438 6.572 17967 5452 1 15 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.471 0.319 17967 5453 1 15 . 1 1 6 6 ASP CA C 4 51.930 51.930 53.769 -1.839 17967 5454 1 15 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.884 0.846 17967 5455 1 15 . 1 1 6 6 ASP H H 4 8.420 8.420 8.515 -0.095 17967 5456 1 15 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.573 -0.453 17967 5457 1 15 . 1 1 7 7 PRO CA C 5 64.030 64.030 64.143 -0.113 17967 5458 1 15 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.477 -0.147 17967 5459 1 15 . 1 1 8 8 GLN N N 6 119.710 119.710 117.683 2.027 17967 5460 1 15 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.399 -0.239 17967 5461 1 15 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.163 1.467 17967 5462 1 15 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.752 0.578 17967 5463 1 15 . 1 1 8 8 GLN H H 6 8.430 8.430 8.222 0.208 17967 5464 1 15 . 1 1 9 9 GLU N N 7 122.110 122.110 119.217 2.893 17967 5465 1 15 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.086 0.114 17967 5466 1 15 . 1 1 9 9 GLU CA C 7 56.030 56.030 57.468 -1.438 17967 5467 1 15 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.730 0.800 17967 5468 1 15 . 1 1 9 9 GLU H H 7 7.940 7.940 8.376 -0.436 17967 5469 1 15 . 1 1 10 10 ARG N N 8 123.410 123.410 119.981 3.429 17967 5470 1 15 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.486 -0.086 17967 5471 1 15 . 1 1 10 10 ARG CA C 8 54.130 54.130 54.260 -0.130 17967 5472 1 15 . 1 1 10 10 ARG CB C 8 29.330 29.330 29.638 -0.308 17967 5473 1 15 . 1 1 10 10 ARG H H 8 7.660 7.660 7.883 -0.223 17967 5474 1 15 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.553 -0.203 17967 5475 1 15 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.656 0.874 17967 5476 1 15 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.098 -0.468 17967 5477 1 15 . 1 1 12 12 ARG N N 10 123.810 123.810 115.289 8.521 17967 5478 1 15 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.712 -0.042 17967 5479 1 15 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.433 1.397 17967 5480 1 15 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.450 1.080 17967 5481 1 15 . 1 1 12 12 ARG H H 10 8.710 8.710 8.584 0.126 17967 5482 1 15 . 1 1 13 13 LYS N N 11 118.410 118.410 119.248 -0.838 17967 5483 1 15 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.857 0.193 17967 5484 1 15 . 1 1 13 13 LYS CA C 11 53.330 53.330 53.826 -0.496 17967 5485 1 15 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.532 0.898 17967 5486 1 15 . 1 1 13 13 LYS H H 11 7.800 7.800 7.583 0.217 17967 5487 1 15 . 1 1 14 14 LEU N N 12 125.010 125.010 126.090 -1.080 17967 5488 1 15 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.191 -0.021 17967 5489 1 15 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.516 0.214 17967 5490 1 15 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.956 0.573 17967 5491 1 15 . 1 1 14 14 LEU H H 12 10.210 10.210 9.221 0.989 17967 5492 1 15 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.269 -0.049 17967 5493 1 15 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.660 1.570 17967 5494 1 15 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.117 -0.387 17967 5495 1 15 . 1 1 16 16 GLN N N 14 117.810 117.810 116.931 0.879 17967 5496 1 15 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.163 0.027 17967 5497 1 15 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.625 0.405 17967 5498 1 15 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.333 0.297 17967 5499 1 15 . 1 1 16 16 GLN H H 14 7.110 7.110 8.349 -1.239 17967 5500 1 15 . 1 1 17 17 LEU N N 15 124.710 124.710 122.397 2.313 17967 5501 1 15 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.214 -0.204 17967 5502 1 15 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.606 0.724 17967 5503 1 15 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.755 0.275 17967 5504 1 15 . 1 1 17 17 LEU H H 15 8.010 8.010 8.108 -0.098 17967 5505 1 15 . 1 1 18 18 CYS N N 16 117.210 117.210 116.963 0.247 17967 5506 1 15 . 1 1 18 18 CYS HA H 16 3.750 3.750 4.019 -0.269 17967 5507 1 15 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.839 0.891 17967 5508 1 15 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.997 0.233 17967 5509 1 15 . 1 1 18 18 CYS H H 16 8.380 8.380 8.446 -0.066 17967 5510 1 15 . 1 1 19 19 THR N N 17 117.810 117.810 115.208 2.602 17967 5511 1 15 . 1 1 19 19 THR HA H 17 4.000 4.000 4.063 -0.063 17967 5512 1 15 . 1 1 19 19 THR CA C 17 66.830 66.830 67.111 -0.281 17967 5513 1 15 . 1 1 19 19 THR CB C 17 68.830 68.830 68.522 0.308 17967 5514 1 15 . 1 1 19 19 THR H H 17 7.720 7.720 7.698 0.022 17967 5515 1 15 . 1 1 20 20 GLU N N 18 125.410 125.410 120.670 4.740 17967 5516 1 15 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.206 -0.136 17967 5517 1 15 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.588 1.142 17967 5518 1 15 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.662 0.068 17967 5519 1 15 . 1 1 20 20 GLU H H 18 8.010 8.010 7.879 0.131 17967 5520 1 15 . 1 1 21 21 LEU N N 19 118.810 118.810 117.829 0.981 17967 5521 1 15 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.450 -0.150 17967 5522 1 15 . 1 1 21 21 LEU CA C 19 54.830 54.830 56.024 -1.194 17967 5523 1 15 . 1 1 21 21 LEU CB C 19 42.330 42.330 42.381 -0.051 17967 5524 1 15 . 1 1 21 21 LEU H H 19 8.010 8.010 8.142 -0.132 17967 5525 1 15 . 1 1 22 22 GLN N N 20 118.310 118.310 113.376 4.934 17967 5526 1 15 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.055 -0.105 17967 5527 1 15 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.226 -0.496 17967 5528 1 15 . 1 1 22 22 GLN CB C 20 26.130 26.130 25.991 0.139 17967 5529 1 15 . 1 1 22 22 GLN H H 20 7.860 7.860 7.973 -0.113 17967 5530 1 15 . 1 1 23 23 THR N N 21 115.910 115.910 112.612 3.298 17967 5531 1 15 . 1 1 23 23 THR HA H 21 4.950 4.950 4.572 0.378 17967 5532 1 15 . 1 1 23 23 THR CA C 21 58.530 58.530 60.261 -1.731 17967 5533 1 15 . 1 1 23 23 THR CB C 21 70.330 70.330 70.757 -0.427 17967 5534 1 15 . 1 1 23 23 THR H H 21 8.250 8.250 8.279 -0.029 17967 5535 1 15 . 1 1 24 24 THR N N 22 112.810 112.810 113.921 -1.111 17967 5536 1 15 . 1 1 24 24 THR HA H 22 4.880 4.880 4.622 0.258 17967 5537 1 15 . 1 1 24 24 THR CA C 22 59.730 59.730 60.087 -0.357 17967 5538 1 15 . 1 1 24 24 THR CB C 22 74.130 74.130 71.118 3.013 17967 5539 1 15 . 1 1 24 24 THR H H 22 8.660 8.660 7.832 0.828 17967 5540 1 15 . 1 1 25 25 ILE N N 23 123.710 123.710 120.264 3.446 17967 5541 1 15 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.729 0.051 17967 5542 1 15 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.070 -0.640 17967 5543 1 15 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.887 0.743 17967 5544 1 15 . 1 1 25 25 ILE H H 23 9.060 9.060 8.151 0.909 17967 5545 1 15 . 1 1 26 26 HIS N N 24 119.510 119.510 114.275 5.235 17967 5546 1 15 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.827 -0.387 17967 5547 1 15 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.451 1.579 17967 5548 1 15 . 1 1 26 26 HIS CB C 24 30.830 30.830 28.844 1.986 17967 5549 1 15 . 1 1 26 26 HIS H H 24 7.040 7.040 7.571 -0.531 17967 5550 1 15 . 1 1 27 27 ASP N N 25 116.810 116.810 119.321 -2.511 17967 5551 1 15 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.677 0.083 17967 5552 1 15 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.240 0.190 17967 5553 1 15 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.227 1.103 17967 5554 1 15 . 1 1 27 27 ASP H H 25 7.250 7.250 7.642 -0.392 17967 5555 1 15 . 1 1 28 28 ILE N N 26 123.210 123.210 121.468 1.742 17967 5556 1 15 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.855 0.075 17967 5557 1 15 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.497 0.533 17967 5558 1 15 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.672 -0.742 17967 5559 1 15 . 1 1 28 28 ILE H H 26 7.750 7.750 7.738 0.012 17967 5560 1 15 . 1 1 29 29 ILE N N 27 131.110 131.110 129.256 1.854 17967 5561 1 15 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.069 0.311 17967 5562 1 15 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.884 -1.054 17967 5563 1 15 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.703 0.927 17967 5564 1 15 . 1 1 29 29 ILE H H 27 8.270 8.270 8.295 -0.025 17967 5565 1 15 . 1 1 30 30 LEU N N 28 129.410 129.410 127.942 1.468 17967 5566 1 15 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.621 0.039 17967 5567 1 15 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.043 -0.513 17967 5568 1 15 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.727 2.603 17967 5569 1 15 . 1 1 30 30 LEU H H 28 8.500 8.500 8.306 0.194 17967 5570 1 15 . 1 1 31 31 GLU N N 29 121.910 121.910 120.910 1.000 17967 5571 1 15 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.726 -0.046 17967 5572 1 15 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.308 0.622 17967 5573 1 15 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.387 0.643 17967 5574 1 15 . 1 1 31 31 GLU H H 29 8.860 8.860 8.230 0.630 17967 5575 1 15 . 1 1 32 32 CYS N N 30 125.710 125.710 120.488 5.222 17967 5576 1 15 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.808 -0.788 17967 5577 1 15 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.200 -0.970 17967 5578 1 15 . 1 1 32 32 CYS CB C 30 31.730 31.730 26.908 4.822 17967 5579 1 15 . 1 1 32 32 CYS H H 30 8.270 8.270 8.387 -0.117 17967 5580 1 15 . 1 1 33 33 VAL N N 31 132.310 132.310 128.865 3.445 17967 5581 1 15 . 1 1 33 33 VAL HA H 31 3.100 3.100 2.993 0.107 17967 5582 1 15 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.878 -1.648 17967 5583 1 15 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.703 -0.073 17967 5584 1 15 . 1 1 33 33 VAL H H 31 8.860 8.860 7.931 0.929 17967 5585 1 15 . 1 1 34 34 TYR N N 32 124.310 124.310 114.378 9.932 17967 5586 1 15 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.494 -0.054 17967 5587 1 15 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.474 1.556 17967 5588 1 15 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.411 1.719 17967 5589 1 15 . 1 1 34 34 TYR H H 32 8.590 8.590 7.138 1.452 17967 5590 1 15 . 1 1 35 35 CYS N N 33 119.810 119.810 115.796 4.014 17967 5591 1 15 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.689 0.151 17967 5592 1 15 . 1 1 35 35 CYS CA C 33 59.430 59.430 58.120 1.310 17967 5593 1 15 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.313 3.917 17967 5594 1 15 . 1 1 35 35 CYS H H 33 8.070 8.070 7.527 0.543 17967 5595 1 15 . 1 1 36 36 LYS N N 34 119.910 119.910 116.813 3.097 17967 5596 1 15 . 1 1 36 36 LYS HA H 34 4.190 4.190 4.053 0.137 17967 5597 1 15 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.629 1.202 17967 5598 1 15 . 1 1 36 36 LYS CB C 34 29.330 29.330 30.366 -1.036 17967 5599 1 15 . 1 1 36 36 LYS H H 34 7.860 7.860 7.840 0.020 17967 5600 1 15 . 1 1 37 37 GLN N N 35 120.710 120.710 117.644 3.066 17967 5601 1 15 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.341 0.019 17967 5602 1 15 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.538 0.893 17967 5603 1 15 . 1 1 37 37 GLN CB C 35 29.630 29.630 28.647 0.983 17967 5604 1 15 . 1 1 37 37 GLN H H 35 8.270 8.270 7.933 0.337 17967 5605 1 15 . 1 1 38 38 GLN N N 36 123.710 123.710 127.350 -3.640 17967 5606 1 15 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.005 0.295 17967 5607 1 15 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.578 0.152 17967 5608 1 15 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.931 0.399 17967 5609 1 15 . 1 1 38 38 GLN H H 36 8.640 8.640 8.600 0.040 17967 5610 1 15 . 1 1 39 39 LEU N N 37 131.310 131.310 127.895 3.415 17967 5611 1 15 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.127 -0.017 17967 5612 1 15 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.777 1.553 17967 5613 1 15 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.416 -0.486 17967 5614 1 15 . 1 1 39 39 LEU H H 37 8.870 8.870 7.769 1.101 17967 5615 1 15 . 1 1 40 40 LEU N N 38 126.310 126.310 124.842 1.468 17967 5616 1 15 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.299 0.011 17967 5617 1 15 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.911 -0.681 17967 5618 1 15 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.095 0.035 17967 5619 1 15 . 1 1 40 40 LEU H H 38 9.850 9.850 8.545 1.305 17967 5620 1 15 . 1 1 41 41 ARG N N 39 127.110 127.110 126.238 0.872 17967 5621 1 15 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.753 -0.233 17967 5622 1 15 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.994 -2.164 17967 5623 1 15 . 1 1 41 41 ARG CB C 39 26.930 26.930 30.029 -3.099 17967 5624 1 15 . 1 1 41 41 ARG H H 39 8.970 8.970 8.878 0.092 17967 5625 1 15 . 1 1 42 42 ARG N N 40 115.810 115.810 118.303 -2.493 17967 5626 1 15 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.293 -0.213 17967 5627 1 15 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.778 -0.648 17967 5628 1 15 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.820 -0.490 17967 5629 1 15 . 1 1 42 42 ARG H H 40 8.610 8.610 8.721 -0.111 17967 5630 1 15 . 1 1 43 43 GLU N N 41 119.910 119.910 119.056 0.854 17967 5631 1 15 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.534 -0.284 17967 5632 1 15 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.533 0.497 17967 5633 1 15 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.054 1.276 17967 5634 1 15 . 1 1 43 43 GLU H H 41 6.950 6.950 7.884 -0.934 17967 5635 1 15 . 1 1 44 44 VAL N N 42 125.010 125.010 120.119 4.891 17967 5636 1 15 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.606 -0.366 17967 5637 1 15 . 1 1 44 44 VAL CA C 42 67.630 67.630 65.589 2.041 17967 5638 1 15 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.878 0.452 17967 5639 1 15 . 1 1 44 44 VAL H H 42 7.820 7.820 8.171 -0.351 17967 5640 1 15 . 1 1 45 45 TYR N N 43 118.410 118.410 118.489 -0.079 17967 5641 1 15 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.156 0.274 17967 5642 1 15 . 1 1 45 45 TYR CA C 43 58.830 58.830 61.359 -2.529 17967 5643 1 15 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.444 -0.715 17967 5644 1 15 . 1 1 45 45 TYR H H 43 7.820 7.820 8.164 -0.344 17967 5645 1 15 . 1 1 46 46 ASP N N 44 122.410 122.410 119.786 2.624 17967 5646 1 15 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.346 0.254 17967 5647 1 15 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.839 -0.009 17967 5648 1 15 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.288 0.742 17967 5649 1 15 . 1 1 46 46 ASP H H 44 8.540 8.540 8.001 0.539 17967 5650 1 15 . 1 1 47 47 PHE N N 45 126.210 126.210 119.662 6.548 17967 5651 1 15 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.149 -0.239 17967 5652 1 15 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.836 0.794 17967 5653 1 15 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.107 0.223 17967 5654 1 15 . 1 1 47 47 PHE H H 45 8.320 8.320 7.810 0.510 17967 5655 1 15 . 1 1 48 48 ALA N N 46 119.110 119.110 119.643 -0.533 17967 5656 1 15 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.325 0.195 17967 5657 1 15 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.980 0.250 17967 5658 1 15 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.671 0.059 17967 5659 1 15 . 1 1 48 48 ALA H H 46 7.740 7.740 7.778 -0.038 17967 5660 1 15 . 1 1 49 49 ARG N N 47 124.010 124.010 118.290 5.720 17967 5661 1 15 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.283 -0.233 17967 5662 1 15 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.583 2.047 17967 5663 1 15 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.560 -0.130 17967 5664 1 15 . 1 1 49 49 ARG H H 47 8.500 8.500 8.462 0.038 17967 5665 1 15 . 1 1 50 50 ARG N N 48 119.110 119.110 117.313 1.797 17967 5666 1 15 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.539 -0.529 17967 5667 1 15 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.248 2.882 17967 5668 1 15 . 1 1 50 50 ARG CB C 48 31.130 31.130 32.071 -0.941 17967 5669 1 15 . 1 1 50 50 ARG H H 48 7.940 7.940 7.929 0.011 17967 5670 1 15 . 1 1 51 51 ASP N N 49 120.910 120.910 120.114 0.796 17967 5671 1 15 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.767 -0.347 17967 5672 1 15 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.861 0.669 17967 5673 1 15 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.769 -0.839 17967 5674 1 15 . 1 1 51 51 ASP H H 49 7.950 7.950 8.370 -0.420 17967 5675 1 15 . 1 1 52 52 LEU N N 50 118.410 118.410 122.528 -4.118 17967 5676 1 15 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.602 -0.452 17967 5677 1 15 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.354 0.876 17967 5678 1 15 . 1 1 52 52 LEU CB C 50 41.130 41.130 44.307 -3.177 17967 5679 1 15 . 1 1 52 52 LEU H H 50 6.640 6.640 7.450 -0.810 17967 5680 1 15 . 1 1 53 53 CYS N N 51 117.410 117.410 118.357 -0.947 17967 5681 1 15 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.613 -0.683 17967 5682 1 15 . 1 1 53 53 CYS CA C 51 58.930 58.930 55.603 3.327 17967 5683 1 15 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.305 -1.675 17967 5684 1 15 . 1 1 53 53 CYS H H 51 8.030 8.030 8.107 -0.077 17967 5685 1 15 . 1 1 54 54 ILE N N 52 125.110 125.110 123.138 1.972 17967 5686 1 15 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.345 -0.335 17967 5687 1 15 . 1 1 54 54 ILE CA C 52 59.630 59.630 62.055 -2.425 17967 5688 1 15 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.816 -1.486 17967 5689 1 15 . 1 1 54 54 ILE H H 52 8.500 8.500 8.762 -0.262 17967 5690 1 15 . 1 1 55 55 VAL N N 53 127.010 127.010 123.046 3.964 17967 5691 1 15 . 1 1 55 55 VAL HA H 53 4.370 4.370 5.115 -0.745 17967 5692 1 15 . 1 1 55 55 VAL CA C 53 60.630 60.630 59.679 0.951 17967 5693 1 15 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.528 1.702 17967 5694 1 15 . 1 1 55 55 VAL H H 53 8.130 8.130 8.221 -0.091 17967 5695 1 15 . 1 1 56 56 TYR N N 54 124.910 124.910 127.837 -2.927 17967 5696 1 15 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.343 0.057 17967 5697 1 15 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.623 -0.293 17967 5698 1 15 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.705 1.325 17967 5699 1 15 . 1 1 56 56 TYR H H 54 8.700 8.700 8.759 -0.059 17967 5700 1 15 . 1 1 57 57 ARG N N 55 123.810 123.810 125.636 -1.826 17967 5701 1 15 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.427 0.213 17967 5702 1 15 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.953 -0.523 17967 5703 1 15 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.110 2.720 17967 5704 1 15 . 1 1 57 57 ARG H H 55 8.870 8.870 8.476 0.394 17967 5705 1 15 . 1 1 58 58 ASP N N 56 129.110 129.110 125.788 3.322 17967 5706 1 15 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.421 -0.111 17967 5707 1 15 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.668 -0.838 17967 5708 1 15 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.465 -0.335 17967 5709 1 15 . 1 1 58 58 ASP H H 56 9.620 9.620 9.001 0.619 17967 5710 1 15 . 1 1 59 59 GLY N N 57 104.510 104.510 106.242 -1.732 17967 5711 1 15 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.498 0.132 17967 5712 1 15 . 1 1 59 59 GLY H H 57 8.720 8.720 8.594 0.126 17967 5713 1 15 . 1 1 60 60 ASN N N 58 122.210 122.210 118.252 3.958 17967 5714 1 15 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.205 0.195 17967 5715 1 15 . 1 1 60 60 ASN CA C 58 50.330 50.330 51.121 -0.791 17967 5716 1 15 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.281 -0.851 17967 5717 1 15 . 1 1 60 60 ASN H H 58 8.120 8.120 7.830 0.290 17967 5718 1 15 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.630 0.160 17967 5719 1 15 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.440 -0.410 17967 5720 1 15 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.222 2.308 17967 5721 1 15 . 1 1 62 62 TYR N N 60 119.810 119.810 122.152 -2.342 17967 5722 1 15 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.480 -0.120 17967 5723 1 15 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.478 1.752 17967 5724 1 15 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.511 0.919 17967 5725 1 15 . 1 1 62 62 TYR H H 60 8.590 8.590 7.648 0.942 17967 5726 1 15 . 1 1 63 63 ALA N N 61 123.810 123.810 121.738 2.072 17967 5727 1 15 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.215 0.205 17967 5728 1 15 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.319 0.011 17967 5729 1 15 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.612 -0.282 17967 5730 1 15 . 1 1 63 63 ALA H H 61 8.010 8.010 8.721 -0.711 17967 5731 1 15 . 1 1 64 64 VAL N N 62 120.510 120.510 118.309 2.201 17967 5732 1 15 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.243 1.257 17967 5733 1 15 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.278 -0.048 17967 5734 1 15 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.192 3.138 17967 5735 1 15 . 1 1 64 64 VAL H H 62 6.380 6.380 8.428 -2.048 17967 5736 1 15 . 1 1 65 65 CYS N N 63 130.310 130.310 125.291 5.019 17967 5737 1 15 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.377 0.183 17967 5738 1 15 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.266 0.164 17967 5739 1 15 . 1 1 65 65 CYS CB C 63 31.130 31.130 29.686 1.444 17967 5740 1 15 . 1 1 65 65 CYS H H 63 9.430 9.430 8.159 1.271 17967 5741 1 15 . 1 1 66 66 ASP N N 64 121.110 121.110 121.667 -0.557 17967 5742 1 15 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.269 0.141 17967 5743 1 15 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.271 -0.041 17967 5744 1 15 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.896 1.434 17967 5745 1 15 . 1 1 66 66 ASP H H 64 9.120 9.120 8.917 0.203 17967 5746 1 15 . 1 1 67 67 LYS N N 65 122.110 122.110 118.815 3.295 17967 5747 1 15 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.830 0.180 17967 5748 1 15 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.602 1.528 17967 5749 1 15 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.248 0.582 17967 5750 1 15 . 1 1 67 67 LYS H H 65 8.330 8.330 7.588 0.742 17967 5751 1 15 . 1 1 68 68 CYS N N 66 125.610 125.610 118.798 6.812 17967 5752 1 15 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.008 0.102 17967 5753 1 15 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.253 1.277 17967 5754 1 15 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.319 4.411 17967 5755 1 15 . 1 1 68 68 CYS H H 66 8.700 8.700 7.474 1.226 17967 5756 1 15 . 1 1 69 69 LEU N N 67 125.310 125.310 121.157 4.153 17967 5757 1 15 . 1 1 69 69 LEU HA H 67 4.000 4.000 3.912 0.088 17967 5758 1 15 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.416 0.114 17967 5759 1 15 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.824 0.306 17967 5760 1 15 . 1 1 69 69 LEU H H 67 8.470 8.470 8.798 -0.328 17967 5761 1 15 . 1 1 70 70 LYS N N 68 119.010 119.010 116.074 2.936 17967 5762 1 15 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.159 -0.179 17967 5763 1 15 . 1 1 70 70 LYS CA C 68 58.830 58.830 57.687 1.143 17967 5764 1 15 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.529 0.601 17967 5765 1 15 . 1 1 70 70 LYS H H 68 7.810 7.810 7.384 0.426 17967 5766 1 15 . 1 1 71 71 PHE N N 69 121.710 121.710 117.371 4.339 17967 5767 1 15 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.204 0.076 17967 5768 1 15 . 1 1 71 71 PHE CA C 69 59.930 59.930 59.243 0.687 17967 5769 1 15 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.649 0.781 17967 5770 1 15 . 1 1 71 71 PHE H H 69 7.810 7.810 7.168 0.642 17967 5771 1 15 . 1 1 72 72 TYR N N 70 120.110 120.110 115.708 4.402 17967 5772 1 15 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.827 -0.507 17967 5773 1 15 . 1 1 72 72 TYR CA C 70 60.330 60.330 56.955 3.375 17967 5774 1 15 . 1 1 72 72 TYR CB C 70 40.430 40.430 37.499 2.931 17967 5775 1 15 . 1 1 72 72 TYR H H 70 8.280 8.280 8.612 -0.332 17967 5776 1 15 . 1 1 73 73 SER N N 71 117.210 117.210 117.896 -0.686 17967 5777 1 15 . 1 1 73 73 SER HA H 71 4.320 4.320 4.141 0.179 17967 5778 1 15 . 1 1 73 73 SER CA C 71 60.130 60.130 61.800 -1.670 17967 5779 1 15 . 1 1 73 73 SER CB C 71 63.630 63.630 62.783 0.847 17967 5780 1 15 . 1 1 73 73 SER H H 71 7.870 7.870 8.185 -0.315 17967 5781 1 15 . 1 1 74 74 LYS N N 72 122.810 122.810 122.132 0.678 17967 5782 1 15 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.201 0.069 17967 5783 1 15 . 1 1 74 74 LYS CA C 72 56.930 56.930 58.095 -1.165 17967 5784 1 15 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.148 0.482 17967 5785 1 15 . 1 1 74 74 LYS H H 72 7.800 7.800 8.364 -0.564 17967 5786 1 15 . 1 1 75 75 ILE N N 73 121.610 121.610 117.636 3.974 17967 5787 1 15 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.001 0.109 17967 5788 1 15 . 1 1 75 75 ILE CA C 73 61.830 61.830 63.618 -1.788 17967 5789 1 15 . 1 1 75 75 ILE CB C 73 38.630 38.630 38.500 0.130 17967 5790 1 15 . 1 1 75 75 ILE H H 73 7.750 7.750 8.292 -0.542 17967 5791 1 15 . 1 1 76 76 SER N N 74 120.410 120.410 110.696 9.714 17967 5792 1 15 . 1 1 76 76 SER HA H 74 4.300 4.300 4.099 0.201 17967 5793 1 15 . 1 1 76 76 SER CA C 74 59.330 59.330 61.420 -2.090 17967 5794 1 15 . 1 1 76 76 SER CB C 74 63.830 63.830 62.049 1.781 17967 5795 1 15 . 1 1 76 76 SER H H 74 8.130 8.130 8.880 -0.750 17967 5796 1 15 . 1 1 77 77 GLU N N 75 123.810 123.810 120.787 3.023 17967 5797 1 15 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.794 -0.604 17967 5798 1 15 . 1 1 77 77 GLU CA C 75 57.330 57.330 55.038 2.292 17967 5799 1 15 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.500 -0.371 17967 5800 1 15 . 1 1 77 77 GLU H H 75 8.270 8.270 7.934 0.336 17967 5801 1 15 . 1 1 78 78 TYR N N 76 122.410 122.410 125.872 -3.462 17967 5802 1 15 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.548 -0.088 17967 5803 1 15 . 1 1 78 78 TYR CA C 76 58.130 58.130 58.307 -0.177 17967 5804 1 15 . 1 1 78 78 TYR CB C 76 38.630 38.630 39.819 -1.189 17967 5805 1 15 . 1 1 78 78 TYR H H 76 7.980 7.980 8.158 -0.178 17967 5806 1 15 . 1 1 79 79 ARG N N 77 124.710 124.710 128.364 -3.654 17967 5807 1 15 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.769 -0.569 17967 5808 1 15 . 1 1 79 79 ARG CA C 77 56.030 56.030 54.676 1.354 17967 5809 1 15 . 1 1 79 79 ARG CB C 77 31.030 31.030 28.483 2.547 17967 5810 1 15 . 1 1 79 79 ARG H H 77 7.880 7.880 8.105 -0.225 17967 5811 1 15 . 1 1 80 80 HIS N N 78 122.110 122.110 122.486 -0.376 17967 5812 1 15 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.437 0.073 17967 5813 1 15 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.804 0.526 17967 5814 1 15 . 1 1 80 80 HIS CB C 78 30.830 30.830 29.734 1.096 17967 5815 1 15 . 1 1 80 80 HIS H H 78 8.120 8.120 8.185 -0.065 17967 5816 1 15 . 1 1 81 81 TYR N N 79 123.610 123.610 119.376 4.234 17967 5817 1 15 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.156 0.434 17967 5818 1 15 . 1 1 81 81 TYR CA C 79 57.830 57.830 58.116 -0.286 17967 5819 1 15 . 1 1 81 81 TYR CB C 79 39.130 39.130 36.328 2.802 17967 5820 1 15 . 1 1 81 81 TYR H H 79 7.970 7.970 7.502 0.468 17967 5821 1 16 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.342 -0.052 17967 5822 1 16 . 1 1 2 2 ALA CA C 0 52.530 52.530 52.147 0.383 17967 5823 1 16 . 1 1 2 2 ALA CB C 0 19.730 19.730 20.597 -0.867 17967 5824 1 16 . 1 1 3 3 MET N N 1 122.210 122.210 122.575 -0.365 17967 5825 1 16 . 1 1 3 3 MET HA H 1 4.300 4.300 4.637 -0.337 17967 5826 1 16 . 1 1 3 3 MET CA C 1 56.030 56.030 54.160 1.870 17967 5827 1 16 . 1 1 3 3 MET CB C 1 33.430 33.430 33.859 -0.429 17967 5828 1 16 . 1 1 3 3 MET H H 1 8.370 8.370 8.193 0.177 17967 5829 1 16 . 1 1 4 4 PHE N N 2 122.310 122.310 125.096 -2.786 17967 5830 1 16 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.522 0.108 17967 5831 1 16 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.116 -0.786 17967 5832 1 16 . 1 1 4 4 PHE CB C 2 39.430 39.430 39.129 0.301 17967 5833 1 16 . 1 1 4 4 PHE H H 2 8.370 8.370 8.658 -0.288 17967 5834 1 16 . 1 1 5 5 GLN N N 3 123.510 123.510 125.527 -2.017 17967 5835 1 16 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.471 -0.291 17967 5836 1 16 . 1 1 5 5 GLN CA C 3 56.130 56.130 53.922 2.208 17967 5837 1 16 . 1 1 5 5 GLN CB C 3 29.930 29.930 32.245 -2.314 17967 5838 1 16 . 1 1 5 5 GLN H H 3 8.260 8.260 8.268 -0.008 17967 5839 1 16 . 1 1 6 6 ASP N N 4 125.010 125.010 124.580 0.430 17967 5840 1 16 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.613 0.177 17967 5841 1 16 . 1 1 6 6 ASP CA C 4 51.930 51.930 54.008 -2.078 17967 5842 1 16 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.441 0.289 17967 5843 1 16 . 1 1 6 6 ASP H H 4 8.420 8.420 8.599 -0.179 17967 5844 1 16 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.558 -0.438 17967 5845 1 16 . 1 1 7 7 PRO CA C 5 64.030 64.030 63.254 0.776 17967 5846 1 16 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.219 0.111 17967 5847 1 16 . 1 1 8 8 GLN N N 6 119.710 119.710 120.999 -1.289 17967 5848 1 16 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.394 -0.234 17967 5849 1 16 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.480 1.150 17967 5850 1 16 . 1 1 8 8 GLN CB C 6 29.330 29.330 26.969 2.361 17967 5851 1 16 . 1 1 8 8 GLN H H 6 8.430 8.430 7.585 0.845 17967 5852 1 16 . 1 1 9 9 GLU N N 7 122.110 122.110 122.181 -0.071 17967 5853 1 16 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.055 0.145 17967 5854 1 16 . 1 1 9 9 GLU CA C 7 56.030 56.030 56.659 -0.629 17967 5855 1 16 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.868 0.662 17967 5856 1 16 . 1 1 9 9 GLU H H 7 7.940 7.940 8.199 -0.259 17967 5857 1 16 . 1 1 10 10 ARG N N 8 123.410 123.410 114.777 8.633 17967 5858 1 16 . 1 1 10 10 ARG HA H 8 4.400 4.400 3.713 0.687 17967 5859 1 16 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.506 -1.376 17967 5860 1 16 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.937 1.393 17967 5861 1 16 . 1 1 10 10 ARG H H 8 7.660 7.660 8.148 -0.488 17967 5862 1 16 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.534 -0.184 17967 5863 1 16 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.257 1.273 17967 5864 1 16 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.854 -0.224 17967 5865 1 16 . 1 1 12 12 ARG N N 10 123.810 123.810 117.193 6.617 17967 5866 1 16 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.727 -0.057 17967 5867 1 16 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.554 1.276 17967 5868 1 16 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.369 1.161 17967 5869 1 16 . 1 1 12 12 ARG H H 10 8.710 8.710 8.792 -0.082 17967 5870 1 16 . 1 1 13 13 LYS N N 11 118.410 118.410 118.998 -0.588 17967 5871 1 16 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.722 0.328 17967 5872 1 16 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.389 -1.058 17967 5873 1 16 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.735 0.695 17967 5874 1 16 . 1 1 13 13 LYS H H 11 7.800 7.800 7.615 0.185 17967 5875 1 16 . 1 1 14 14 LEU N N 12 125.010 125.010 125.775 -0.765 17967 5876 1 16 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.179 -0.009 17967 5877 1 16 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.278 0.452 17967 5878 1 16 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.959 0.571 17967 5879 1 16 . 1 1 14 14 LEU H H 12 10.210 10.210 9.154 1.056 17967 5880 1 16 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.268 -0.048 17967 5881 1 16 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.493 1.737 17967 5882 1 16 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.120 -0.390 17967 5883 1 16 . 1 1 16 16 GLN N N 14 117.810 117.810 118.225 -0.415 17967 5884 1 16 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.130 0.060 17967 5885 1 16 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.942 0.088 17967 5886 1 16 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.350 0.280 17967 5887 1 16 . 1 1 16 16 GLN H H 14 7.110 7.110 8.340 -1.230 17967 5888 1 16 . 1 1 17 17 LEU N N 15 124.710 124.710 121.909 2.801 17967 5889 1 16 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.110 -0.100 17967 5890 1 16 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.843 0.487 17967 5891 1 16 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.709 0.320 17967 5892 1 16 . 1 1 17 17 LEU H H 15 8.010 8.010 8.287 -0.277 17967 5893 1 16 . 1 1 18 18 CYS N N 16 117.210 117.210 117.003 0.207 17967 5894 1 16 . 1 1 18 18 CYS HA H 16 3.750 3.750 4.036 -0.286 17967 5895 1 16 . 1 1 18 18 CYS CA C 16 64.730 64.730 64.053 0.677 17967 5896 1 16 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.097 0.133 17967 5897 1 16 . 1 1 18 18 CYS H H 16 8.380 8.380 8.540 -0.160 17967 5898 1 16 . 1 1 19 19 THR N N 17 117.810 117.810 115.161 2.649 17967 5899 1 16 . 1 1 19 19 THR HA H 17 4.000 4.000 4.045 -0.045 17967 5900 1 16 . 1 1 19 19 THR CA C 17 66.830 66.830 67.100 -0.270 17967 5901 1 16 . 1 1 19 19 THR CB C 17 68.830 68.830 68.508 0.322 17967 5902 1 16 . 1 1 19 19 THR H H 17 7.720 7.720 7.786 -0.066 17967 5903 1 16 . 1 1 20 20 GLU N N 18 125.410 125.410 120.634 4.776 17967 5904 1 16 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.250 -0.180 17967 5905 1 16 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.740 0.990 17967 5906 1 16 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.535 0.195 17967 5907 1 16 . 1 1 20 20 GLU H H 18 8.010 8.010 7.676 0.334 17967 5908 1 16 . 1 1 21 21 LEU N N 19 118.810 118.810 117.707 1.103 17967 5909 1 16 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.065 0.235 17967 5910 1 16 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.648 -0.818 17967 5911 1 16 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.955 0.375 17967 5912 1 16 . 1 1 21 21 LEU H H 19 8.010 8.010 8.075 -0.065 17967 5913 1 16 . 1 1 22 22 GLN N N 20 118.310 118.310 114.406 3.904 17967 5914 1 16 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.042 -0.092 17967 5915 1 16 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.042 -0.312 17967 5916 1 16 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.431 -0.301 17967 5917 1 16 . 1 1 22 22 GLN H H 20 7.860 7.860 7.739 0.121 17967 5918 1 16 . 1 1 23 23 THR N N 21 115.910 115.910 111.893 4.017 17967 5919 1 16 . 1 1 23 23 THR HA H 21 4.950 4.950 4.631 0.319 17967 5920 1 16 . 1 1 23 23 THR CA C 21 58.530 58.530 60.004 -1.474 17967 5921 1 16 . 1 1 23 23 THR CB C 21 70.330 70.330 70.653 -0.323 17967 5922 1 16 . 1 1 23 23 THR H H 21 8.250 8.250 8.240 0.010 17967 5923 1 16 . 1 1 24 24 THR N N 22 112.810 112.810 114.006 -1.196 17967 5924 1 16 . 1 1 24 24 THR HA H 22 4.880 4.880 4.650 0.230 17967 5925 1 16 . 1 1 24 24 THR CA C 22 59.730 59.730 60.319 -0.589 17967 5926 1 16 . 1 1 24 24 THR CB C 22 74.130 74.130 71.067 3.063 17967 5927 1 16 . 1 1 24 24 THR H H 22 8.660 8.660 7.889 0.771 17967 5928 1 16 . 1 1 25 25 ILE N N 23 123.710 123.710 120.214 3.496 17967 5929 1 16 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.742 0.038 17967 5930 1 16 . 1 1 25 25 ILE CA C 23 63.430 63.430 63.865 -0.436 17967 5931 1 16 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.989 0.641 17967 5932 1 16 . 1 1 25 25 ILE H H 23 9.060 9.060 8.169 0.891 17967 5933 1 16 . 1 1 26 26 HIS N N 24 119.510 119.510 113.816 5.694 17967 5934 1 16 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.742 -0.302 17967 5935 1 16 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.653 1.377 17967 5936 1 16 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.006 1.824 17967 5937 1 16 . 1 1 26 26 HIS H H 24 7.040 7.040 7.521 -0.481 17967 5938 1 16 . 1 1 27 27 ASP N N 25 116.810 116.810 118.317 -1.507 17967 5939 1 16 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.662 0.098 17967 5940 1 16 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.309 0.121 17967 5941 1 16 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.119 1.211 17967 5942 1 16 . 1 1 27 27 ASP H H 25 7.250 7.250 7.563 -0.313 17967 5943 1 16 . 1 1 28 28 ILE N N 26 123.210 123.210 122.472 0.738 17967 5944 1 16 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.927 0.003 17967 5945 1 16 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.347 0.683 17967 5946 1 16 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.736 -0.806 17967 5947 1 16 . 1 1 28 28 ILE H H 26 7.750 7.750 7.681 0.069 17967 5948 1 16 . 1 1 29 29 ILE N N 27 131.110 131.110 128.487 2.623 17967 5949 1 16 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.136 0.244 17967 5950 1 16 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.928 -1.098 17967 5951 1 16 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.509 1.121 17967 5952 1 16 . 1 1 29 29 ILE H H 27 8.270 8.270 8.324 -0.054 17967 5953 1 16 . 1 1 30 30 LEU N N 28 129.410 129.410 129.618 -0.208 17967 5954 1 16 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.696 -0.036 17967 5955 1 16 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.335 -0.805 17967 5956 1 16 . 1 1 30 30 LEU CB C 28 48.330 48.330 44.941 3.389 17967 5957 1 16 . 1 1 30 30 LEU H H 28 8.500 8.500 8.270 0.230 17967 5958 1 16 . 1 1 31 31 GLU N N 29 121.910 121.910 121.598 0.312 17967 5959 1 16 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.905 -0.225 17967 5960 1 16 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.462 0.468 17967 5961 1 16 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.420 0.610 17967 5962 1 16 . 1 1 31 31 GLU H H 29 8.860 8.860 8.126 0.734 17967 5963 1 16 . 1 1 32 32 CYS N N 30 125.710 125.710 120.107 5.603 17967 5964 1 16 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.969 -0.949 17967 5965 1 16 . 1 1 32 32 CYS CA C 30 58.230 58.230 58.510 -0.280 17967 5966 1 16 . 1 1 32 32 CYS CB C 30 31.730 31.730 27.080 4.650 17967 5967 1 16 . 1 1 32 32 CYS H H 30 8.270 8.270 8.589 -0.319 17967 5968 1 16 . 1 1 33 33 VAL N N 31 132.310 132.310 128.698 3.612 17967 5969 1 16 . 1 1 33 33 VAL HA H 31 3.100 3.100 2.157 0.943 17967 5970 1 16 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.580 -1.350 17967 5971 1 16 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.716 -0.086 17967 5972 1 16 . 1 1 33 33 VAL H H 31 8.860 8.860 7.933 0.927 17967 5973 1 16 . 1 1 34 34 TYR N N 32 124.310 124.310 116.310 8.000 17967 5974 1 16 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.466 -0.026 17967 5975 1 16 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.173 0.857 17967 5976 1 16 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.061 2.069 17967 5977 1 16 . 1 1 34 34 TYR H H 32 8.590 8.590 7.323 1.267 17967 5978 1 16 . 1 1 35 35 CYS N N 33 119.810 119.810 116.101 3.709 17967 5979 1 16 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.638 0.202 17967 5980 1 16 . 1 1 35 35 CYS CA C 33 59.430 59.430 59.439 -0.009 17967 5981 1 16 . 1 1 35 35 CYS CB C 33 32.230 32.230 29.061 3.168 17967 5982 1 16 . 1 1 35 35 CYS H H 33 8.070 8.070 7.629 0.441 17967 5983 1 16 . 1 1 36 36 LYS N N 34 119.910 119.910 114.705 5.205 17967 5984 1 16 . 1 1 36 36 LYS HA H 34 4.190 4.190 4.067 0.123 17967 5985 1 16 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.377 0.453 17967 5986 1 16 . 1 1 36 36 LYS CB C 34 29.330 29.330 30.029 -0.699 17967 5987 1 16 . 1 1 36 36 LYS H H 34 7.860 7.860 8.045 -0.185 17967 5988 1 16 . 1 1 37 37 GLN N N 35 120.710 120.710 117.521 3.189 17967 5989 1 16 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.415 -0.055 17967 5990 1 16 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.074 0.356 17967 5991 1 16 . 1 1 37 37 GLN CB C 35 29.630 29.630 29.563 0.067 17967 5992 1 16 . 1 1 37 37 GLN H H 35 8.270 8.270 7.967 0.303 17967 5993 1 16 . 1 1 38 38 GLN N N 36 123.710 123.710 122.024 1.686 17967 5994 1 16 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.197 0.103 17967 5995 1 16 . 1 1 38 38 GLN CA C 36 56.730 56.730 55.793 0.937 17967 5996 1 16 . 1 1 38 38 GLN CB C 36 29.330 29.330 29.066 0.264 17967 5997 1 16 . 1 1 38 38 GLN H H 36 8.640 8.640 8.529 0.111 17967 5998 1 16 . 1 1 39 39 LEU N N 37 131.310 131.310 125.622 5.688 17967 5999 1 16 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.111 -0.001 17967 6000 1 16 . 1 1 39 39 LEU CA C 37 57.330 57.330 56.115 1.215 17967 6001 1 16 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.332 -0.402 17967 6002 1 16 . 1 1 39 39 LEU H H 37 8.870 8.870 8.049 0.821 17967 6003 1 16 . 1 1 40 40 LEU N N 38 126.310 126.310 125.126 1.184 17967 6004 1 16 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.303 0.007 17967 6005 1 16 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.669 -0.438 17967 6006 1 16 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.072 0.058 17967 6007 1 16 . 1 1 40 40 LEU H H 38 9.850 9.850 8.267 1.583 17967 6008 1 16 . 1 1 41 41 ARG N N 39 127.110 127.110 125.492 1.618 17967 6009 1 16 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.704 -0.184 17967 6010 1 16 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.673 -1.843 17967 6011 1 16 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.661 -2.731 17967 6012 1 16 . 1 1 41 41 ARG H H 39 8.970 8.970 8.881 0.089 17967 6013 1 16 . 1 1 42 42 ARG N N 40 115.810 115.810 117.201 -1.391 17967 6014 1 16 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.257 -0.177 17967 6015 1 16 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.011 0.119 17967 6016 1 16 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.176 0.154 17967 6017 1 16 . 1 1 42 42 ARG H H 40 8.610 8.610 8.516 0.094 17967 6018 1 16 . 1 1 43 43 GLU N N 41 119.910 119.910 118.354 1.556 17967 6019 1 16 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.572 -0.322 17967 6020 1 16 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.022 1.008 17967 6021 1 16 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.135 1.195 17967 6022 1 16 . 1 1 43 43 GLU H H 41 6.950 6.950 8.068 -1.118 17967 6023 1 16 . 1 1 44 44 VAL N N 42 125.010 125.010 120.339 4.671 17967 6024 1 16 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.622 -0.382 17967 6025 1 16 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.171 1.459 17967 6026 1 16 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.174 0.156 17967 6027 1 16 . 1 1 44 44 VAL H H 42 7.820 7.820 7.783 0.037 17967 6028 1 16 . 1 1 45 45 TYR N N 43 118.410 118.410 118.937 -0.527 17967 6029 1 16 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.172 0.258 17967 6030 1 16 . 1 1 45 45 TYR CA C 43 58.830 58.830 60.796 -1.966 17967 6031 1 16 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.240 -0.510 17967 6032 1 16 . 1 1 45 45 TYR H H 43 7.820 7.820 8.072 -0.252 17967 6033 1 16 . 1 1 46 46 ASP N N 44 122.410 122.410 119.685 2.725 17967 6034 1 16 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.367 0.233 17967 6035 1 16 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.594 0.236 17967 6036 1 16 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.170 0.860 17967 6037 1 16 . 1 1 46 46 ASP H H 44 8.540 8.540 7.930 0.610 17967 6038 1 16 . 1 1 47 47 PHE N N 45 126.210 126.210 119.229 6.981 17967 6039 1 16 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.079 -0.169 17967 6040 1 16 . 1 1 47 47 PHE CA C 45 62.630 62.630 62.001 0.629 17967 6041 1 16 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.042 0.288 17967 6042 1 16 . 1 1 47 47 PHE H H 45 8.320 8.320 7.526 0.794 17967 6043 1 16 . 1 1 48 48 ALA N N 46 119.110 119.110 119.509 -0.399 17967 6044 1 16 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.348 0.172 17967 6045 1 16 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.713 0.517 17967 6046 1 16 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.827 -0.097 17967 6047 1 16 . 1 1 48 48 ALA H H 46 7.740 7.740 7.747 -0.007 17967 6048 1 16 . 1 1 49 49 ARG N N 47 124.010 124.010 117.534 6.476 17967 6049 1 16 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.320 -0.270 17967 6050 1 16 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.021 2.609 17967 6051 1 16 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.377 0.053 17967 6052 1 16 . 1 1 49 49 ARG H H 47 8.500 8.500 8.187 0.313 17967 6053 1 16 . 1 1 50 50 ARG N N 48 119.110 119.110 118.723 0.387 17967 6054 1 16 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.534 -0.524 17967 6055 1 16 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.669 2.461 17967 6056 1 16 . 1 1 50 50 ARG CB C 48 31.130 31.130 31.986 -0.856 17967 6057 1 16 . 1 1 50 50 ARG H H 48 7.940 7.940 7.749 0.191 17967 6058 1 16 . 1 1 51 51 ASP N N 49 120.910 120.910 120.763 0.147 17967 6059 1 16 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.766 -0.346 17967 6060 1 16 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.224 0.306 17967 6061 1 16 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.304 -0.374 17967 6062 1 16 . 1 1 51 51 ASP H H 49 7.950 7.950 8.548 -0.598 17967 6063 1 16 . 1 1 52 52 LEU N N 50 118.410 118.410 121.191 -2.781 17967 6064 1 16 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.737 -0.587 17967 6065 1 16 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.121 1.109 17967 6066 1 16 . 1 1 52 52 LEU CB C 50 41.130 41.130 45.111 -3.981 17967 6067 1 16 . 1 1 52 52 LEU H H 50 6.640 6.640 7.475 -0.835 17967 6068 1 16 . 1 1 53 53 CYS N N 51 117.410 117.410 117.392 0.018 17967 6069 1 16 . 1 1 53 53 CYS HA H 51 4.930 4.930 4.840 0.090 17967 6070 1 16 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.251 2.679 17967 6071 1 16 . 1 1 53 53 CYS CB C 51 28.630 28.630 31.067 -2.437 17967 6072 1 16 . 1 1 53 53 CYS H H 51 8.030 8.030 8.256 -0.226 17967 6073 1 16 . 1 1 54 54 ILE N N 52 125.110 125.110 122.388 2.722 17967 6074 1 16 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.420 -0.410 17967 6075 1 16 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.855 -2.225 17967 6076 1 16 . 1 1 54 54 ILE CB C 52 37.330 37.330 39.265 -1.935 17967 6077 1 16 . 1 1 54 54 ILE H H 52 8.500 8.500 8.927 -0.427 17967 6078 1 16 . 1 1 55 55 VAL N N 53 127.010 127.010 121.297 5.713 17967 6079 1 16 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.617 -0.247 17967 6080 1 16 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.119 0.511 17967 6081 1 16 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.620 1.609 17967 6082 1 16 . 1 1 55 55 VAL H H 53 8.130 8.130 8.113 0.017 17967 6083 1 16 . 1 1 56 56 TYR N N 54 124.910 124.910 126.376 -1.466 17967 6084 1 16 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.274 0.126 17967 6085 1 16 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.777 -0.447 17967 6086 1 16 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.491 1.539 17967 6087 1 16 . 1 1 56 56 TYR H H 54 8.700 8.700 8.694 0.006 17967 6088 1 16 . 1 1 57 57 ARG N N 55 123.810 123.810 124.959 -1.149 17967 6089 1 16 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.333 0.307 17967 6090 1 16 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.552 -0.122 17967 6091 1 16 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.515 3.315 17967 6092 1 16 . 1 1 57 57 ARG H H 55 8.870 8.870 8.455 0.415 17967 6093 1 16 . 1 1 58 58 ASP N N 56 129.110 129.110 124.299 4.811 17967 6094 1 16 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.267 0.043 17967 6095 1 16 . 1 1 58 58 ASP CA C 56 55.830 55.830 57.264 -1.435 17967 6096 1 16 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.057 0.073 17967 6097 1 16 . 1 1 58 58 ASP H H 56 9.620 9.620 8.763 0.857 17967 6098 1 16 . 1 1 59 59 GLY N N 57 104.510 104.510 105.431 -0.921 17967 6099 1 16 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.161 0.469 17967 6100 1 16 . 1 1 59 59 GLY H H 57 8.720 8.720 8.303 0.417 17967 6101 1 16 . 1 1 60 60 ASN N N 58 122.210 122.210 119.873 2.337 17967 6102 1 16 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.269 0.131 17967 6103 1 16 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.839 -0.509 17967 6104 1 16 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.037 -0.607 17967 6105 1 16 . 1 1 60 60 ASN H H 58 8.120 8.120 8.038 0.082 17967 6106 1 16 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.547 0.243 17967 6107 1 16 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.660 -0.630 17967 6108 1 16 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.297 2.233 17967 6109 1 16 . 1 1 62 62 TYR N N 60 119.810 119.810 122.649 -2.839 17967 6110 1 16 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.524 -0.164 17967 6111 1 16 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.599 1.631 17967 6112 1 16 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.713 0.717 17967 6113 1 16 . 1 1 62 62 TYR H H 60 8.590 8.590 7.649 0.941 17967 6114 1 16 . 1 1 63 63 ALA N N 61 123.810 123.810 121.898 1.912 17967 6115 1 16 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.066 0.354 17967 6116 1 16 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.466 -0.136 17967 6117 1 16 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.294 0.036 17967 6118 1 16 . 1 1 63 63 ALA H H 61 8.010 8.010 8.769 -0.759 17967 6119 1 16 . 1 1 64 64 VAL N N 62 120.510 120.510 117.101 3.409 17967 6120 1 16 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.313 1.187 17967 6121 1 16 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.276 -0.046 17967 6122 1 16 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.837 2.493 17967 6123 1 16 . 1 1 64 64 VAL H H 62 6.380 6.380 8.326 -1.946 17967 6124 1 16 . 1 1 65 65 CYS N N 63 130.310 130.310 125.821 4.489 17967 6125 1 16 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.421 0.139 17967 6126 1 16 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.668 -0.238 17967 6127 1 16 . 1 1 65 65 CYS CB C 63 31.130 31.130 28.836 2.294 17967 6128 1 16 . 1 1 65 65 CYS H H 63 9.430 9.430 8.182 1.248 17967 6129 1 16 . 1 1 66 66 ASP N N 64 121.110 121.110 120.708 0.402 17967 6130 1 16 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.218 0.192 17967 6131 1 16 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.226 0.004 17967 6132 1 16 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.949 1.381 17967 6133 1 16 . 1 1 66 66 ASP H H 64 9.120 9.120 8.789 0.331 17967 6134 1 16 . 1 1 67 67 LYS N N 65 122.110 122.110 118.749 3.361 17967 6135 1 16 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.834 0.176 17967 6136 1 16 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.499 1.631 17967 6137 1 16 . 1 1 67 67 LYS CB C 65 32.830 32.830 31.841 0.989 17967 6138 1 16 . 1 1 67 67 LYS H H 65 8.330 8.330 7.814 0.516 17967 6139 1 16 . 1 1 68 68 CYS N N 66 125.610 125.610 118.619 6.991 17967 6140 1 16 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.384 -0.274 17967 6141 1 16 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.471 1.059 17967 6142 1 16 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.756 3.974 17967 6143 1 16 . 1 1 68 68 CYS H H 66 8.700 8.700 7.487 1.213 17967 6144 1 16 . 1 1 69 69 LEU N N 67 125.310 125.310 120.507 4.803 17967 6145 1 16 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.143 -0.143 17967 6146 1 16 . 1 1 69 69 LEU CA C 67 58.530 58.530 57.609 0.921 17967 6147 1 16 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.463 0.667 17967 6148 1 16 . 1 1 69 69 LEU H H 67 8.470 8.470 8.656 -0.186 17967 6149 1 16 . 1 1 70 70 LYS N N 68 119.010 119.010 118.561 0.449 17967 6150 1 16 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.053 -0.073 17967 6151 1 16 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.237 0.593 17967 6152 1 16 . 1 1 70 70 LYS CB C 68 32.130 32.130 32.441 -0.310 17967 6153 1 16 . 1 1 70 70 LYS H H 68 7.810 7.810 7.326 0.484 17967 6154 1 16 . 1 1 71 71 PHE N N 69 121.710 121.710 117.577 4.133 17967 6155 1 16 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.134 0.146 17967 6156 1 16 . 1 1 71 71 PHE CA C 69 59.930 59.930 58.539 1.391 17967 6157 1 16 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.714 0.716 17967 6158 1 16 . 1 1 71 71 PHE H H 69 7.810 7.810 7.100 0.710 17967 6159 1 16 . 1 1 72 72 TYR N N 70 120.110 120.110 119.168 0.942 17967 6160 1 16 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.706 -0.386 17967 6161 1 16 . 1 1 72 72 TYR CA C 70 60.330 60.330 57.528 2.802 17967 6162 1 16 . 1 1 72 72 TYR CB C 70 40.430 40.430 36.395 4.035 17967 6163 1 16 . 1 1 72 72 TYR H H 70 8.280 8.280 8.742 -0.462 17967 6164 1 16 . 1 1 73 73 SER N N 71 117.210 117.210 118.086 -0.876 17967 6165 1 16 . 1 1 73 73 SER HA H 71 4.320 4.320 4.634 -0.314 17967 6166 1 16 . 1 1 73 73 SER CA C 71 60.130 60.130 59.175 0.955 17967 6167 1 16 . 1 1 73 73 SER CB C 71 63.630 63.630 63.931 -0.301 17967 6168 1 16 . 1 1 73 73 SER H H 71 7.870 7.870 8.301 -0.431 17967 6169 1 16 . 1 1 74 74 LYS N N 72 122.810 122.810 122.412 0.398 17967 6170 1 16 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.255 0.015 17967 6171 1 16 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.659 -0.729 17967 6172 1 16 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.389 0.241 17967 6173 1 16 . 1 1 74 74 LYS H H 72 7.800 7.800 8.163 -0.363 17967 6174 1 16 . 1 1 75 75 ILE N N 73 121.610 121.610 117.697 3.913 17967 6175 1 16 . 1 1 75 75 ILE HA H 73 4.110 4.110 3.861 0.249 17967 6176 1 16 . 1 1 75 75 ILE CA C 73 61.830 61.830 63.005 -1.175 17967 6177 1 16 . 1 1 75 75 ILE CB C 73 38.630 38.630 38.367 0.263 17967 6178 1 16 . 1 1 75 75 ILE H H 73 7.750 7.750 8.296 -0.546 17967 6179 1 16 . 1 1 76 76 SER N N 74 120.410 120.410 116.151 4.259 17967 6180 1 16 . 1 1 76 76 SER HA H 74 4.300 4.300 4.317 -0.017 17967 6181 1 16 . 1 1 76 76 SER CA C 74 59.330 59.330 59.598 -0.268 17967 6182 1 16 . 1 1 76 76 SER CB C 74 63.830 63.830 63.071 0.759 17967 6183 1 16 . 1 1 76 76 SER H H 74 8.130 8.130 7.926 0.204 17967 6184 1 16 . 1 1 77 77 GLU N N 75 123.810 123.810 122.030 1.780 17967 6185 1 16 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.105 0.085 17967 6186 1 16 . 1 1 77 77 GLU CA C 75 57.330 57.330 57.148 0.182 17967 6187 1 16 . 1 1 77 77 GLU CB C 75 30.130 30.130 27.641 2.489 17967 6188 1 16 . 1 1 77 77 GLU H H 75 8.270 8.270 8.881 -0.611 17967 6189 1 16 . 1 1 78 78 TYR N N 76 122.410 122.410 122.169 0.241 17967 6190 1 16 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.578 -0.118 17967 6191 1 16 . 1 1 78 78 TYR CA C 76 58.130 58.130 57.330 0.801 17967 6192 1 16 . 1 1 78 78 TYR CB C 76 38.630 38.630 38.587 0.043 17967 6193 1 16 . 1 1 78 78 TYR H H 76 7.980 7.980 7.898 0.082 17967 6194 1 16 . 1 1 79 79 ARG N N 77 124.710 124.710 126.360 -1.650 17967 6195 1 16 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.553 -0.353 17967 6196 1 16 . 1 1 79 79 ARG CA C 77 56.030 56.030 56.313 -0.283 17967 6197 1 16 . 1 1 79 79 ARG CB C 77 31.030 31.030 30.638 0.392 17967 6198 1 16 . 1 1 79 79 ARG H H 77 7.880 7.880 9.085 -1.205 17967 6199 1 16 . 1 1 80 80 HIS N N 78 122.110 122.110 118.868 3.242 17967 6200 1 16 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.523 -0.013 17967 6201 1 16 . 1 1 80 80 HIS CA C 78 56.330 56.330 56.129 0.201 17967 6202 1 16 . 1 1 80 80 HIS CB C 78 30.830 30.830 29.880 0.950 17967 6203 1 16 . 1 1 80 80 HIS H H 78 8.120 8.120 8.124 -0.004 17967 6204 1 16 . 1 1 81 81 TYR N N 79 123.610 123.610 116.596 7.014 17967 6205 1 16 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.285 0.305 17967 6206 1 16 . 1 1 81 81 TYR CA C 79 57.830 57.830 58.127 -0.297 17967 6207 1 16 . 1 1 81 81 TYR CB C 79 39.130 39.130 37.549 1.581 17967 6208 1 16 . 1 1 81 81 TYR H H 79 7.970 7.970 7.745 0.225 17967 6209 1 17 . 1 1 2 2 ALA HA H 0 4.290 4.290 3.729 0.561 17967 6210 1 17 . 1 1 2 2 ALA CA C 0 52.530 52.530 53.191 -0.661 17967 6211 1 17 . 1 1 2 2 ALA CB C 0 19.730 19.730 18.048 1.682 17967 6212 1 17 . 1 1 3 3 MET N N 1 122.210 122.210 120.273 1.937 17967 6213 1 17 . 1 1 3 3 MET HA H 1 4.300 4.300 4.540 -0.240 17967 6214 1 17 . 1 1 3 3 MET CA C 1 56.030 56.030 54.894 1.136 17967 6215 1 17 . 1 1 3 3 MET CB C 1 33.430 33.430 32.415 1.015 17967 6216 1 17 . 1 1 3 3 MET H H 1 8.370 8.370 7.473 0.897 17967 6217 1 17 . 1 1 4 4 PHE N N 2 122.310 122.310 124.813 -2.503 17967 6218 1 17 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.691 -0.061 17967 6219 1 17 . 1 1 4 4 PHE CA C 2 57.330 57.330 55.553 1.777 17967 6220 1 17 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.567 -1.137 17967 6221 1 17 . 1 1 4 4 PHE H H 2 8.370 8.370 8.199 0.171 17967 6222 1 17 . 1 1 5 5 GLN N N 3 123.510 123.510 118.668 4.842 17967 6223 1 17 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.569 -0.389 17967 6224 1 17 . 1 1 5 5 GLN CA C 3 56.130 56.130 54.224 1.906 17967 6225 1 17 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.301 -0.371 17967 6226 1 17 . 1 1 5 5 GLN H H 3 8.260 8.260 8.324 -0.064 17967 6227 1 17 . 1 1 6 6 ASP N N 4 125.010 125.010 118.272 6.738 17967 6228 1 17 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.801 -0.011 17967 6229 1 17 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.807 0.123 17967 6230 1 17 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.664 1.066 17967 6231 1 17 . 1 1 6 6 ASP H H 4 8.420 8.420 8.438 -0.018 17967 6232 1 17 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.392 -0.272 17967 6233 1 17 . 1 1 7 7 PRO CA C 5 64.030 64.030 64.084 -0.054 17967 6234 1 17 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.254 0.076 17967 6235 1 17 . 1 1 8 8 GLN N N 6 119.710 119.710 117.219 2.491 17967 6236 1 17 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.389 -0.229 17967 6237 1 17 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.195 1.435 17967 6238 1 17 . 1 1 8 8 GLN CB C 6 29.330 29.330 29.288 0.042 17967 6239 1 17 . 1 1 8 8 GLN H H 6 8.430 8.430 7.830 0.600 17967 6240 1 17 . 1 1 9 9 GLU N N 7 122.110 122.110 120.810 1.300 17967 6241 1 17 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.184 0.016 17967 6242 1 17 . 1 1 9 9 GLU CA C 7 56.030 56.030 57.289 -1.259 17967 6243 1 17 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.224 0.306 17967 6244 1 17 . 1 1 9 9 GLU H H 7 7.940 7.940 8.545 -0.605 17967 6245 1 17 . 1 1 10 10 ARG N N 8 123.410 123.410 119.381 4.029 17967 6246 1 17 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.789 -0.389 17967 6247 1 17 . 1 1 10 10 ARG CA C 8 54.130 54.130 54.226 -0.096 17967 6248 1 17 . 1 1 10 10 ARG CB C 8 29.330 29.330 29.649 -0.319 17967 6249 1 17 . 1 1 10 10 ARG H H 8 7.660 7.660 7.952 -0.292 17967 6250 1 17 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.626 -0.276 17967 6251 1 17 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.386 1.143 17967 6252 1 17 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.191 -0.561 17967 6253 1 17 . 1 1 12 12 ARG N N 10 123.810 123.810 117.162 6.648 17967 6254 1 17 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.773 -0.103 17967 6255 1 17 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.931 0.899 17967 6256 1 17 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.784 0.746 17967 6257 1 17 . 1 1 12 12 ARG H H 10 8.710 8.710 8.789 -0.079 17967 6258 1 17 . 1 1 13 13 LYS N N 11 118.410 118.410 119.802 -1.392 17967 6259 1 17 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.728 0.322 17967 6260 1 17 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.660 -1.330 17967 6261 1 17 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.198 1.232 17967 6262 1 17 . 1 1 13 13 LYS H H 11 7.800 7.800 7.712 0.088 17967 6263 1 17 . 1 1 14 14 LEU N N 12 125.010 125.010 127.151 -2.141 17967 6264 1 17 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.240 -0.070 17967 6265 1 17 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.564 0.166 17967 6266 1 17 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.791 0.739 17967 6267 1 17 . 1 1 14 14 LEU H H 12 10.210 10.210 9.189 1.021 17967 6268 1 17 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.278 -0.058 17967 6269 1 17 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.648 1.581 17967 6270 1 17 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.077 -0.347 17967 6271 1 17 . 1 1 16 16 GLN N N 14 117.810 117.810 116.969 0.841 17967 6272 1 17 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.168 0.022 17967 6273 1 17 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.596 0.434 17967 6274 1 17 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.302 0.328 17967 6275 1 17 . 1 1 16 16 GLN H H 14 7.110 7.110 8.363 -1.253 17967 6276 1 17 . 1 1 17 17 LEU N N 15 124.710 124.710 122.591 2.119 17967 6277 1 17 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.232 -0.222 17967 6278 1 17 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.867 0.463 17967 6279 1 17 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.914 0.116 17967 6280 1 17 . 1 1 17 17 LEU H H 15 8.010 8.010 7.980 0.030 17967 6281 1 17 . 1 1 18 18 CYS N N 16 117.210 117.210 116.814 0.396 17967 6282 1 17 . 1 1 18 18 CYS HA H 16 3.750 3.750 3.990 -0.240 17967 6283 1 17 . 1 1 18 18 CYS CA C 16 64.730 64.730 64.035 0.695 17967 6284 1 17 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.148 0.082 17967 6285 1 17 . 1 1 18 18 CYS H H 16 8.380 8.380 8.509 -0.129 17967 6286 1 17 . 1 1 19 19 THR N N 17 117.810 117.810 115.707 2.103 17967 6287 1 17 . 1 1 19 19 THR HA H 17 4.000 4.000 4.059 -0.059 17967 6288 1 17 . 1 1 19 19 THR CA C 17 66.830 66.830 66.903 -0.073 17967 6289 1 17 . 1 1 19 19 THR CB C 17 68.830 68.830 68.545 0.285 17967 6290 1 17 . 1 1 19 19 THR H H 17 7.720 7.720 7.693 0.027 17967 6291 1 17 . 1 1 20 20 GLU N N 18 125.410 125.410 121.027 4.383 17967 6292 1 17 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.121 -0.051 17967 6293 1 17 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.879 0.851 17967 6294 1 17 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.653 0.077 17967 6295 1 17 . 1 1 20 20 GLU H H 18 8.010 8.010 7.649 0.361 17967 6296 1 17 . 1 1 21 21 LEU N N 19 118.810 118.810 116.685 2.125 17967 6297 1 17 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.364 -0.064 17967 6298 1 17 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.294 -0.464 17967 6299 1 17 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.756 0.574 17967 6300 1 17 . 1 1 21 21 LEU H H 19 8.010 8.010 7.900 0.110 17967 6301 1 17 . 1 1 22 22 GLN N N 20 118.310 118.310 113.706 4.604 17967 6302 1 17 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.071 -0.121 17967 6303 1 17 . 1 1 22 22 GLN CA C 20 56.730 56.730 56.978 -0.248 17967 6304 1 17 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.432 -0.302 17967 6305 1 17 . 1 1 22 22 GLN H H 20 7.860 7.860 7.614 0.246 17967 6306 1 17 . 1 1 23 23 THR N N 21 115.910 115.910 112.201 3.709 17967 6307 1 17 . 1 1 23 23 THR HA H 21 4.950 4.950 4.541 0.409 17967 6308 1 17 . 1 1 23 23 THR CA C 21 58.530 58.530 60.117 -1.587 17967 6309 1 17 . 1 1 23 23 THR CB C 21 70.330 70.330 71.240 -0.910 17967 6310 1 17 . 1 1 23 23 THR H H 21 8.250 8.250 8.181 0.069 17967 6311 1 17 . 1 1 24 24 THR N N 22 112.810 112.810 114.242 -1.432 17967 6312 1 17 . 1 1 24 24 THR HA H 22 4.880 4.880 4.595 0.285 17967 6313 1 17 . 1 1 24 24 THR CA C 22 59.730 59.730 60.227 -0.497 17967 6314 1 17 . 1 1 24 24 THR CB C 22 74.130 74.130 71.338 2.792 17967 6315 1 17 . 1 1 24 24 THR H H 22 8.660 8.660 7.783 0.877 17967 6316 1 17 . 1 1 25 25 ILE N N 23 123.710 123.710 120.096 3.614 17967 6317 1 17 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.692 0.088 17967 6318 1 17 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.031 -0.601 17967 6319 1 17 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.891 0.739 17967 6320 1 17 . 1 1 25 25 ILE H H 23 9.060 9.060 8.113 0.947 17967 6321 1 17 . 1 1 26 26 HIS N N 24 119.510 119.510 112.782 6.728 17967 6322 1 17 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.769 -0.329 17967 6323 1 17 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.129 1.901 17967 6324 1 17 . 1 1 26 26 HIS CB C 24 30.830 30.830 28.924 1.906 17967 6325 1 17 . 1 1 26 26 HIS H H 24 7.040 7.040 7.375 -0.335 17967 6326 1 17 . 1 1 27 27 ASP N N 25 116.810 116.810 117.856 -1.046 17967 6327 1 17 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.658 0.102 17967 6328 1 17 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.238 0.192 17967 6329 1 17 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.431 0.899 17967 6330 1 17 . 1 1 27 27 ASP H H 25 7.250 7.250 7.541 -0.291 17967 6331 1 17 . 1 1 28 28 ILE N N 26 123.210 123.210 121.436 1.774 17967 6332 1 17 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.826 0.104 17967 6333 1 17 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.952 0.078 17967 6334 1 17 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.656 -0.726 17967 6335 1 17 . 1 1 28 28 ILE H H 26 7.750 7.750 7.890 -0.140 17967 6336 1 17 . 1 1 29 29 ILE N N 27 131.110 131.110 128.739 2.371 17967 6337 1 17 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.115 0.265 17967 6338 1 17 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.788 -0.957 17967 6339 1 17 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.513 1.117 17967 6340 1 17 . 1 1 29 29 ILE H H 27 8.270 8.270 8.339 -0.069 17967 6341 1 17 . 1 1 30 30 LEU N N 28 129.410 129.410 128.742 0.668 17967 6342 1 17 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.635 0.025 17967 6343 1 17 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.302 -0.772 17967 6344 1 17 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.538 2.792 17967 6345 1 17 . 1 1 30 30 LEU H H 28 8.500 8.500 8.366 0.134 17967 6346 1 17 . 1 1 31 31 GLU N N 29 121.910 121.910 121.148 0.762 17967 6347 1 17 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.776 -0.096 17967 6348 1 17 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.382 0.548 17967 6349 1 17 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.253 0.777 17967 6350 1 17 . 1 1 31 31 GLU H H 29 8.860 8.860 8.285 0.575 17967 6351 1 17 . 1 1 32 32 CYS N N 30 125.710 125.710 120.295 5.415 17967 6352 1 17 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.849 -0.829 17967 6353 1 17 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.379 -1.149 17967 6354 1 17 . 1 1 32 32 CYS CB C 30 31.730 31.730 27.021 4.709 17967 6355 1 17 . 1 1 32 32 CYS H H 30 8.270 8.270 8.479 -0.209 17967 6356 1 17 . 1 1 33 33 VAL N N 31 132.310 132.310 128.092 4.218 17967 6357 1 17 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.123 -0.023 17967 6358 1 17 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.367 -1.137 17967 6359 1 17 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.924 -0.294 17967 6360 1 17 . 1 1 33 33 VAL H H 31 8.860 8.860 8.024 0.836 17967 6361 1 17 . 1 1 34 34 TYR N N 32 124.310 124.310 113.584 10.726 17967 6362 1 17 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.551 -0.111 17967 6363 1 17 . 1 1 34 34 TYR CA C 32 61.030 61.030 58.769 2.261 17967 6364 1 17 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.895 1.235 17967 6365 1 17 . 1 1 34 34 TYR H H 32 8.590 8.590 7.153 1.437 17967 6366 1 17 . 1 1 35 35 CYS N N 33 119.810 119.810 115.693 4.117 17967 6367 1 17 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.595 0.245 17967 6368 1 17 . 1 1 35 35 CYS CA C 33 59.430 59.430 58.599 0.831 17967 6369 1 17 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.260 3.970 17967 6370 1 17 . 1 1 35 35 CYS H H 33 8.070 8.070 7.647 0.423 17967 6371 1 17 . 1 1 36 36 LYS N N 34 119.910 119.910 116.379 3.531 17967 6372 1 17 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.903 0.287 17967 6373 1 17 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.613 1.217 17967 6374 1 17 . 1 1 36 36 LYS CB C 34 29.330 29.330 30.112 -0.782 17967 6375 1 17 . 1 1 36 36 LYS H H 34 7.860 7.860 7.867 -0.007 17967 6376 1 17 . 1 1 37 37 GLN N N 35 120.710 120.710 117.694 3.016 17967 6377 1 17 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.429 -0.069 17967 6378 1 17 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.043 1.387 17967 6379 1 17 . 1 1 37 37 GLN CB C 35 29.630 29.630 29.925 -0.295 17967 6380 1 17 . 1 1 37 37 GLN H H 35 8.270 8.270 7.774 0.496 17967 6381 1 17 . 1 1 38 38 GLN N N 36 123.710 123.710 127.218 -3.508 17967 6382 1 17 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.119 0.181 17967 6383 1 17 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.843 -0.113 17967 6384 1 17 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.822 0.508 17967 6385 1 17 . 1 1 38 38 GLN H H 36 8.640 8.640 8.702 -0.062 17967 6386 1 17 . 1 1 39 39 LEU N N 37 131.310 131.310 127.633 3.677 17967 6387 1 17 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.152 -0.042 17967 6388 1 17 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.863 1.467 17967 6389 1 17 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.335 -0.405 17967 6390 1 17 . 1 1 39 39 LEU H H 37 8.870 8.870 7.891 0.979 17967 6391 1 17 . 1 1 40 40 LEU N N 38 126.310 126.310 124.596 1.714 17967 6392 1 17 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.316 -0.006 17967 6393 1 17 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.635 -0.404 17967 6394 1 17 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.105 0.025 17967 6395 1 17 . 1 1 40 40 LEU H H 38 9.850 9.850 8.250 1.600 17967 6396 1 17 . 1 1 41 41 ARG N N 39 127.110 127.110 125.453 1.657 17967 6397 1 17 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.776 -0.256 17967 6398 1 17 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.455 -1.625 17967 6399 1 17 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.875 -2.945 17967 6400 1 17 . 1 1 41 41 ARG H H 39 8.970 8.970 8.919 0.051 17967 6401 1 17 . 1 1 42 42 ARG N N 40 115.810 115.810 117.362 -1.552 17967 6402 1 17 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.316 -0.236 17967 6403 1 17 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.705 -0.575 17967 6404 1 17 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.718 -0.388 17967 6405 1 17 . 1 1 42 42 ARG H H 40 8.610 8.610 8.485 0.125 17967 6406 1 17 . 1 1 43 43 GLU N N 41 119.910 119.910 119.487 0.423 17967 6407 1 17 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.386 -0.136 17967 6408 1 17 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.756 0.274 17967 6409 1 17 . 1 1 43 43 GLU CB C 41 30.330 30.330 28.726 1.604 17967 6410 1 17 . 1 1 43 43 GLU H H 41 6.950 6.950 7.888 -0.938 17967 6411 1 17 . 1 1 44 44 VAL N N 42 125.010 125.010 119.774 5.236 17967 6412 1 17 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.627 -0.387 17967 6413 1 17 . 1 1 44 44 VAL CA C 42 67.630 67.630 65.439 2.191 17967 6414 1 17 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.953 0.377 17967 6415 1 17 . 1 1 44 44 VAL H H 42 7.820 7.820 7.860 -0.040 17967 6416 1 17 . 1 1 45 45 TYR N N 43 118.410 118.410 118.804 -0.394 17967 6417 1 17 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.160 0.270 17967 6418 1 17 . 1 1 45 45 TYR CA C 43 58.830 58.830 61.278 -2.448 17967 6419 1 17 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.454 -0.724 17967 6420 1 17 . 1 1 45 45 TYR H H 43 7.820 7.820 7.831 -0.011 17967 6421 1 17 . 1 1 46 46 ASP N N 44 122.410 122.410 120.261 2.149 17967 6422 1 17 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.309 0.291 17967 6423 1 17 . 1 1 46 46 ASP CA C 44 57.830 57.830 58.188 -0.358 17967 6424 1 17 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.501 0.529 17967 6425 1 17 . 1 1 46 46 ASP H H 44 8.540 8.540 8.046 0.494 17967 6426 1 17 . 1 1 47 47 PHE N N 45 126.210 126.210 119.385 6.825 17967 6427 1 17 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.100 -0.190 17967 6428 1 17 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.853 0.777 17967 6429 1 17 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.094 0.236 17967 6430 1 17 . 1 1 47 47 PHE H H 45 8.320 8.320 7.753 0.567 17967 6431 1 17 . 1 1 48 48 ALA N N 46 119.110 119.110 118.816 0.294 17967 6432 1 17 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.339 0.181 17967 6433 1 17 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.550 0.680 17967 6434 1 17 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.823 -0.093 17967 6435 1 17 . 1 1 48 48 ALA H H 46 7.740 7.740 7.714 0.026 17967 6436 1 17 . 1 1 49 49 ARG N N 47 124.010 124.010 117.587 6.423 17967 6437 1 17 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.297 -0.247 17967 6438 1 17 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.187 2.443 17967 6439 1 17 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.336 0.094 17967 6440 1 17 . 1 1 49 49 ARG H H 47 8.500 8.500 8.264 0.236 17967 6441 1 17 . 1 1 50 50 ARG N N 48 119.110 119.110 118.879 0.231 17967 6442 1 17 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.512 -0.502 17967 6443 1 17 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.466 1.664 17967 6444 1 17 . 1 1 50 50 ARG CB C 48 31.130 31.130 31.565 -0.435 17967 6445 1 17 . 1 1 50 50 ARG H H 48 7.940 7.940 8.038 -0.098 17967 6446 1 17 . 1 1 51 51 ASP N N 49 120.910 120.910 117.436 3.474 17967 6447 1 17 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.657 -0.237 17967 6448 1 17 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.173 1.357 17967 6449 1 17 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.877 -0.947 17967 6450 1 17 . 1 1 51 51 ASP H H 49 7.950 7.950 8.302 -0.352 17967 6451 1 17 . 1 1 52 52 LEU N N 50 118.410 118.410 121.093 -2.683 17967 6452 1 17 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.273 -0.123 17967 6453 1 17 . 1 1 52 52 LEU CA C 50 54.230 54.230 55.663 -1.433 17967 6454 1 17 . 1 1 52 52 LEU CB C 50 41.130 41.130 41.966 -0.836 17967 6455 1 17 . 1 1 52 52 LEU H H 50 6.640 6.640 7.265 -0.625 17967 6456 1 17 . 1 1 53 53 CYS N N 51 117.410 117.410 117.314 0.096 17967 6457 1 17 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.123 -0.193 17967 6458 1 17 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.025 2.905 17967 6459 1 17 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.469 -1.839 17967 6460 1 17 . 1 1 53 53 CYS H H 51 8.030 8.030 7.835 0.195 17967 6461 1 17 . 1 1 54 54 ILE N N 52 125.110 125.110 121.823 3.287 17967 6462 1 17 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.386 -0.376 17967 6463 1 17 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.744 -2.114 17967 6464 1 17 . 1 1 54 54 ILE CB C 52 37.330 37.330 39.282 -1.952 17967 6465 1 17 . 1 1 54 54 ILE H H 52 8.500 8.500 8.924 -0.424 17967 6466 1 17 . 1 1 55 55 VAL N N 53 127.010 127.010 121.150 5.860 17967 6467 1 17 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.673 -0.303 17967 6468 1 17 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.682 -0.052 17967 6469 1 17 . 1 1 55 55 VAL CB C 53 34.230 34.230 33.151 1.079 17967 6470 1 17 . 1 1 55 55 VAL H H 53 8.130 8.130 8.069 0.061 17967 6471 1 17 . 1 1 56 56 TYR N N 54 124.910 124.910 126.184 -1.274 17967 6472 1 17 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.331 0.069 17967 6473 1 17 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.539 -0.209 17967 6474 1 17 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.371 1.659 17967 6475 1 17 . 1 1 56 56 TYR H H 54 8.700 8.700 8.733 -0.033 17967 6476 1 17 . 1 1 57 57 ARG N N 55 123.810 123.810 125.628 -1.818 17967 6477 1 17 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.421 0.219 17967 6478 1 17 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.799 -0.369 17967 6479 1 17 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.773 2.057 17967 6480 1 17 . 1 1 57 57 ARG H H 55 8.870 8.870 8.383 0.487 17967 6481 1 17 . 1 1 58 58 ASP N N 56 129.110 129.110 125.011 4.099 17967 6482 1 17 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.316 -0.006 17967 6483 1 17 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.546 -0.716 17967 6484 1 17 . 1 1 58 58 ASP CB C 56 40.130 40.130 39.975 0.155 17967 6485 1 17 . 1 1 58 58 ASP H H 56 9.620 9.620 9.140 0.480 17967 6486 1 17 . 1 1 59 59 GLY N N 57 104.510 104.510 107.370 -2.860 17967 6487 1 17 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.149 0.481 17967 6488 1 17 . 1 1 59 59 GLY H H 57 8.720 8.720 8.343 0.377 17967 6489 1 17 . 1 1 60 60 ASN N N 58 122.210 122.210 119.747 2.463 17967 6490 1 17 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.345 0.055 17967 6491 1 17 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.647 -0.317 17967 6492 1 17 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.514 -0.084 17967 6493 1 17 . 1 1 60 60 ASN H H 58 8.120 8.120 8.197 -0.077 17967 6494 1 17 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.723 0.067 17967 6495 1 17 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.423 -0.393 17967 6496 1 17 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.344 2.186 17967 6497 1 17 . 1 1 62 62 TYR N N 60 119.810 119.810 122.619 -2.809 17967 6498 1 17 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.521 -0.161 17967 6499 1 17 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.426 1.804 17967 6500 1 17 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.508 0.922 17967 6501 1 17 . 1 1 62 62 TYR H H 60 8.590 8.590 7.680 0.910 17967 6502 1 17 . 1 1 63 63 ALA N N 61 123.810 123.810 121.612 2.198 17967 6503 1 17 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.148 0.272 17967 6504 1 17 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.282 0.048 17967 6505 1 17 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.653 -0.323 17967 6506 1 17 . 1 1 63 63 ALA H H 61 8.010 8.010 8.813 -0.803 17967 6507 1 17 . 1 1 64 64 VAL N N 62 120.510 120.510 117.748 2.762 17967 6508 1 17 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.313 1.187 17967 6509 1 17 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.361 -0.131 17967 6510 1 17 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.422 2.908 17967 6511 1 17 . 1 1 64 64 VAL H H 62 6.380 6.380 8.354 -1.974 17967 6512 1 17 . 1 1 65 65 CYS N N 63 130.310 130.310 125.997 4.313 17967 6513 1 17 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.397 0.163 17967 6514 1 17 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.636 -0.206 17967 6515 1 17 . 1 1 65 65 CYS CB C 63 31.130 31.130 28.940 2.190 17967 6516 1 17 . 1 1 65 65 CYS H H 63 9.430 9.430 8.298 1.132 17967 6517 1 17 . 1 1 66 66 ASP N N 64 121.110 121.110 121.130 -0.020 17967 6518 1 17 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.227 0.183 17967 6519 1 17 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.510 -0.279 17967 6520 1 17 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.760 1.570 17967 6521 1 17 . 1 1 66 66 ASP H H 64 9.120 9.120 8.765 0.355 17967 6522 1 17 . 1 1 67 67 LYS N N 65 122.110 122.110 119.292 2.818 17967 6523 1 17 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.810 0.200 17967 6524 1 17 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.778 1.353 17967 6525 1 17 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.190 0.640 17967 6526 1 17 . 1 1 67 67 LYS H H 65 8.330 8.330 7.787 0.543 17967 6527 1 17 . 1 1 68 68 CYS N N 66 125.610 125.610 118.932 6.678 17967 6528 1 17 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.360 -0.250 17967 6529 1 17 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.657 0.873 17967 6530 1 17 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.376 4.354 17967 6531 1 17 . 1 1 68 68 CYS H H 66 8.700 8.700 7.547 1.153 17967 6532 1 17 . 1 1 69 69 LEU N N 67 125.310 125.310 122.610 2.700 17967 6533 1 17 . 1 1 69 69 LEU HA H 67 4.000 4.000 3.970 0.030 17967 6534 1 17 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.769 -0.239 17967 6535 1 17 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.953 0.177 17967 6536 1 17 . 1 1 69 69 LEU H H 67 8.470 8.470 9.011 -0.541 17967 6537 1 17 . 1 1 70 70 LYS N N 68 119.010 119.010 119.844 -0.834 17967 6538 1 17 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.070 -0.090 17967 6539 1 17 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.874 -0.044 17967 6540 1 17 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.828 0.301 17967 6541 1 17 . 1 1 70 70 LYS H H 68 7.810 7.810 7.805 0.005 17967 6542 1 17 . 1 1 71 71 PHE N N 69 121.710 121.710 118.795 2.915 17967 6543 1 17 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.197 0.083 17967 6544 1 17 . 1 1 71 71 PHE CA C 69 59.930 59.930 59.614 0.316 17967 6545 1 17 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.610 0.820 17967 6546 1 17 . 1 1 71 71 PHE H H 69 7.810 7.810 7.447 0.363 17967 6547 1 17 . 1 1 72 72 TYR N N 70 120.110 120.110 116.230 3.880 17967 6548 1 17 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.669 -0.349 17967 6549 1 17 . 1 1 72 72 TYR CA C 70 60.330 60.330 57.752 2.578 17967 6550 1 17 . 1 1 72 72 TYR CB C 70 40.430 40.430 36.533 3.897 17967 6551 1 17 . 1 1 72 72 TYR H H 70 8.280 8.280 8.932 -0.652 17967 6552 1 17 . 1 1 73 73 SER N N 71 117.210 117.210 116.400 0.810 17967 6553 1 17 . 1 1 73 73 SER HA H 71 4.320 4.320 4.249 0.071 17967 6554 1 17 . 1 1 73 73 SER CA C 71 60.130 60.130 61.111 -0.981 17967 6555 1 17 . 1 1 73 73 SER CB C 71 63.630 63.630 63.060 0.570 17967 6556 1 17 . 1 1 73 73 SER H H 71 7.870 7.870 8.110 -0.240 17967 6557 1 17 . 1 1 74 74 LYS N N 72 122.810 122.810 121.898 0.912 17967 6558 1 17 . 1 1 74 74 LYS HA H 72 4.270 4.270 3.983 0.287 17967 6559 1 17 . 1 1 74 74 LYS CA C 72 56.930 56.930 58.313 -1.383 17967 6560 1 17 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.179 0.451 17967 6561 1 17 . 1 1 74 74 LYS H H 72 7.800 7.800 7.984 -0.184 17967 6562 1 17 . 1 1 75 75 ILE N N 73 121.610 121.610 116.584 5.026 17967 6563 1 17 . 1 1 75 75 ILE HA H 73 4.110 4.110 3.829 0.281 17967 6564 1 17 . 1 1 75 75 ILE CA C 73 61.830 61.830 63.811 -1.981 17967 6565 1 17 . 1 1 75 75 ILE CB C 73 38.630 38.630 38.458 0.173 17967 6566 1 17 . 1 1 75 75 ILE H H 73 7.750 7.750 7.451 0.299 17967 6567 1 17 . 1 1 76 76 SER N N 74 120.410 120.410 111.374 9.036 17967 6568 1 17 . 1 1 76 76 SER HA H 74 4.300 4.300 3.935 0.365 17967 6569 1 17 . 1 1 76 76 SER CA C 74 59.330 59.330 61.611 -2.281 17967 6570 1 17 . 1 1 76 76 SER CB C 74 63.830 63.830 62.597 1.233 17967 6571 1 17 . 1 1 76 76 SER H H 74 8.130 8.130 8.140 -0.010 17967 6572 1 17 . 1 1 77 77 GLU N N 75 123.810 123.810 121.942 1.868 17967 6573 1 17 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.669 -0.479 17967 6574 1 17 . 1 1 77 77 GLU CA C 75 57.330 57.330 54.973 2.357 17967 6575 1 17 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.880 -0.750 17967 6576 1 17 . 1 1 77 77 GLU H H 75 8.270 8.270 7.893 0.377 17967 6577 1 17 . 1 1 78 78 TYR N N 76 122.410 122.410 124.922 -2.512 17967 6578 1 17 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.811 -0.351 17967 6579 1 17 . 1 1 78 78 TYR CA C 76 58.130 58.130 57.422 0.708 17967 6580 1 17 . 1 1 78 78 TYR CB C 76 38.630 38.630 40.084 -1.454 17967 6581 1 17 . 1 1 78 78 TYR H H 76 7.980 7.980 8.588 -0.608 17967 6582 1 17 . 1 1 79 79 ARG N N 77 124.710 124.710 126.346 -1.636 17967 6583 1 17 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.490 -0.290 17967 6584 1 17 . 1 1 79 79 ARG CA C 77 56.030 56.030 56.250 -0.220 17967 6585 1 17 . 1 1 79 79 ARG CB C 77 31.030 31.030 30.223 0.807 17967 6586 1 17 . 1 1 79 79 ARG H H 77 7.880 7.880 9.059 -1.179 17967 6587 1 17 . 1 1 80 80 HIS N N 78 122.110 122.110 113.258 8.852 17967 6588 1 17 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.387 0.123 17967 6589 1 17 . 1 1 80 80 HIS CA C 78 56.330 56.330 56.381 -0.051 17967 6590 1 17 . 1 1 80 80 HIS CB C 78 30.830 30.830 27.305 3.525 17967 6591 1 17 . 1 1 80 80 HIS H H 78 8.120 8.120 8.304 -0.184 17967 6592 1 17 . 1 1 81 81 TYR N N 79 123.610 123.610 121.926 1.684 17967 6593 1 17 . 1 1 81 81 TYR HA H 79 4.590 4.590 5.090 -0.500 17967 6594 1 17 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.787 0.043 17967 6595 1 17 . 1 1 81 81 TYR CB C 79 39.130 39.130 39.657 -0.527 17967 6596 1 17 . 1 1 81 81 TYR H H 79 7.970 7.970 9.200 -1.230 17967 6597 1 18 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.494 -0.204 17967 6598 1 18 . 1 1 2 2 ALA CA C 0 52.530 52.530 52.033 0.497 17967 6599 1 18 . 1 1 2 2 ALA CB C 0 19.730 19.730 19.228 0.502 17967 6600 1 18 . 1 1 3 3 MET N N 1 122.210 122.210 120.293 1.917 17967 6601 1 18 . 1 1 3 3 MET HA H 1 4.300 4.300 4.336 -0.036 17967 6602 1 18 . 1 1 3 3 MET CA C 1 56.030 56.030 56.135 -0.105 17967 6603 1 18 . 1 1 3 3 MET CB C 1 33.430 33.430 33.156 0.274 17967 6604 1 18 . 1 1 3 3 MET H H 1 8.370 8.370 8.467 -0.097 17967 6605 1 18 . 1 1 4 4 PHE N N 2 122.310 122.310 121.110 1.200 17967 6606 1 18 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.701 -0.071 17967 6607 1 18 . 1 1 4 4 PHE CA C 2 57.330 57.330 56.736 0.594 17967 6608 1 18 . 1 1 4 4 PHE CB C 2 39.430 39.430 38.231 1.199 17967 6609 1 18 . 1 1 4 4 PHE H H 2 8.370 8.370 8.835 -0.465 17967 6610 1 18 . 1 1 5 5 GLN N N 3 123.510 123.510 121.566 1.944 17967 6611 1 18 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.674 -0.494 17967 6612 1 18 . 1 1 5 5 GLN CA C 3 56.130 56.130 53.569 2.561 17967 6613 1 18 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.986 -1.056 17967 6614 1 18 . 1 1 5 5 GLN H H 3 8.260 8.260 7.583 0.677 17967 6615 1 18 . 1 1 6 6 ASP N N 4 125.010 125.010 118.830 6.180 17967 6616 1 18 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.700 0.090 17967 6617 1 18 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.020 0.910 17967 6618 1 18 . 1 1 6 6 ASP CB C 4 41.730 41.730 42.136 -0.406 17967 6619 1 18 . 1 1 6 6 ASP H H 4 8.420 8.420 8.459 -0.039 17967 6620 1 18 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.324 -0.204 17967 6621 1 18 . 1 1 7 7 PRO CA C 5 64.030 64.030 64.292 -0.262 17967 6622 1 18 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.047 0.283 17967 6623 1 18 . 1 1 8 8 GLN N N 6 119.710 119.710 119.205 0.505 17967 6624 1 18 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.253 -0.093 17967 6625 1 18 . 1 1 8 8 GLN CA C 6 56.630 56.630 54.413 2.217 17967 6626 1 18 . 1 1 8 8 GLN CB C 6 29.330 29.330 25.608 3.722 17967 6627 1 18 . 1 1 8 8 GLN H H 6 8.430 8.430 8.563 -0.133 17967 6628 1 18 . 1 1 9 9 GLU N N 7 122.110 122.110 122.013 0.097 17967 6629 1 18 . 1 1 9 9 GLU HA H 7 4.200 4.200 3.779 0.421 17967 6630 1 18 . 1 1 9 9 GLU CA C 7 56.030 56.030 57.073 -1.043 17967 6631 1 18 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.530 1.000 17967 6632 1 18 . 1 1 9 9 GLU H H 7 7.940 7.940 8.018 -0.078 17967 6633 1 18 . 1 1 10 10 ARG N N 8 123.410 123.410 125.917 -2.507 17967 6634 1 18 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.124 0.276 17967 6635 1 18 . 1 1 10 10 ARG CA C 8 54.130 54.130 54.411 -0.281 17967 6636 1 18 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.619 0.711 17967 6637 1 18 . 1 1 10 10 ARG H H 8 7.660 7.660 7.694 -0.035 17967 6638 1 18 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.519 -0.169 17967 6639 1 18 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.495 1.035 17967 6640 1 18 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.491 0.139 17967 6641 1 18 . 1 1 12 12 ARG N N 10 123.810 123.810 120.597 3.213 17967 6642 1 18 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.530 0.140 17967 6643 1 18 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.929 -0.099 17967 6644 1 18 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.554 1.976 17967 6645 1 18 . 1 1 12 12 ARG H H 10 8.710 8.710 8.785 -0.075 17967 6646 1 18 . 1 1 13 13 LYS N N 11 118.410 118.410 119.612 -1.202 17967 6647 1 18 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.728 0.322 17967 6648 1 18 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.700 -1.370 17967 6649 1 18 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.020 1.410 17967 6650 1 18 . 1 1 13 13 LYS H H 11 7.800 7.800 8.051 -0.251 17967 6651 1 18 . 1 1 14 14 LEU N N 12 125.010 125.010 127.663 -2.653 17967 6652 1 18 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.198 -0.028 17967 6653 1 18 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.650 0.080 17967 6654 1 18 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.809 0.722 17967 6655 1 18 . 1 1 14 14 LEU H H 12 10.210 10.210 9.251 0.959 17967 6656 1 18 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.243 -0.023 17967 6657 1 18 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.708 1.522 17967 6658 1 18 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.046 -0.316 17967 6659 1 18 . 1 1 16 16 GLN N N 14 117.810 117.810 117.568 0.242 17967 6660 1 18 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.148 0.042 17967 6661 1 18 . 1 1 16 16 GLN CA C 14 59.030 59.030 59.136 -0.106 17967 6662 1 18 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.287 0.343 17967 6663 1 18 . 1 1 16 16 GLN H H 14 7.110 7.110 8.341 -1.231 17967 6664 1 18 . 1 1 17 17 LEU N N 15 124.710 124.710 122.538 2.172 17967 6665 1 18 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.169 -0.159 17967 6666 1 18 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.991 0.339 17967 6667 1 18 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.729 0.301 17967 6668 1 18 . 1 1 17 17 LEU H H 15 8.010 8.010 8.275 -0.265 17967 6669 1 18 . 1 1 18 18 CYS N N 16 117.210 117.210 117.183 0.027 17967 6670 1 18 . 1 1 18 18 CYS HA H 16 3.750 3.750 3.958 -0.208 17967 6671 1 18 . 1 1 18 18 CYS CA C 16 64.730 64.730 64.018 0.712 17967 6672 1 18 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.027 0.203 17967 6673 1 18 . 1 1 18 18 CYS H H 16 8.380 8.380 8.736 -0.356 17967 6674 1 18 . 1 1 19 19 THR N N 17 117.810 117.810 116.182 1.628 17967 6675 1 18 . 1 1 19 19 THR HA H 17 4.000 4.000 4.018 -0.018 17967 6676 1 18 . 1 1 19 19 THR CA C 17 66.830 66.830 66.958 -0.128 17967 6677 1 18 . 1 1 19 19 THR CB C 17 68.830 68.830 68.467 0.363 17967 6678 1 18 . 1 1 19 19 THR H H 17 7.720 7.720 7.777 -0.057 17967 6679 1 18 . 1 1 20 20 GLU N N 18 125.410 125.410 121.037 4.373 17967 6680 1 18 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.160 -0.090 17967 6681 1 18 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.825 0.905 17967 6682 1 18 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.438 0.292 17967 6683 1 18 . 1 1 20 20 GLU H H 18 8.010 8.010 7.589 0.421 17967 6684 1 18 . 1 1 21 21 LEU N N 19 118.810 118.810 118.487 0.323 17967 6685 1 18 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.357 -0.057 17967 6686 1 18 . 1 1 21 21 LEU CA C 19 54.830 54.830 56.048 -1.218 17967 6687 1 18 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.871 0.459 17967 6688 1 18 . 1 1 21 21 LEU H H 19 8.010 8.010 8.141 -0.131 17967 6689 1 18 . 1 1 22 22 GLN N N 20 118.310 118.310 113.824 4.486 17967 6690 1 18 . 1 1 22 22 GLN HA H 20 3.950 3.950 3.995 -0.045 17967 6691 1 18 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.148 -0.417 17967 6692 1 18 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.440 -0.310 17967 6693 1 18 . 1 1 22 22 GLN H H 20 7.860 7.860 7.697 0.163 17967 6694 1 18 . 1 1 23 23 THR N N 21 115.910 115.910 111.775 4.135 17967 6695 1 18 . 1 1 23 23 THR HA H 21 4.950 4.950 4.613 0.337 17967 6696 1 18 . 1 1 23 23 THR CA C 21 58.530 58.530 59.488 -0.958 17967 6697 1 18 . 1 1 23 23 THR CB C 21 70.330 70.330 70.189 0.141 17967 6698 1 18 . 1 1 23 23 THR H H 21 8.250 8.250 8.078 0.172 17967 6699 1 18 . 1 1 24 24 THR N N 22 112.810 112.810 113.644 -0.834 17967 6700 1 18 . 1 1 24 24 THR HA H 22 4.880 4.880 4.553 0.327 17967 6701 1 18 . 1 1 24 24 THR CA C 22 59.730 59.730 60.432 -0.702 17967 6702 1 18 . 1 1 24 24 THR CB C 22 74.130 74.130 71.107 3.023 17967 6703 1 18 . 1 1 24 24 THR H H 22 8.660 8.660 7.853 0.807 17967 6704 1 18 . 1 1 25 25 ILE N N 23 123.710 123.710 120.091 3.619 17967 6705 1 18 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.694 0.086 17967 6706 1 18 . 1 1 25 25 ILE CA C 23 63.430 63.430 63.618 -0.188 17967 6707 1 18 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.844 0.786 17967 6708 1 18 . 1 1 25 25 ILE H H 23 9.060 9.060 8.133 0.927 17967 6709 1 18 . 1 1 26 26 HIS N N 24 119.510 119.510 113.700 5.810 17967 6710 1 18 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.742 -0.302 17967 6711 1 18 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.633 1.397 17967 6712 1 18 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.162 1.668 17967 6713 1 18 . 1 1 26 26 HIS H H 24 7.040 7.040 7.459 -0.419 17967 6714 1 18 . 1 1 27 27 ASP N N 25 116.810 116.810 118.275 -1.465 17967 6715 1 18 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.626 0.134 17967 6716 1 18 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.283 0.147 17967 6717 1 18 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.074 1.256 17967 6718 1 18 . 1 1 27 27 ASP H H 25 7.250 7.250 7.502 -0.252 17967 6719 1 18 . 1 1 28 28 ILE N N 26 123.210 123.210 121.951 1.259 17967 6720 1 18 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.831 0.099 17967 6721 1 18 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.568 0.462 17967 6722 1 18 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.719 -0.789 17967 6723 1 18 . 1 1 28 28 ILE H H 26 7.750 7.750 7.868 -0.118 17967 6724 1 18 . 1 1 29 29 ILE N N 27 131.110 131.110 129.574 1.536 17967 6725 1 18 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.076 0.304 17967 6726 1 18 . 1 1 29 29 ILE CA C 27 58.830 58.830 60.063 -1.233 17967 6727 1 18 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.997 0.633 17967 6728 1 18 . 1 1 29 29 ILE H H 27 8.270 8.270 8.258 0.012 17967 6729 1 18 . 1 1 30 30 LEU N N 28 129.410 129.410 130.479 -1.069 17967 6730 1 18 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.592 0.068 17967 6731 1 18 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.257 -0.727 17967 6732 1 18 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.002 2.328 17967 6733 1 18 . 1 1 30 30 LEU H H 28 8.500 8.500 8.475 0.025 17967 6734 1 18 . 1 1 31 31 GLU N N 29 121.910 121.910 120.262 1.648 17967 6735 1 18 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.940 -0.260 17967 6736 1 18 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.230 0.701 17967 6737 1 18 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.667 0.363 17967 6738 1 18 . 1 1 31 31 GLU H H 29 8.860 8.860 8.207 0.653 17967 6739 1 18 . 1 1 32 32 CYS N N 30 125.710 125.710 118.609 7.101 17967 6740 1 18 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.754 -0.734 17967 6741 1 18 . 1 1 32 32 CYS CA C 30 58.230 58.230 60.697 -2.467 17967 6742 1 18 . 1 1 32 32 CYS CB C 30 31.730 31.730 26.442 5.288 17967 6743 1 18 . 1 1 32 32 CYS H H 30 8.270 8.270 8.640 -0.370 17967 6744 1 18 . 1 1 33 33 VAL N N 31 132.310 132.310 124.552 7.758 17967 6745 1 18 . 1 1 33 33 VAL HA H 31 3.100 3.100 2.865 0.235 17967 6746 1 18 . 1 1 33 33 VAL CA C 31 64.230 64.230 64.907 -0.677 17967 6747 1 18 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.756 -0.126 17967 6748 1 18 . 1 1 33 33 VAL H H 31 8.860 8.860 7.591 1.269 17967 6749 1 18 . 1 1 34 34 TYR N N 32 124.310 124.310 116.546 7.764 17967 6750 1 18 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.463 -0.023 17967 6751 1 18 . 1 1 34 34 TYR CA C 32 61.030 61.030 58.828 2.202 17967 6752 1 18 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.702 1.428 17967 6753 1 18 . 1 1 34 34 TYR H H 32 8.590 8.590 7.329 1.261 17967 6754 1 18 . 1 1 35 35 CYS N N 33 119.810 119.810 115.035 4.775 17967 6755 1 18 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.696 0.144 17967 6756 1 18 . 1 1 35 35 CYS CA C 33 59.430 59.430 59.446 -0.015 17967 6757 1 18 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.393 3.837 17967 6758 1 18 . 1 1 35 35 CYS H H 33 8.070 8.070 8.378 -0.308 17967 6759 1 18 . 1 1 36 36 LYS N N 34 119.910 119.910 116.053 3.857 17967 6760 1 18 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.910 0.280 17967 6761 1 18 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.923 0.907 17967 6762 1 18 . 1 1 36 36 LYS CB C 34 29.330 29.330 29.746 -0.416 17967 6763 1 18 . 1 1 36 36 LYS H H 34 7.860 7.860 7.712 0.148 17967 6764 1 18 . 1 1 37 37 GLN N N 35 120.710 120.710 117.707 3.003 17967 6765 1 18 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.475 -0.115 17967 6766 1 18 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.110 1.320 17967 6767 1 18 . 1 1 37 37 GLN CB C 35 29.630 29.630 29.509 0.120 17967 6768 1 18 . 1 1 37 37 GLN H H 35 8.270 8.270 7.959 0.311 17967 6769 1 18 . 1 1 38 38 GLN N N 36 123.710 123.710 127.412 -3.702 17967 6770 1 18 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.244 0.057 17967 6771 1 18 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.246 0.484 17967 6772 1 18 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.383 0.947 17967 6773 1 18 . 1 1 38 38 GLN H H 36 8.640 8.640 8.673 -0.033 17967 6774 1 18 . 1 1 39 39 LEU N N 37 131.310 131.310 125.959 5.351 17967 6775 1 18 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.057 0.053 17967 6776 1 18 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.787 1.543 17967 6777 1 18 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.342 -0.412 17967 6778 1 18 . 1 1 39 39 LEU H H 37 8.870 8.870 7.723 1.147 17967 6779 1 18 . 1 1 40 40 LEU N N 38 126.310 126.310 124.940 1.370 17967 6780 1 18 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.255 0.055 17967 6781 1 18 . 1 1 40 40 LEU CA C 38 54.230 54.230 55.139 -0.909 17967 6782 1 18 . 1 1 40 40 LEU CB C 38 43.130 43.130 42.939 0.191 17967 6783 1 18 . 1 1 40 40 LEU H H 38 9.850 9.850 8.548 1.302 17967 6784 1 18 . 1 1 41 41 ARG N N 39 127.110 127.110 125.605 1.505 17967 6785 1 18 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.783 -0.263 17967 6786 1 18 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.717 -1.887 17967 6787 1 18 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.786 -2.856 17967 6788 1 18 . 1 1 41 41 ARG H H 39 8.970 8.970 8.895 0.075 17967 6789 1 18 . 1 1 42 42 ARG N N 40 115.810 115.810 117.537 -1.727 17967 6790 1 18 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.364 -0.284 17967 6791 1 18 . 1 1 42 42 ARG CA C 40 59.130 59.130 58.905 0.225 17967 6792 1 18 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.067 0.263 17967 6793 1 18 . 1 1 42 42 ARG H H 40 8.610 8.610 8.594 0.016 17967 6794 1 18 . 1 1 43 43 GLU N N 41 119.910 119.910 119.505 0.405 17967 6795 1 18 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.517 -0.267 17967 6796 1 18 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.553 0.477 17967 6797 1 18 . 1 1 43 43 GLU CB C 41 30.330 30.330 28.965 1.365 17967 6798 1 18 . 1 1 43 43 GLU H H 41 6.950 6.950 7.846 -0.896 17967 6799 1 18 . 1 1 44 44 VAL N N 42 125.010 125.010 120.220 4.790 17967 6800 1 18 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.608 -0.368 17967 6801 1 18 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.296 1.334 17967 6802 1 18 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.302 0.028 17967 6803 1 18 . 1 1 44 44 VAL H H 42 7.820 7.820 8.022 -0.202 17967 6804 1 18 . 1 1 45 45 TYR N N 43 118.410 118.410 118.858 -0.448 17967 6805 1 18 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.116 0.314 17967 6806 1 18 . 1 1 45 45 TYR CA C 43 58.830 58.830 61.735 -2.905 17967 6807 1 18 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.637 -0.907 17967 6808 1 18 . 1 1 45 45 TYR H H 43 7.820 7.820 8.149 -0.329 17967 6809 1 18 . 1 1 46 46 ASP N N 44 122.410 122.410 119.713 2.697 17967 6810 1 18 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.330 0.270 17967 6811 1 18 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.733 0.097 17967 6812 1 18 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.152 0.878 17967 6813 1 18 . 1 1 46 46 ASP H H 44 8.540 8.540 8.164 0.376 17967 6814 1 18 . 1 1 47 47 PHE N N 45 126.210 126.210 119.689 6.521 17967 6815 1 18 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.042 -0.132 17967 6816 1 18 . 1 1 47 47 PHE CA C 45 62.630 62.630 62.093 0.537 17967 6817 1 18 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.038 0.292 17967 6818 1 18 . 1 1 47 47 PHE H H 45 8.320 8.320 7.579 0.741 17967 6819 1 18 . 1 1 48 48 ALA N N 46 119.110 119.110 119.286 -0.176 17967 6820 1 18 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.366 0.154 17967 6821 1 18 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.603 0.627 17967 6822 1 18 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.734 -0.004 17967 6823 1 18 . 1 1 48 48 ALA H H 46 7.740 7.740 7.759 -0.019 17967 6824 1 18 . 1 1 49 49 ARG N N 47 124.010 124.010 118.035 5.975 17967 6825 1 18 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.306 -0.256 17967 6826 1 18 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.559 2.071 17967 6827 1 18 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.446 -0.016 17967 6828 1 18 . 1 1 49 49 ARG H H 47 8.500 8.500 8.219 0.281 17967 6829 1 18 . 1 1 50 50 ARG N N 48 119.110 119.110 118.382 0.728 17967 6830 1 18 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.492 -0.482 17967 6831 1 18 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.030 2.100 17967 6832 1 18 . 1 1 50 50 ARG CB C 48 31.130 31.130 31.530 -0.400 17967 6833 1 18 . 1 1 50 50 ARG H H 48 7.940 7.940 7.932 0.008 17967 6834 1 18 . 1 1 51 51 ASP N N 49 120.910 120.910 119.688 1.222 17967 6835 1 18 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.722 -0.302 17967 6836 1 18 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.654 0.876 17967 6837 1 18 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.583 -0.653 17967 6838 1 18 . 1 1 51 51 ASP H H 49 7.950 7.950 8.307 -0.357 17967 6839 1 18 . 1 1 52 52 LEU N N 50 118.410 118.410 122.870 -4.460 17967 6840 1 18 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.507 -0.357 17967 6841 1 18 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.575 0.655 17967 6842 1 18 . 1 1 52 52 LEU CB C 50 41.130 41.130 43.118 -1.988 17967 6843 1 18 . 1 1 52 52 LEU H H 50 6.640 6.640 7.662 -1.022 17967 6844 1 18 . 1 1 53 53 CYS N N 51 117.410 117.410 116.699 0.711 17967 6845 1 18 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.341 -0.411 17967 6846 1 18 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.306 2.624 17967 6847 1 18 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.422 -1.792 17967 6848 1 18 . 1 1 53 53 CYS H H 51 8.030 8.030 8.038 -0.008 17967 6849 1 18 . 1 1 54 54 ILE N N 52 125.110 125.110 123.820 1.290 17967 6850 1 18 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.327 -0.317 17967 6851 1 18 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.788 -2.158 17967 6852 1 18 . 1 1 54 54 ILE CB C 52 37.330 37.330 39.100 -1.770 17967 6853 1 18 . 1 1 54 54 ILE H H 52 8.500 8.500 8.984 -0.484 17967 6854 1 18 . 1 1 55 55 VAL N N 53 127.010 127.010 122.374 4.636 17967 6855 1 18 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.554 -0.184 17967 6856 1 18 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.102 0.528 17967 6857 1 18 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.587 1.643 17967 6858 1 18 . 1 1 55 55 VAL H H 53 8.130 8.130 8.199 -0.069 17967 6859 1 18 . 1 1 56 56 TYR N N 54 124.910 124.910 127.184 -2.274 17967 6860 1 18 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.290 0.110 17967 6861 1 18 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.740 -0.410 17967 6862 1 18 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.377 1.653 17967 6863 1 18 . 1 1 56 56 TYR H H 54 8.700 8.700 8.641 0.059 17967 6864 1 18 . 1 1 57 57 ARG N N 55 123.810 123.810 124.983 -1.173 17967 6865 1 18 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.414 0.226 17967 6866 1 18 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.868 -0.438 17967 6867 1 18 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.354 2.476 17967 6868 1 18 . 1 1 57 57 ARG H H 55 8.870 8.870 8.370 0.500 17967 6869 1 18 . 1 1 58 58 ASP N N 56 129.110 129.110 124.027 5.083 17967 6870 1 18 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.321 -0.011 17967 6871 1 18 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.819 -0.989 17967 6872 1 18 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.239 -0.109 17967 6873 1 18 . 1 1 58 58 ASP H H 56 9.620 9.620 8.916 0.704 17967 6874 1 18 . 1 1 59 59 GLY N N 57 104.510 104.510 105.530 -1.020 17967 6875 1 18 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.301 0.329 17967 6876 1 18 . 1 1 59 59 GLY H H 57 8.720 8.720 8.446 0.274 17967 6877 1 18 . 1 1 60 60 ASN N N 58 122.210 122.210 120.174 2.036 17967 6878 1 18 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.591 -0.191 17967 6879 1 18 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.713 -0.383 17967 6880 1 18 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.232 0.198 17967 6881 1 18 . 1 1 60 60 ASN H H 58 8.120 8.120 8.134 -0.014 17967 6882 1 18 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.532 0.258 17967 6883 1 18 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.273 -0.243 17967 6884 1 18 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.356 2.174 17967 6885 1 18 . 1 1 62 62 TYR N N 60 119.810 119.810 122.809 -2.999 17967 6886 1 18 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.592 -0.232 17967 6887 1 18 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.318 1.912 17967 6888 1 18 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.447 0.983 17967 6889 1 18 . 1 1 62 62 TYR H H 60 8.590 8.590 7.624 0.966 17967 6890 1 18 . 1 1 63 63 ALA N N 61 123.810 123.810 122.305 1.505 17967 6891 1 18 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.287 0.133 17967 6892 1 18 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.346 -0.016 17967 6893 1 18 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.762 -0.432 17967 6894 1 18 . 1 1 63 63 ALA H H 61 8.010 8.010 8.889 -0.879 17967 6895 1 18 . 1 1 64 64 VAL N N 62 120.510 120.510 117.846 2.664 17967 6896 1 18 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.273 1.227 17967 6897 1 18 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.044 0.186 17967 6898 1 18 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.442 2.888 17967 6899 1 18 . 1 1 64 64 VAL H H 62 6.380 6.380 8.456 -2.076 17967 6900 1 18 . 1 1 65 65 CYS N N 63 130.310 130.310 124.493 5.817 17967 6901 1 18 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.478 0.082 17967 6902 1 18 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.066 0.364 17967 6903 1 18 . 1 1 65 65 CYS CB C 63 31.130 31.130 29.654 1.476 17967 6904 1 18 . 1 1 65 65 CYS H H 63 9.430 9.430 8.241 1.189 17967 6905 1 18 . 1 1 66 66 ASP N N 64 121.110 121.110 120.244 0.866 17967 6906 1 18 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.290 0.120 17967 6907 1 18 . 1 1 66 66 ASP CA C 64 58.230 58.230 57.951 0.279 17967 6908 1 18 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.969 1.361 17967 6909 1 18 . 1 1 66 66 ASP H H 64 9.120 9.120 8.804 0.316 17967 6910 1 18 . 1 1 67 67 LYS N N 65 122.110 122.110 119.301 2.809 17967 6911 1 18 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.962 0.048 17967 6912 1 18 . 1 1 67 67 LYS CA C 65 60.130 60.130 57.916 2.214 17967 6913 1 18 . 1 1 67 67 LYS CB C 65 32.830 32.830 31.551 1.279 17967 6914 1 18 . 1 1 67 67 LYS H H 65 8.330 8.330 7.545 0.785 17967 6915 1 18 . 1 1 68 68 CYS N N 66 125.610 125.610 119.753 5.857 17967 6916 1 18 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.065 0.045 17967 6917 1 18 . 1 1 68 68 CYS CA C 66 63.530 63.530 63.573 -0.043 17967 6918 1 18 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.173 4.557 17967 6919 1 18 . 1 1 68 68 CYS H H 66 8.700 8.700 7.797 0.903 17967 6920 1 18 . 1 1 69 69 LEU N N 67 125.310 125.310 120.160 5.150 17967 6921 1 18 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.026 -0.026 17967 6922 1 18 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.624 -0.094 17967 6923 1 18 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.909 0.221 17967 6924 1 18 . 1 1 69 69 LEU H H 67 8.470 8.470 8.551 -0.081 17967 6925 1 18 . 1 1 70 70 LYS N N 68 119.010 119.010 118.798 0.212 17967 6926 1 18 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.340 -0.360 17967 6927 1 18 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.401 0.429 17967 6928 1 18 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.985 0.145 17967 6929 1 18 . 1 1 70 70 LYS H H 68 7.810 7.810 7.458 0.352 17967 6930 1 18 . 1 1 71 71 PHE N N 69 121.710 121.710 120.621 1.089 17967 6931 1 18 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.198 0.082 17967 6932 1 18 . 1 1 71 71 PHE CA C 69 59.930 59.930 59.174 0.756 17967 6933 1 18 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.741 0.689 17967 6934 1 18 . 1 1 71 71 PHE H H 69 7.810 7.810 7.678 0.132 17967 6935 1 18 . 1 1 72 72 TYR N N 70 120.110 120.110 114.916 5.194 17967 6936 1 18 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.680 -0.360 17967 6937 1 18 . 1 1 72 72 TYR CA C 70 60.330 60.330 57.465 2.865 17967 6938 1 18 . 1 1 72 72 TYR CB C 70 40.430 40.430 37.140 3.290 17967 6939 1 18 . 1 1 72 72 TYR H H 70 8.280 8.280 8.583 -0.303 17967 6940 1 18 . 1 1 73 73 SER N N 71 117.210 117.210 116.805 0.405 17967 6941 1 18 . 1 1 73 73 SER HA H 71 4.320 4.320 4.283 0.037 17967 6942 1 18 . 1 1 73 73 SER CA C 71 60.130 60.130 61.629 -1.499 17967 6943 1 18 . 1 1 73 73 SER CB C 71 63.630 63.630 63.238 0.392 17967 6944 1 18 . 1 1 73 73 SER H H 71 7.870 7.870 7.771 0.099 17967 6945 1 18 . 1 1 74 74 LYS N N 72 122.810 122.810 120.416 2.394 17967 6946 1 18 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.388 -0.118 17967 6947 1 18 . 1 1 74 74 LYS CA C 72 56.930 56.930 56.955 -0.025 17967 6948 1 18 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.958 -0.328 17967 6949 1 18 . 1 1 74 74 LYS H H 72 7.800 7.800 8.457 -0.657 17967 6950 1 18 . 1 1 75 75 ILE N N 73 121.610 121.610 117.730 3.880 17967 6951 1 18 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.312 -0.202 17967 6952 1 18 . 1 1 75 75 ILE CA C 73 61.830 61.830 62.148 -0.318 17967 6953 1 18 . 1 1 75 75 ILE CB C 73 38.630 38.630 35.676 2.954 17967 6954 1 18 . 1 1 75 75 ILE H H 73 7.750 7.750 8.107 -0.357 17967 6955 1 18 . 1 1 76 76 SER N N 74 120.410 120.410 120.572 -0.162 17967 6956 1 18 . 1 1 76 76 SER HA H 74 4.300 4.300 4.685 -0.385 17967 6957 1 18 . 1 1 76 76 SER CA C 74 59.330 59.330 59.178 0.152 17967 6958 1 18 . 1 1 76 76 SER CB C 74 63.830 63.830 64.372 -0.542 17967 6959 1 18 . 1 1 76 76 SER H H 74 8.130 8.130 8.826 -0.696 17967 6960 1 18 . 1 1 77 77 GLU N N 75 123.810 123.810 123.763 0.047 17967 6961 1 18 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.211 -0.021 17967 6962 1 18 . 1 1 77 77 GLU CA C 75 57.330 57.330 57.621 -0.291 17967 6963 1 18 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.590 -0.460 17967 6964 1 18 . 1 1 77 77 GLU H H 75 8.270 8.270 7.858 0.412 17967 6965 1 18 . 1 1 78 78 TYR N N 76 122.410 122.410 121.961 0.449 17967 6966 1 18 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.248 0.212 17967 6967 1 18 . 1 1 78 78 TYR CA C 76 58.130 58.130 60.219 -2.089 17967 6968 1 18 . 1 1 78 78 TYR CB C 76 38.630 38.630 38.097 0.533 17967 6969 1 18 . 1 1 78 78 TYR H H 76 7.980 7.980 7.888 0.092 17967 6970 1 18 . 1 1 79 79 ARG N N 77 124.710 124.710 124.082 0.628 17967 6971 1 18 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.331 -0.131 17967 6972 1 18 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.514 0.515 17967 6973 1 18 . 1 1 79 79 ARG CB C 77 31.030 31.030 31.184 -0.154 17967 6974 1 18 . 1 1 79 79 ARG H H 77 7.880 7.880 8.330 -0.450 17967 6975 1 18 . 1 1 80 80 HIS N N 78 122.110 122.110 119.484 2.626 17967 6976 1 18 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.734 -0.224 17967 6977 1 18 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.630 0.700 17967 6978 1 18 . 1 1 80 80 HIS CB C 78 30.830 30.830 30.651 0.179 17967 6979 1 18 . 1 1 80 80 HIS H H 78 8.120 8.120 7.357 0.763 17967 6980 1 18 . 1 1 81 81 TYR N N 79 123.610 123.610 123.323 0.287 17967 6981 1 18 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.496 0.094 17967 6982 1 18 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.084 0.746 17967 6983 1 18 . 1 1 81 81 TYR CB C 79 39.130 39.130 40.275 -1.145 17967 6984 1 18 . 1 1 81 81 TYR H H 79 7.970 7.970 8.317 -0.347 17967 6985 1 19 . 1 1 2 2 ALA HA H 0 4.290 4.290 3.904 0.386 17967 6986 1 19 . 1 1 2 2 ALA CA C 0 52.530 52.530 53.895 -1.365 17967 6987 1 19 . 1 1 2 2 ALA CB C 0 19.730 19.730 18.055 1.675 17967 6988 1 19 . 1 1 3 3 MET N N 1 122.210 122.210 119.474 2.736 17967 6989 1 19 . 1 1 3 3 MET HA H 1 4.300 4.300 5.025 -0.725 17967 6990 1 19 . 1 1 3 3 MET CA C 1 56.030 56.030 54.517 1.513 17967 6991 1 19 . 1 1 3 3 MET CB C 1 33.430 33.430 33.673 -0.243 17967 6992 1 19 . 1 1 3 3 MET H H 1 8.370 8.370 7.700 0.670 17967 6993 1 19 . 1 1 4 4 PHE N N 2 122.310 122.310 127.907 -5.597 17967 6994 1 19 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.816 -0.186 17967 6995 1 19 . 1 1 4 4 PHE CA C 2 57.330 57.330 55.194 2.135 17967 6996 1 19 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.674 -1.244 17967 6997 1 19 . 1 1 4 4 PHE H H 2 8.370 8.370 8.569 -0.199 17967 6998 1 19 . 1 1 5 5 GLN N N 3 123.510 123.510 125.526 -2.016 17967 6999 1 19 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.522 -0.342 17967 7000 1 19 . 1 1 5 5 GLN CA C 3 56.130 56.130 53.601 2.529 17967 7001 1 19 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.846 -0.916 17967 7002 1 19 . 1 1 5 5 GLN H H 3 8.260 8.260 8.542 -0.282 17967 7003 1 19 . 1 1 6 6 ASP N N 4 125.010 125.010 120.984 4.026 17967 7004 1 19 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.577 0.213 17967 7005 1 19 . 1 1 6 6 ASP CA C 4 51.930 51.930 51.560 0.370 17967 7006 1 19 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.482 1.248 17967 7007 1 19 . 1 1 6 6 ASP H H 4 8.420 8.420 8.154 0.266 17967 7008 1 19 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.218 -0.098 17967 7009 1 19 . 1 1 7 7 PRO CA C 5 64.030 64.030 64.218 -0.188 17967 7010 1 19 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.854 0.476 17967 7011 1 19 . 1 1 8 8 GLN N N 6 119.710 119.710 118.182 1.528 17967 7012 1 19 . 1 1 8 8 GLN HA H 6 4.160 4.160 3.975 0.185 17967 7013 1 19 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.422 1.208 17967 7014 1 19 . 1 1 8 8 GLN CB C 6 29.330 29.330 25.943 3.387 17967 7015 1 19 . 1 1 8 8 GLN H H 6 8.430 8.430 7.994 0.436 17967 7016 1 19 . 1 1 9 9 GLU N N 7 122.110 122.110 120.247 1.863 17967 7017 1 19 . 1 1 9 9 GLU HA H 7 4.200 4.200 3.726 0.474 17967 7018 1 19 . 1 1 9 9 GLU CA C 7 56.030 56.030 58.069 -2.039 17967 7019 1 19 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.890 0.641 17967 7020 1 19 . 1 1 9 9 GLU H H 7 7.940 7.940 8.351 -0.411 17967 7021 1 19 . 1 1 10 10 ARG N N 8 123.410 123.410 114.635 8.775 17967 7022 1 19 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.130 0.270 17967 7023 1 19 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.805 -1.675 17967 7024 1 19 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.332 0.998 17967 7025 1 19 . 1 1 10 10 ARG H H 8 7.660 7.660 7.457 0.203 17967 7026 1 19 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.564 -0.214 17967 7027 1 19 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.711 0.819 17967 7028 1 19 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.801 -0.171 17967 7029 1 19 . 1 1 12 12 ARG N N 10 123.810 123.810 116.156 7.654 17967 7030 1 19 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.804 -0.134 17967 7031 1 19 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.771 1.059 17967 7032 1 19 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.647 0.883 17967 7033 1 19 . 1 1 12 12 ARG H H 10 8.710 8.710 8.656 0.054 17967 7034 1 19 . 1 1 13 13 LYS N N 11 118.410 118.410 119.173 -0.763 17967 7035 1 19 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.842 0.208 17967 7036 1 19 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.643 -1.313 17967 7037 1 19 . 1 1 13 13 LYS CB C 11 35.430 35.430 35.296 0.134 17967 7038 1 19 . 1 1 13 13 LYS H H 11 7.800 7.800 7.591 0.209 17967 7039 1 19 . 1 1 14 14 LEU N N 12 125.010 125.010 125.819 -0.809 17967 7040 1 19 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.213 -0.043 17967 7041 1 19 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.609 0.121 17967 7042 1 19 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.854 0.676 17967 7043 1 19 . 1 1 14 14 LEU H H 12 10.210 10.210 9.373 0.837 17967 7044 1 19 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.254 -0.034 17967 7045 1 19 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.785 1.445 17967 7046 1 19 . 1 1 15 15 PRO CB C 13 30.730 30.730 30.971 -0.241 17967 7047 1 19 . 1 1 16 16 GLN N N 14 117.810 117.810 117.429 0.381 17967 7048 1 19 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.134 0.056 17967 7049 1 19 . 1 1 16 16 GLN CA C 14 59.030 59.030 59.035 -0.005 17967 7050 1 19 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.238 0.392 17967 7051 1 19 . 1 1 16 16 GLN H H 14 7.110 7.110 8.424 -1.313 17967 7052 1 19 . 1 1 17 17 LEU N N 15 124.710 124.710 122.322 2.388 17967 7053 1 19 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.192 -0.182 17967 7054 1 19 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.883 0.447 17967 7055 1 19 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.726 0.304 17967 7056 1 19 . 1 1 17 17 LEU H H 15 8.010 8.010 8.239 -0.229 17967 7057 1 19 . 1 1 18 18 CYS N N 16 117.210 117.210 117.412 -0.202 17967 7058 1 19 . 1 1 18 18 CYS HA H 16 3.750 3.750 3.958 -0.208 17967 7059 1 19 . 1 1 18 18 CYS CA C 16 64.730 64.730 64.081 0.649 17967 7060 1 19 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.065 0.165 17967 7061 1 19 . 1 1 18 18 CYS H H 16 8.380 8.380 8.304 0.076 17967 7062 1 19 . 1 1 19 19 THR N N 17 117.810 117.810 116.613 1.197 17967 7063 1 19 . 1 1 19 19 THR HA H 17 4.000 4.000 3.954 0.046 17967 7064 1 19 . 1 1 19 19 THR CA C 17 66.830 66.830 67.148 -0.318 17967 7065 1 19 . 1 1 19 19 THR CB C 17 68.830 68.830 68.608 0.222 17967 7066 1 19 . 1 1 19 19 THR H H 17 7.720 7.720 7.799 -0.079 17967 7067 1 19 . 1 1 20 20 GLU N N 18 125.410 125.410 121.038 4.372 17967 7068 1 19 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.191 -0.121 17967 7069 1 19 . 1 1 20 20 GLU CA C 18 59.730 59.730 59.008 0.722 17967 7070 1 19 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.679 0.051 17967 7071 1 19 . 1 1 20 20 GLU H H 18 8.010 8.010 7.576 0.434 17967 7072 1 19 . 1 1 21 21 LEU N N 19 118.810 118.810 116.349 2.461 17967 7073 1 19 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.174 0.126 17967 7074 1 19 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.196 -0.366 17967 7075 1 19 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.674 0.656 17967 7076 1 19 . 1 1 21 21 LEU H H 19 8.010 8.010 8.018 -0.008 17967 7077 1 19 . 1 1 22 22 GLN N N 20 118.310 118.310 115.541 2.769 17967 7078 1 19 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.025 -0.075 17967 7079 1 19 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.127 -0.397 17967 7080 1 19 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.282 -0.152 17967 7081 1 19 . 1 1 22 22 GLN H H 20 7.860 7.860 7.852 0.008 17967 7082 1 19 . 1 1 23 23 THR N N 21 115.910 115.910 111.695 4.215 17967 7083 1 19 . 1 1 23 23 THR HA H 21 4.950 4.950 4.614 0.336 17967 7084 1 19 . 1 1 23 23 THR CA C 21 58.530 58.530 59.679 -1.149 17967 7085 1 19 . 1 1 23 23 THR CB C 21 70.330 70.330 70.309 0.021 17967 7086 1 19 . 1 1 23 23 THR H H 21 8.250 8.250 8.225 0.025 17967 7087 1 19 . 1 1 24 24 THR N N 22 112.810 112.810 114.157 -1.347 17967 7088 1 19 . 1 1 24 24 THR HA H 22 4.880 4.880 4.614 0.266 17967 7089 1 19 . 1 1 24 24 THR CA C 22 59.730 59.730 59.905 -0.175 17967 7090 1 19 . 1 1 24 24 THR CB C 22 74.130 74.130 71.642 2.488 17967 7091 1 19 . 1 1 24 24 THR H H 22 8.660 8.660 7.844 0.816 17967 7092 1 19 . 1 1 25 25 ILE N N 23 123.710 123.710 121.409 2.301 17967 7093 1 19 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.622 0.158 17967 7094 1 19 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.495 -1.065 17967 7095 1 19 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.607 1.023 17967 7096 1 19 . 1 1 25 25 ILE H H 23 9.060 9.060 8.439 0.621 17967 7097 1 19 . 1 1 26 26 HIS N N 24 119.510 119.510 114.999 4.511 17967 7098 1 19 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.829 -0.389 17967 7099 1 19 . 1 1 26 26 HIS CA C 24 57.030 57.030 56.203 0.827 17967 7100 1 19 . 1 1 26 26 HIS CB C 24 30.830 30.830 28.981 1.849 17967 7101 1 19 . 1 1 26 26 HIS H H 24 7.040 7.040 7.546 -0.506 17967 7102 1 19 . 1 1 27 27 ASP N N 25 116.810 116.810 117.700 -0.890 17967 7103 1 19 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.616 0.144 17967 7104 1 19 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.355 0.075 17967 7105 1 19 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.296 1.034 17967 7106 1 19 . 1 1 27 27 ASP H H 25 7.250 7.250 7.556 -0.306 17967 7107 1 19 . 1 1 28 28 ILE N N 26 123.210 123.210 122.344 0.866 17967 7108 1 19 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.863 0.067 17967 7109 1 19 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.432 0.598 17967 7110 1 19 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.722 -0.792 17967 7111 1 19 . 1 1 28 28 ILE H H 26 7.750 7.750 7.911 -0.161 17967 7112 1 19 . 1 1 29 29 ILE N N 27 131.110 131.110 128.690 2.420 17967 7113 1 19 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.176 0.204 17967 7114 1 19 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.872 -1.042 17967 7115 1 19 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.558 1.072 17967 7116 1 19 . 1 1 29 29 ILE H H 27 8.270 8.270 8.408 -0.138 17967 7117 1 19 . 1 1 30 30 LEU N N 28 129.410 129.410 129.471 -0.061 17967 7118 1 19 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.672 -0.012 17967 7119 1 19 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.390 -0.860 17967 7120 1 19 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.185 3.145 17967 7121 1 19 . 1 1 30 30 LEU H H 28 8.500 8.500 8.483 0.017 17967 7122 1 19 . 1 1 31 31 GLU N N 29 121.910 121.910 121.494 0.416 17967 7123 1 19 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.781 -0.101 17967 7124 1 19 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.389 0.541 17967 7125 1 19 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.337 0.694 17967 7126 1 19 . 1 1 31 31 GLU H H 29 8.860 8.860 8.273 0.587 17967 7127 1 19 . 1 1 32 32 CYS N N 30 125.710 125.710 120.050 5.660 17967 7128 1 19 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.921 -0.901 17967 7129 1 19 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.431 -1.201 17967 7130 1 19 . 1 1 32 32 CYS CB C 30 31.730 31.730 27.199 4.531 17967 7131 1 19 . 1 1 32 32 CYS H H 30 8.270 8.270 8.491 -0.221 17967 7132 1 19 . 1 1 33 33 VAL N N 31 132.310 132.310 127.959 4.351 17967 7133 1 19 . 1 1 33 33 VAL HA H 31 3.100 3.100 3.182 -0.082 17967 7134 1 19 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.521 -1.291 17967 7135 1 19 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.022 -0.392 17967 7136 1 19 . 1 1 33 33 VAL H H 31 8.860 8.860 7.899 0.961 17967 7137 1 19 . 1 1 34 34 TYR N N 32 124.310 124.310 115.280 9.030 17967 7138 1 19 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.650 -0.210 17967 7139 1 19 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.353 1.677 17967 7140 1 19 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.447 1.683 17967 7141 1 19 . 1 1 34 34 TYR H H 32 8.590 8.590 7.252 1.338 17967 7142 1 19 . 1 1 35 35 CYS N N 33 119.810 119.810 114.795 5.015 17967 7143 1 19 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.647 0.193 17967 7144 1 19 . 1 1 35 35 CYS CA C 33 59.430 59.430 58.352 1.078 17967 7145 1 19 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.813 4.417 17967 7146 1 19 . 1 1 35 35 CYS H H 33 8.070 8.070 7.702 0.368 17967 7147 1 19 . 1 1 36 36 LYS N N 34 119.910 119.910 115.614 4.296 17967 7148 1 19 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.960 0.230 17967 7149 1 19 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.301 0.529 17967 7150 1 19 . 1 1 36 36 LYS CB C 34 29.330 29.330 30.405 -1.075 17967 7151 1 19 . 1 1 36 36 LYS H H 34 7.860 7.860 7.878 -0.018 17967 7152 1 19 . 1 1 37 37 GLN N N 35 120.710 120.710 115.770 4.940 17967 7153 1 19 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.359 0.001 17967 7154 1 19 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.300 1.130 17967 7155 1 19 . 1 1 37 37 GLN CB C 35 29.630 29.630 29.564 0.065 17967 7156 1 19 . 1 1 37 37 GLN H H 35 8.270 8.270 7.674 0.596 17967 7157 1 19 . 1 1 38 38 GLN N N 36 123.710 123.710 122.002 1.708 17967 7158 1 19 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.153 0.147 17967 7159 1 19 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.500 0.230 17967 7160 1 19 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.857 0.473 17967 7161 1 19 . 1 1 38 38 GLN H H 36 8.640 8.640 8.546 0.094 17967 7162 1 19 . 1 1 39 39 LEU N N 37 131.310 131.310 127.392 3.918 17967 7163 1 19 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.139 -0.029 17967 7164 1 19 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.844 1.486 17967 7165 1 19 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.372 -0.442 17967 7166 1 19 . 1 1 39 39 LEU H H 37 8.870 8.870 7.938 0.932 17967 7167 1 19 . 1 1 40 40 LEU N N 38 126.310 126.310 123.522 2.788 17967 7168 1 19 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.273 0.037 17967 7169 1 19 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.805 -0.575 17967 7170 1 19 . 1 1 40 40 LEU CB C 38 43.130 43.130 42.985 0.145 17967 7171 1 19 . 1 1 40 40 LEU H H 38 9.850 9.850 8.198 1.652 17967 7172 1 19 . 1 1 41 41 ARG N N 39 127.110 127.110 125.824 1.286 17967 7173 1 19 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.757 -0.237 17967 7174 1 19 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.186 -1.356 17967 7175 1 19 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.121 -2.191 17967 7176 1 19 . 1 1 41 41 ARG H H 39 8.970 8.970 8.924 0.046 17967 7177 1 19 . 1 1 42 42 ARG N N 40 115.810 115.810 117.236 -1.426 17967 7178 1 19 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.332 -0.252 17967 7179 1 19 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.086 0.044 17967 7180 1 19 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.209 0.121 17967 7181 1 19 . 1 1 42 42 ARG H H 40 8.610 8.610 8.533 0.077 17967 7182 1 19 . 1 1 43 43 GLU N N 41 119.910 119.910 119.818 0.092 17967 7183 1 19 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.503 -0.253 17967 7184 1 19 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.630 0.400 17967 7185 1 19 . 1 1 43 43 GLU CB C 41 30.330 30.330 28.782 1.548 17967 7186 1 19 . 1 1 43 43 GLU H H 41 6.950 6.950 7.834 -0.884 17967 7187 1 19 . 1 1 44 44 VAL N N 42 125.010 125.010 120.161 4.849 17967 7188 1 19 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.601 -0.361 17967 7189 1 19 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.482 1.148 17967 7190 1 19 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.343 -0.013 17967 7191 1 19 . 1 1 44 44 VAL H H 42 7.820 7.820 7.982 -0.162 17967 7192 1 19 . 1 1 45 45 TYR N N 43 118.410 118.410 118.457 -0.047 17967 7193 1 19 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.159 0.271 17967 7194 1 19 . 1 1 45 45 TYR CA C 43 58.830 58.830 60.566 -1.736 17967 7195 1 19 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.483 -0.753 17967 7196 1 19 . 1 1 45 45 TYR H H 43 7.820 7.820 7.766 0.054 17967 7197 1 19 . 1 1 46 46 ASP N N 44 122.410 122.410 119.851 2.559 17967 7198 1 19 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.354 0.246 17967 7199 1 19 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.816 0.014 17967 7200 1 19 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.227 0.803 17967 7201 1 19 . 1 1 46 46 ASP H H 44 8.540 8.540 8.004 0.536 17967 7202 1 19 . 1 1 47 47 PHE N N 45 126.210 126.210 119.479 6.731 17967 7203 1 19 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.057 -0.147 17967 7204 1 19 . 1 1 47 47 PHE CA C 45 62.630 62.630 62.208 0.422 17967 7205 1 19 . 1 1 47 47 PHE CB C 45 39.330 39.330 38.992 0.338 17967 7206 1 19 . 1 1 47 47 PHE H H 45 8.320 8.320 7.699 0.621 17967 7207 1 19 . 1 1 48 48 ALA N N 46 119.110 119.110 119.103 0.007 17967 7208 1 19 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.399 0.121 17967 7209 1 19 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.542 0.688 17967 7210 1 19 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.780 -0.050 17967 7211 1 19 . 1 1 48 48 ALA H H 46 7.740 7.740 7.712 0.028 17967 7212 1 19 . 1 1 49 49 ARG N N 47 124.010 124.010 117.976 6.034 17967 7213 1 19 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.308 -0.258 17967 7214 1 19 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.490 2.140 17967 7215 1 19 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.402 0.028 17967 7216 1 19 . 1 1 49 49 ARG H H 47 8.500 8.500 8.321 0.179 17967 7217 1 19 . 1 1 50 50 ARG N N 48 119.110 119.110 117.515 1.595 17967 7218 1 19 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.566 -0.556 17967 7219 1 19 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.575 2.555 17967 7220 1 19 . 1 1 50 50 ARG CB C 48 31.130 31.130 32.258 -1.128 17967 7221 1 19 . 1 1 50 50 ARG H H 48 7.940 7.940 7.914 0.026 17967 7222 1 19 . 1 1 51 51 ASP N N 49 120.910 120.910 119.835 1.075 17967 7223 1 19 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.808 -0.388 17967 7224 1 19 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.657 0.873 17967 7225 1 19 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.778 -0.848 17967 7226 1 19 . 1 1 51 51 ASP H H 49 7.950 7.950 8.412 -0.462 17967 7227 1 19 . 1 1 52 52 LEU N N 50 118.410 118.410 120.676 -2.266 17967 7228 1 19 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.235 -0.085 17967 7229 1 19 . 1 1 52 52 LEU CA C 50 54.230 54.230 55.372 -1.142 17967 7230 1 19 . 1 1 52 52 LEU CB C 50 41.130 41.130 42.271 -1.141 17967 7231 1 19 . 1 1 52 52 LEU H H 50 6.640 6.640 7.410 -0.770 17967 7232 1 19 . 1 1 53 53 CYS N N 51 117.410 117.410 117.601 -0.191 17967 7233 1 19 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.282 -0.352 17967 7234 1 19 . 1 1 53 53 CYS CA C 51 58.930 58.930 55.272 3.658 17967 7235 1 19 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.455 -1.825 17967 7236 1 19 . 1 1 53 53 CYS H H 51 8.030 8.030 8.122 -0.092 17967 7237 1 19 . 1 1 54 54 ILE N N 52 125.110 125.110 123.193 1.917 17967 7238 1 19 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.445 -0.435 17967 7239 1 19 . 1 1 54 54 ILE CA C 52 59.630 59.630 62.174 -2.544 17967 7240 1 19 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.851 -1.521 17967 7241 1 19 . 1 1 54 54 ILE H H 52 8.500 8.500 9.024 -0.524 17967 7242 1 19 . 1 1 55 55 VAL N N 53 127.010 127.010 122.117 4.893 17967 7243 1 19 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.670 -0.300 17967 7244 1 19 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.721 -0.091 17967 7245 1 19 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.827 1.403 17967 7246 1 19 . 1 1 55 55 VAL H H 53 8.130 8.130 8.210 -0.080 17967 7247 1 19 . 1 1 56 56 TYR N N 54 124.910 124.910 126.827 -1.917 17967 7248 1 19 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.342 0.058 17967 7249 1 19 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.447 -0.117 17967 7250 1 19 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.295 1.735 17967 7251 1 19 . 1 1 56 56 TYR H H 54 8.700 8.700 8.764 -0.064 17967 7252 1 19 . 1 1 57 57 ARG N N 55 123.810 123.810 125.568 -1.758 17967 7253 1 19 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.434 0.206 17967 7254 1 19 . 1 1 57 57 ARG CA C 55 55.430 55.430 56.116 -0.686 17967 7255 1 19 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.433 2.397 17967 7256 1 19 . 1 1 57 57 ARG H H 55 8.870 8.870 8.528 0.342 17967 7257 1 19 . 1 1 58 58 ASP N N 56 129.110 129.110 125.251 3.859 17967 7258 1 19 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.365 -0.055 17967 7259 1 19 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.545 -0.715 17967 7260 1 19 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.606 -0.476 17967 7261 1 19 . 1 1 58 58 ASP H H 56 9.620 9.620 9.006 0.614 17967 7262 1 19 . 1 1 59 59 GLY N N 57 104.510 104.510 107.659 -3.149 17967 7263 1 19 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.387 0.243 17967 7264 1 19 . 1 1 59 59 GLY H H 57 8.720 8.720 8.581 0.139 17967 7265 1 19 . 1 1 60 60 ASN N N 58 122.210 122.210 118.484 3.726 17967 7266 1 19 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.276 0.124 17967 7267 1 19 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.717 -0.387 17967 7268 1 19 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.540 -1.110 17967 7269 1 19 . 1 1 60 60 ASN H H 58 8.120 8.120 7.936 0.184 17967 7270 1 19 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.698 0.092 17967 7271 1 19 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.379 -0.349 17967 7272 1 19 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.318 2.212 17967 7273 1 19 . 1 1 62 62 TYR N N 60 119.810 119.810 122.828 -3.018 17967 7274 1 19 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.559 -0.199 17967 7275 1 19 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.393 1.837 17967 7276 1 19 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.458 0.972 17967 7277 1 19 . 1 1 62 62 TYR H H 60 8.590 8.590 7.706 0.884 17967 7278 1 19 . 1 1 63 63 ALA N N 61 123.810 123.810 121.750 2.060 17967 7279 1 19 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.206 0.214 17967 7280 1 19 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.350 -0.020 17967 7281 1 19 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.699 -0.369 17967 7282 1 19 . 1 1 63 63 ALA H H 61 8.010 8.010 8.892 -0.882 17967 7283 1 19 . 1 1 64 64 VAL N N 62 120.510 120.510 117.994 2.516 17967 7284 1 19 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.303 1.197 17967 7285 1 19 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.304 -0.074 17967 7286 1 19 . 1 1 64 64 VAL CB C 62 36.330 36.330 32.387 3.943 17967 7287 1 19 . 1 1 64 64 VAL H H 62 6.380 6.380 8.480 -2.100 17967 7288 1 19 . 1 1 65 65 CYS N N 63 130.310 130.310 125.782 4.528 17967 7289 1 19 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.399 0.161 17967 7290 1 19 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.438 -0.008 17967 7291 1 19 . 1 1 65 65 CYS CB C 63 31.130 31.130 28.743 2.387 17967 7292 1 19 . 1 1 65 65 CYS H H 63 9.430 9.430 8.117 1.313 17967 7293 1 19 . 1 1 66 66 ASP N N 64 121.110 121.110 121.024 0.086 17967 7294 1 19 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.207 0.203 17967 7295 1 19 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.435 -0.206 17967 7296 1 19 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.971 1.359 17967 7297 1 19 . 1 1 66 66 ASP H H 64 9.120 9.120 8.712 0.408 17967 7298 1 19 . 1 1 67 67 LYS N N 65 122.110 122.110 118.990 3.120 17967 7299 1 19 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.814 0.196 17967 7300 1 19 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.872 1.258 17967 7301 1 19 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.301 0.529 17967 7302 1 19 . 1 1 67 67 LYS H H 65 8.330 8.330 7.569 0.761 17967 7303 1 19 . 1 1 68 68 CYS N N 66 125.610 125.610 118.557 7.053 17967 7304 1 19 . 1 1 68 68 CYS HA H 66 4.110 4.110 3.981 0.129 17967 7305 1 19 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.171 1.359 17967 7306 1 19 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.319 4.411 17967 7307 1 19 . 1 1 68 68 CYS H H 66 8.700 8.700 7.459 1.241 17967 7308 1 19 . 1 1 69 69 LEU N N 67 125.310 125.310 121.690 3.620 17967 7309 1 19 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.001 -0.001 17967 7310 1 19 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.205 0.325 17967 7311 1 19 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.516 0.614 17967 7312 1 19 . 1 1 69 69 LEU H H 67 8.470 8.470 8.834 -0.364 17967 7313 1 19 . 1 1 70 70 LYS N N 68 119.010 119.010 117.647 1.363 17967 7314 1 19 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.165 -0.185 17967 7315 1 19 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.608 0.223 17967 7316 1 19 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.962 0.169 17967 7317 1 19 . 1 1 70 70 LYS H H 68 7.810 7.810 7.626 0.184 17967 7318 1 19 . 1 1 71 71 PHE N N 69 121.710 121.710 118.764 2.946 17967 7319 1 19 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.154 0.126 17967 7320 1 19 . 1 1 71 71 PHE CA C 69 59.930 59.930 58.705 1.225 17967 7321 1 19 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.781 0.650 17967 7322 1 19 . 1 1 71 71 PHE H H 69 7.810 7.810 7.224 0.586 17967 7323 1 19 . 1 1 72 72 TYR N N 70 120.110 120.110 117.859 2.251 17967 7324 1 19 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.747 -0.427 17967 7325 1 19 . 1 1 72 72 TYR CA C 70 60.330 60.330 56.660 3.670 17967 7326 1 19 . 1 1 72 72 TYR CB C 70 40.430 40.430 36.394 4.036 17967 7327 1 19 . 1 1 72 72 TYR H H 70 8.280 8.280 8.429 -0.149 17967 7328 1 19 . 1 1 73 73 SER N N 71 117.210 117.210 117.472 -0.262 17967 7329 1 19 . 1 1 73 73 SER HA H 71 4.320 4.320 4.406 -0.086 17967 7330 1 19 . 1 1 73 73 SER CA C 71 60.130 60.130 59.392 0.738 17967 7331 1 19 . 1 1 73 73 SER CB C 71 63.630 63.630 63.770 -0.140 17967 7332 1 19 . 1 1 73 73 SER H H 71 7.870 7.870 8.113 -0.243 17967 7333 1 19 . 1 1 74 74 LYS N N 72 122.810 122.810 121.385 1.425 17967 7334 1 19 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.163 0.107 17967 7335 1 19 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.557 -0.627 17967 7336 1 19 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.685 -0.055 17967 7337 1 19 . 1 1 74 74 LYS H H 72 7.800 7.800 8.287 -0.487 17967 7338 1 19 . 1 1 75 75 ILE N N 73 121.610 121.610 119.864 1.746 17967 7339 1 19 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.131 -0.021 17967 7340 1 19 . 1 1 75 75 ILE CA C 73 61.830 61.830 61.791 0.039 17967 7341 1 19 . 1 1 75 75 ILE CB C 73 38.630 38.630 37.386 1.244 17967 7342 1 19 . 1 1 75 75 ILE H H 73 7.750 7.750 7.977 -0.227 17967 7343 1 19 . 1 1 76 76 SER N N 74 120.410 120.410 123.326 -2.916 17967 7344 1 19 . 1 1 76 76 SER HA H 74 4.300 4.300 4.627 -0.327 17967 7345 1 19 . 1 1 76 76 SER CA C 74 59.330 59.330 57.185 2.145 17967 7346 1 19 . 1 1 76 76 SER CB C 74 63.830 63.830 65.352 -1.522 17967 7347 1 19 . 1 1 76 76 SER H H 74 8.130 8.130 8.269 -0.139 17967 7348 1 19 . 1 1 77 77 GLU N N 75 123.810 123.810 124.301 -0.491 17967 7349 1 19 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.073 0.117 17967 7350 1 19 . 1 1 77 77 GLU CA C 75 57.330 57.330 57.493 -0.163 17967 7351 1 19 . 1 1 77 77 GLU CB C 75 30.130 30.130 28.947 1.183 17967 7352 1 19 . 1 1 77 77 GLU H H 75 8.270 8.270 8.711 -0.441 17967 7353 1 19 . 1 1 78 78 TYR N N 76 122.410 122.410 125.843 -3.433 17967 7354 1 19 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.766 -0.306 17967 7355 1 19 . 1 1 78 78 TYR CA C 76 58.130 58.130 58.123 0.007 17967 7356 1 19 . 1 1 78 78 TYR CB C 76 38.630 38.630 39.334 -0.704 17967 7357 1 19 . 1 1 78 78 TYR H H 76 7.980 7.980 7.971 0.009 17967 7358 1 19 . 1 1 79 79 ARG N N 77 124.710 124.710 125.284 -0.574 17967 7359 1 19 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.529 -0.329 17967 7360 1 19 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.787 0.243 17967 7361 1 19 . 1 1 79 79 ARG CB C 77 31.030 31.030 30.746 0.284 17967 7362 1 19 . 1 1 79 79 ARG H H 77 7.880 7.880 8.486 -0.606 17967 7363 1 19 . 1 1 80 80 HIS N N 78 122.110 122.110 120.671 1.439 17967 7364 1 19 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.616 -0.106 17967 7365 1 19 . 1 1 80 80 HIS CA C 78 56.330 56.330 56.216 0.114 17967 7366 1 19 . 1 1 80 80 HIS CB C 78 30.830 30.830 28.498 2.332 17967 7367 1 19 . 1 1 80 80 HIS H H 78 8.120 8.120 7.892 0.228 17967 7368 1 19 . 1 1 81 81 TYR N N 79 123.610 123.610 125.336 -1.726 17967 7369 1 19 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.483 0.107 17967 7370 1 19 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.387 0.443 17967 7371 1 19 . 1 1 81 81 TYR CB C 79 39.130 39.130 40.875 -1.745 17967 7372 1 19 . 1 1 81 81 TYR H H 79 7.970 7.970 7.972 -0.002 17967 7373 1 20 . 1 1 2 2 ALA HA H 0 4.290 4.290 4.445 -0.155 17967 7374 1 20 . 1 1 2 2 ALA CA C 0 52.530 52.530 51.732 0.798 17967 7375 1 20 . 1 1 2 2 ALA CB C 0 19.730 19.730 18.437 1.293 17967 7376 1 20 . 1 1 3 3 MET N N 1 122.210 122.210 124.258 -2.048 17967 7377 1 20 . 1 1 3 3 MET HA H 1 4.300 4.300 4.650 -0.350 17967 7378 1 20 . 1 1 3 3 MET CA C 1 56.030 56.030 53.583 2.447 17967 7379 1 20 . 1 1 3 3 MET CB C 1 33.430 33.430 31.032 2.398 17967 7380 1 20 . 1 1 3 3 MET H H 1 8.370 8.370 8.552 -0.182 17967 7381 1 20 . 1 1 4 4 PHE N N 2 122.310 122.310 124.861 -2.551 17967 7382 1 20 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.763 -0.133 17967 7383 1 20 . 1 1 4 4 PHE CA C 2 57.330 57.330 55.638 1.692 17967 7384 1 20 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.125 -1.695 17967 7385 1 20 . 1 1 4 4 PHE H H 2 8.370 8.370 7.939 0.431 17967 7386 1 20 . 1 1 5 5 GLN N N 3 123.510 123.510 117.964 5.546 17967 7387 1 20 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.600 -0.420 17967 7388 1 20 . 1 1 5 5 GLN CA C 3 56.130 56.130 53.892 2.238 17967 7389 1 20 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.615 -0.685 17967 7390 1 20 . 1 1 5 5 GLN H H 3 8.260 8.260 8.187 0.073 17967 7391 1 20 . 1 1 6 6 ASP N N 4 125.010 125.010 118.963 6.047 17967 7392 1 20 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.673 0.117 17967 7393 1 20 . 1 1 6 6 ASP CA C 4 51.930 51.930 52.669 -0.739 17967 7394 1 20 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.005 0.725 17967 7395 1 20 . 1 1 6 6 ASP H H 4 8.420 8.420 8.592 -0.172 17967 7396 1 20 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.600 -0.480 17967 7397 1 20 . 1 1 7 7 PRO CA C 5 64.030 64.030 63.689 0.341 17967 7398 1 20 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.955 -0.625 17967 7399 1 20 . 1 1 8 8 GLN N N 6 119.710 119.710 117.803 1.907 17967 7400 1 20 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.194 -0.034 17967 7401 1 20 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.622 1.008 17967 7402 1 20 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.443 0.887 17967 7403 1 20 . 1 1 8 8 GLN H H 6 8.430 8.430 8.309 0.121 17967 7404 1 20 . 1 1 9 9 GLU N N 7 122.110 122.110 120.271 1.839 17967 7405 1 20 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.096 0.104 17967 7406 1 20 . 1 1 9 9 GLU CA C 7 56.030 56.030 56.998 -0.968 17967 7407 1 20 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.863 0.667 17967 7408 1 20 . 1 1 9 9 GLU H H 7 7.940 7.940 8.514 -0.574 17967 7409 1 20 . 1 1 10 10 ARG N N 8 123.410 123.410 118.906 4.504 17967 7410 1 20 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.810 -0.410 17967 7411 1 20 . 1 1 10 10 ARG CA C 8 54.130 54.130 52.357 1.773 17967 7412 1 20 . 1 1 10 10 ARG CB C 8 29.330 29.330 29.040 0.291 17967 7413 1 20 . 1 1 10 10 ARG H H 8 7.660 7.660 7.708 -0.048 17967 7414 1 20 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.617 -0.267 17967 7415 1 20 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.275 1.255 17967 7416 1 20 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.168 -0.538 17967 7417 1 20 . 1 1 12 12 ARG N N 10 123.810 123.810 119.819 3.991 17967 7418 1 20 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.593 0.077 17967 7419 1 20 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.110 0.720 17967 7420 1 20 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.611 1.919 17967 7421 1 20 . 1 1 12 12 ARG H H 10 8.710 8.710 8.793 -0.083 17967 7422 1 20 . 1 1 13 13 LYS N N 11 118.410 118.410 119.232 -0.822 17967 7423 1 20 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.720 0.330 17967 7424 1 20 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.337 -1.008 17967 7425 1 20 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.623 0.807 17967 7426 1 20 . 1 1 13 13 LYS H H 11 7.800 7.800 7.536 0.264 17967 7427 1 20 . 1 1 14 14 LEU N N 12 125.010 125.010 127.452 -2.442 17967 7428 1 20 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.204 -0.034 17967 7429 1 20 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.609 0.121 17967 7430 1 20 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.784 0.746 17967 7431 1 20 . 1 1 14 14 LEU H H 12 10.210 10.210 9.231 0.979 17967 7432 1 20 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.236 -0.016 17967 7433 1 20 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.521 1.709 17967 7434 1 20 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.118 -0.388 17967 7435 1 20 . 1 1 16 16 GLN N N 14 117.810 117.810 117.875 -0.065 17967 7436 1 20 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.124 0.066 17967 7437 1 20 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.915 0.115 17967 7438 1 20 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.347 0.283 17967 7439 1 20 . 1 1 16 16 GLN H H 14 7.110 7.110 8.322 -1.212 17967 7440 1 20 . 1 1 17 17 LEU N N 15 124.710 124.710 122.063 2.647 17967 7441 1 20 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.152 -0.142 17967 7442 1 20 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.711 0.619 17967 7443 1 20 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.684 0.346 17967 7444 1 20 . 1 1 17 17 LEU H H 15 8.010 8.010 8.091 -0.081 17967 7445 1 20 . 1 1 18 18 CYS N N 16 117.210 117.210 117.131 0.079 17967 7446 1 20 . 1 1 18 18 CYS HA H 16 3.750 3.750 3.953 -0.203 17967 7447 1 20 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.864 0.866 17967 7448 1 20 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.114 0.116 17967 7449 1 20 . 1 1 18 18 CYS H H 16 8.380 8.380 8.554 -0.174 17967 7450 1 20 . 1 1 19 19 THR N N 17 117.810 117.810 115.655 2.155 17967 7451 1 20 . 1 1 19 19 THR HA H 17 4.000 4.000 4.060 -0.060 17967 7452 1 20 . 1 1 19 19 THR CA C 17 66.830 66.830 66.700 0.130 17967 7453 1 20 . 1 1 19 19 THR CB C 17 68.830 68.830 68.360 0.470 17967 7454 1 20 . 1 1 19 19 THR H H 17 7.720 7.720 7.763 -0.043 17967 7455 1 20 . 1 1 20 20 GLU N N 18 125.410 125.410 121.315 4.095 17967 7456 1 20 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.176 -0.106 17967 7457 1 20 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.731 0.999 17967 7458 1 20 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.685 0.045 17967 7459 1 20 . 1 1 20 20 GLU H H 18 8.010 8.010 7.680 0.330 17967 7460 1 20 . 1 1 21 21 LEU N N 19 118.810 118.810 117.415 1.395 17967 7461 1 20 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.336 -0.036 17967 7462 1 20 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.600 -0.770 17967 7463 1 20 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.696 0.635 17967 7464 1 20 . 1 1 21 21 LEU H H 19 8.010 8.010 7.864 0.146 17967 7465 1 20 . 1 1 22 22 GLN N N 20 118.310 118.310 114.061 4.249 17967 7466 1 20 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.093 -0.143 17967 7467 1 20 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.159 -0.429 17967 7468 1 20 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.174 -0.045 17967 7469 1 20 . 1 1 22 22 GLN H H 20 7.860 7.860 7.467 0.393 17967 7470 1 20 . 1 1 23 23 THR N N 21 115.910 115.910 112.636 3.274 17967 7471 1 20 . 1 1 23 23 THR HA H 21 4.950 4.950 4.519 0.431 17967 7472 1 20 . 1 1 23 23 THR CA C 21 58.530 58.530 60.373 -1.843 17967 7473 1 20 . 1 1 23 23 THR CB C 21 70.330 70.330 70.960 -0.630 17967 7474 1 20 . 1 1 23 23 THR H H 21 8.250 8.250 8.198 0.052 17967 7475 1 20 . 1 1 24 24 THR N N 22 112.810 112.810 114.283 -1.473 17967 7476 1 20 . 1 1 24 24 THR HA H 22 4.880 4.880 4.633 0.247 17967 7477 1 20 . 1 1 24 24 THR CA C 22 59.730 59.730 60.177 -0.447 17967 7478 1 20 . 1 1 24 24 THR CB C 22 74.130 74.130 71.135 2.995 17967 7479 1 20 . 1 1 24 24 THR H H 22 8.660 8.660 7.853 0.807 17967 7480 1 20 . 1 1 25 25 ILE N N 23 123.710 123.710 119.993 3.717 17967 7481 1 20 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.700 0.080 17967 7482 1 20 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.122 -0.692 17967 7483 1 20 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.911 0.719 17967 7484 1 20 . 1 1 25 25 ILE H H 23 9.060 9.060 8.119 0.941 17967 7485 1 20 . 1 1 26 26 HIS N N 24 119.510 119.510 112.562 6.948 17967 7486 1 20 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.713 -0.273 17967 7487 1 20 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.411 1.619 17967 7488 1 20 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.241 1.589 17967 7489 1 20 . 1 1 26 26 HIS H H 24 7.040 7.040 7.400 -0.360 17967 7490 1 20 . 1 1 27 27 ASP N N 25 116.810 116.810 118.239 -1.429 17967 7491 1 20 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.675 0.085 17967 7492 1 20 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.812 0.618 17967 7493 1 20 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.374 0.956 17967 7494 1 20 . 1 1 27 27 ASP H H 25 7.250 7.250 7.597 -0.347 17967 7495 1 20 . 1 1 28 28 ILE N N 26 123.210 123.210 121.153 2.057 17967 7496 1 20 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.874 0.056 17967 7497 1 20 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.355 0.675 17967 7498 1 20 . 1 1 28 28 ILE CB C 26 37.930 37.930 39.049 -1.119 17967 7499 1 20 . 1 1 28 28 ILE H H 26 7.750 7.750 7.772 -0.022 17967 7500 1 20 . 1 1 29 29 ILE N N 27 131.110 131.110 128.067 3.043 17967 7501 1 20 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.093 0.287 17967 7502 1 20 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.730 -0.900 17967 7503 1 20 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.486 1.144 17967 7504 1 20 . 1 1 29 29 ILE H H 27 8.270 8.270 8.262 0.008 17967 7505 1 20 . 1 1 30 30 LEU N N 28 129.410 129.410 129.241 0.169 17967 7506 1 20 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.522 0.138 17967 7507 1 20 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.486 -0.957 17967 7508 1 20 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.654 2.676 17967 7509 1 20 . 1 1 30 30 LEU H H 28 8.500 8.500 8.348 0.152 17967 7510 1 20 . 1 1 31 31 GLU N N 29 121.910 121.910 121.450 0.460 17967 7511 1 20 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.786 -0.106 17967 7512 1 20 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.298 0.632 17967 7513 1 20 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.462 0.567 17967 7514 1 20 . 1 1 31 31 GLU H H 29 8.860 8.860 8.207 0.653 17967 7515 1 20 . 1 1 32 32 CYS N N 30 125.710 125.710 120.103 5.607 17967 7516 1 20 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.898 -0.878 17967 7517 1 20 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.422 -1.192 17967 7518 1 20 . 1 1 32 32 CYS CB C 30 31.730 31.730 27.139 4.591 17967 7519 1 20 . 1 1 32 32 CYS H H 30 8.270 8.270 8.366 -0.096 17967 7520 1 20 . 1 1 33 33 VAL N N 31 132.310 132.310 127.725 4.585 17967 7521 1 20 . 1 1 33 33 VAL HA H 31 3.100 3.100 2.728 0.372 17967 7522 1 20 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.323 -1.093 17967 7523 1 20 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.892 -0.262 17967 7524 1 20 . 1 1 33 33 VAL H H 31 8.860 8.860 7.702 1.158 17967 7525 1 20 . 1 1 34 34 TYR N N 32 124.310 124.310 114.252 10.058 17967 7526 1 20 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.475 -0.035 17967 7527 1 20 . 1 1 34 34 TYR CA C 32 61.030 61.030 58.985 2.045 17967 7528 1 20 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.545 1.585 17967 7529 1 20 . 1 1 34 34 TYR H H 32 8.590 8.590 7.032 1.558 17967 7530 1 20 . 1 1 35 35 CYS N N 33 119.810 119.810 115.771 4.039 17967 7531 1 20 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.662 0.178 17967 7532 1 20 . 1 1 35 35 CYS CA C 33 59.430 59.430 58.120 1.310 17967 7533 1 20 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.044 4.186 17967 7534 1 20 . 1 1 35 35 CYS H H 33 8.070 8.070 7.561 0.509 17967 7535 1 20 . 1 1 36 36 LYS N N 34 119.910 119.910 115.834 4.076 17967 7536 1 20 . 1 1 36 36 LYS HA H 34 4.190 4.190 4.003 0.187 17967 7537 1 20 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.126 0.704 17967 7538 1 20 . 1 1 36 36 LYS CB C 34 29.330 29.330 30.616 -1.286 17967 7539 1 20 . 1 1 36 36 LYS H H 34 7.860 7.860 7.930 -0.070 17967 7540 1 20 . 1 1 37 37 GLN N N 35 120.710 120.710 117.489 3.221 17967 7541 1 20 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.285 0.075 17967 7542 1 20 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.921 0.509 17967 7543 1 20 . 1 1 37 37 GLN CB C 35 29.630 29.630 29.088 0.542 17967 7544 1 20 . 1 1 37 37 GLN H H 35 8.270 8.270 7.708 0.562 17967 7545 1 20 . 1 1 38 38 GLN N N 36 123.710 123.710 123.895 -0.185 17967 7546 1 20 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.128 0.172 17967 7547 1 20 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.519 0.211 17967 7548 1 20 . 1 1 38 38 GLN CB C 36 29.330 29.330 29.084 0.246 17967 7549 1 20 . 1 1 38 38 GLN H H 36 8.640 8.640 8.592 0.048 17967 7550 1 20 . 1 1 39 39 LEU N N 37 131.310 131.310 127.527 3.783 17967 7551 1 20 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.209 -0.099 17967 7552 1 20 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.245 2.085 17967 7553 1 20 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.422 -0.492 17967 7554 1 20 . 1 1 39 39 LEU H H 37 8.870 8.870 8.050 0.820 17967 7555 1 20 . 1 1 40 40 LEU N N 38 126.310 126.310 124.653 1.657 17967 7556 1 20 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.304 0.006 17967 7557 1 20 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.725 -0.495 17967 7558 1 20 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.342 -0.212 17967 7559 1 20 . 1 1 40 40 LEU H H 38 9.850 9.850 8.388 1.462 17967 7560 1 20 . 1 1 41 41 ARG N N 39 127.110 127.110 125.335 1.775 17967 7561 1 20 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.760 -0.240 17967 7562 1 20 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.178 -1.348 17967 7563 1 20 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.063 -2.133 17967 7564 1 20 . 1 1 41 41 ARG H H 39 8.970 8.970 8.840 0.130 17967 7565 1 20 . 1 1 42 42 ARG N N 40 115.810 115.810 118.824 -3.014 17967 7566 1 20 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.369 -0.289 17967 7567 1 20 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.880 -0.750 17967 7568 1 20 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.721 -0.391 17967 7569 1 20 . 1 1 42 42 ARG H H 40 8.610 8.610 8.549 0.061 17967 7570 1 20 . 1 1 43 43 GLU N N 41 119.910 119.910 120.041 -0.131 17967 7571 1 20 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.439 -0.189 17967 7572 1 20 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.947 0.083 17967 7573 1 20 . 1 1 43 43 GLU CB C 41 30.330 30.330 28.810 1.520 17967 7574 1 20 . 1 1 43 43 GLU H H 41 6.950 6.950 7.917 -0.967 17967 7575 1 20 . 1 1 44 44 VAL N N 42 125.010 125.010 120.251 4.759 17967 7576 1 20 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.628 -0.388 17967 7577 1 20 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.454 1.176 17967 7578 1 20 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.185 0.145 17967 7579 1 20 . 1 1 44 44 VAL H H 42 7.820 7.820 7.935 -0.115 17967 7580 1 20 . 1 1 45 45 TYR N N 43 118.410 118.410 119.044 -0.634 17967 7581 1 20 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.128 0.302 17967 7582 1 20 . 1 1 45 45 TYR CA C 43 58.830 58.830 60.496 -1.666 17967 7583 1 20 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.196 -0.466 17967 7584 1 20 . 1 1 45 45 TYR H H 43 7.820 7.820 7.989 -0.169 17967 7585 1 20 . 1 1 46 46 ASP N N 44 122.410 122.410 120.018 2.392 17967 7586 1 20 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.319 0.281 17967 7587 1 20 . 1 1 46 46 ASP CA C 44 57.830 57.830 58.123 -0.293 17967 7588 1 20 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.481 0.549 17967 7589 1 20 . 1 1 46 46 ASP H H 44 8.540 8.540 8.391 0.149 17967 7590 1 20 . 1 1 47 47 PHE N N 45 126.210 126.210 119.381 6.829 17967 7591 1 20 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.132 -0.222 17967 7592 1 20 . 1 1 47 47 PHE CA C 45 62.630 62.630 62.005 0.625 17967 7593 1 20 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.101 0.229 17967 7594 1 20 . 1 1 47 47 PHE H H 45 8.320 8.320 7.770 0.550 17967 7595 1 20 . 1 1 48 48 ALA N N 46 119.110 119.110 119.093 0.017 17967 7596 1 20 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.378 0.142 17967 7597 1 20 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.651 0.579 17967 7598 1 20 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.776 -0.047 17967 7599 1 20 . 1 1 48 48 ALA H H 46 7.740 7.740 7.676 0.064 17967 7600 1 20 . 1 1 49 49 ARG N N 47 124.010 124.010 117.506 6.504 17967 7601 1 20 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.327 -0.277 17967 7602 1 20 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.108 2.522 17967 7603 1 20 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.346 0.084 17967 7604 1 20 . 1 1 49 49 ARG H H 47 8.500 8.500 8.285 0.215 17967 7605 1 20 . 1 1 50 50 ARG N N 48 119.110 119.110 118.281 0.829 17967 7606 1 20 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.544 -0.534 17967 7607 1 20 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.778 2.352 17967 7608 1 20 . 1 1 50 50 ARG CB C 48 31.130 31.130 32.143 -1.013 17967 7609 1 20 . 1 1 50 50 ARG H H 48 7.940 7.940 7.769 0.171 17967 7610 1 20 . 1 1 51 51 ASP N N 49 120.910 120.910 119.956 0.954 17967 7611 1 20 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.734 -0.314 17967 7612 1 20 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.587 0.942 17967 7613 1 20 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.715 -0.785 17967 7614 1 20 . 1 1 51 51 ASP H H 49 7.950 7.950 8.327 -0.377 17967 7615 1 20 . 1 1 52 52 LEU N N 50 118.410 118.410 123.137 -4.727 17967 7616 1 20 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.580 -0.430 17967 7617 1 20 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.112 1.118 17967 7618 1 20 . 1 1 52 52 LEU CB C 50 41.130 41.130 45.016 -3.886 17967 7619 1 20 . 1 1 52 52 LEU H H 50 6.640 6.640 7.505 -0.865 17967 7620 1 20 . 1 1 53 53 CYS N N 51 117.410 117.410 117.098 0.312 17967 7621 1 20 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.466 -0.536 17967 7622 1 20 . 1 1 53 53 CYS CA C 51 58.930 58.930 55.912 3.018 17967 7623 1 20 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.719 -2.089 17967 7624 1 20 . 1 1 53 53 CYS H H 51 8.030 8.030 8.050 -0.020 17967 7625 1 20 . 1 1 54 54 ILE N N 52 125.110 125.110 122.886 2.224 17967 7626 1 20 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.361 -0.351 17967 7627 1 20 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.727 -2.096 17967 7628 1 20 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.876 -1.546 17967 7629 1 20 . 1 1 54 54 ILE H H 52 8.500 8.500 8.648 -0.147 17967 7630 1 20 . 1 1 55 55 VAL N N 53 127.010 127.010 122.605 4.405 17967 7631 1 20 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.577 -0.207 17967 7632 1 20 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.499 0.131 17967 7633 1 20 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.595 1.635 17967 7634 1 20 . 1 1 55 55 VAL H H 53 8.130 8.130 8.208 -0.078 17967 7635 1 20 . 1 1 56 56 TYR N N 54 124.910 124.910 126.879 -1.969 17967 7636 1 20 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.304 0.096 17967 7637 1 20 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.607 -0.277 17967 7638 1 20 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.581 1.449 17967 7639 1 20 . 1 1 56 56 TYR H H 54 8.700 8.700 8.639 0.061 17967 7640 1 20 . 1 1 57 57 ARG N N 55 123.810 123.810 125.704 -1.894 17967 7641 1 20 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.432 0.208 17967 7642 1 20 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.551 -0.121 17967 7643 1 20 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.286 2.544 17967 7644 1 20 . 1 1 57 57 ARG H H 55 8.870 8.870 8.426 0.444 17967 7645 1 20 . 1 1 58 58 ASP N N 56 129.110 129.110 125.376 3.734 17967 7646 1 20 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.299 0.011 17967 7647 1 20 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.982 -1.152 17967 7648 1 20 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.236 -0.106 17967 7649 1 20 . 1 1 58 58 ASP H H 56 9.620 9.620 9.115 0.505 17967 7650 1 20 . 1 1 59 59 GLY N N 57 104.510 104.510 105.290 -0.780 17967 7651 1 20 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.165 0.465 17967 7652 1 20 . 1 1 59 59 GLY H H 57 8.720 8.720 8.292 0.428 17967 7653 1 20 . 1 1 60 60 ASN N N 58 122.210 122.210 119.094 3.116 17967 7654 1 20 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.285 0.115 17967 7655 1 20 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.747 -0.417 17967 7656 1 20 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.962 -0.532 17967 7657 1 20 . 1 1 60 60 ASN H H 58 8.120 8.120 7.959 0.161 17967 7658 1 20 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.492 0.298 17967 7659 1 20 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.241 -0.211 17967 7660 1 20 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.288 2.241 17967 7661 1 20 . 1 1 62 62 TYR N N 60 119.810 119.810 122.328 -2.518 17967 7662 1 20 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.507 -0.147 17967 7663 1 20 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.378 1.852 17967 7664 1 20 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.556 0.874 17967 7665 1 20 . 1 1 62 62 TYR H H 60 8.590 8.590 7.603 0.987 17967 7666 1 20 . 1 1 63 63 ALA N N 61 123.810 123.810 121.554 2.256 17967 7667 1 20 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.178 0.242 17967 7668 1 20 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.237 0.093 17967 7669 1 20 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.772 -0.442 17967 7670 1 20 . 1 1 63 63 ALA H H 61 8.010 8.010 8.862 -0.852 17967 7671 1 20 . 1 1 64 64 VAL N N 62 120.510 120.510 118.127 2.383 17967 7672 1 20 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.243 1.257 17967 7673 1 20 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.307 -0.077 17967 7674 1 20 . 1 1 64 64 VAL CB C 62 36.330 36.330 32.157 4.173 17967 7675 1 20 . 1 1 64 64 VAL H H 62 6.380 6.380 8.436 -2.056 17967 7676 1 20 . 1 1 65 65 CYS N N 63 130.310 130.310 125.757 4.553 17967 7677 1 20 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.387 0.173 17967 7678 1 20 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.509 -0.079 17967 7679 1 20 . 1 1 65 65 CYS CB C 63 31.130 31.130 28.744 2.386 17967 7680 1 20 . 1 1 65 65 CYS H H 63 9.430 9.430 8.134 1.296 17967 7681 1 20 . 1 1 66 66 ASP N N 64 121.110 121.110 120.977 0.133 17967 7682 1 20 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.264 0.146 17967 7683 1 20 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.391 -0.161 17967 7684 1 20 . 1 1 66 66 ASP CB C 64 42.330 42.330 41.073 1.257 17967 7685 1 20 . 1 1 66 66 ASP H H 64 9.120 9.120 8.788 0.332 17967 7686 1 20 . 1 1 67 67 LYS N N 65 122.110 122.110 119.330 2.780 17967 7687 1 20 . 1 1 67 67 LYS HA H 65 4.010 4.010 4.112 -0.102 17967 7688 1 20 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.063 1.067 17967 7689 1 20 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.396 0.434 17967 7690 1 20 . 1 1 67 67 LYS H H 65 8.330 8.330 7.858 0.472 17967 7691 1 20 . 1 1 68 68 CYS N N 66 125.610 125.610 118.890 6.720 17967 7692 1 20 . 1 1 68 68 CYS HA H 66 4.110 4.110 3.838 0.272 17967 7693 1 20 . 1 1 68 68 CYS CA C 66 63.530 63.530 61.682 1.848 17967 7694 1 20 . 1 1 68 68 CYS CB C 66 30.730 30.730 25.933 4.798 17967 7695 1 20 . 1 1 68 68 CYS H H 66 8.700 8.700 7.592 1.108 17967 7696 1 20 . 1 1 69 69 LEU N N 67 125.310 125.310 120.372 4.938 17967 7697 1 20 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.106 -0.106 17967 7698 1 20 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.114 0.416 17967 7699 1 20 . 1 1 69 69 LEU CB C 67 42.130 42.130 42.000 0.130 17967 7700 1 20 . 1 1 69 69 LEU H H 67 8.470 8.470 8.543 -0.073 17967 7701 1 20 . 1 1 70 70 LYS N N 68 119.010 119.010 116.758 2.252 17967 7702 1 20 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.245 -0.265 17967 7703 1 20 . 1 1 70 70 LYS CA C 68 58.830 58.830 57.688 1.142 17967 7704 1 20 . 1 1 70 70 LYS CB C 68 32.130 32.130 32.130 -0.000 17967 7705 1 20 . 1 1 70 70 LYS H H 68 7.810 7.810 7.659 0.151 17967 7706 1 20 . 1 1 71 71 PHE N N 69 121.710 121.710 118.369 3.341 17967 7707 1 20 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.207 0.073 17967 7708 1 20 . 1 1 71 71 PHE CA C 69 59.930 59.930 60.495 -0.565 17967 7709 1 20 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.460 -0.030 17967 7710 1 20 . 1 1 71 71 PHE H H 69 7.810 7.810 7.441 0.369 17967 7711 1 20 . 1 1 72 72 TYR N N 70 120.110 120.110 118.089 2.021 17967 7712 1 20 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.675 -0.355 17967 7713 1 20 . 1 1 72 72 TYR CA C 70 60.330 60.330 57.596 2.735 17967 7714 1 20 . 1 1 72 72 TYR CB C 70 40.430 40.430 37.904 2.526 17967 7715 1 20 . 1 1 72 72 TYR H H 70 8.280 8.280 8.206 0.074 17967 7716 1 20 . 1 1 73 73 SER N N 71 117.210 117.210 118.179 -0.969 17967 7717 1 20 . 1 1 73 73 SER HA H 71 4.320 4.320 4.565 -0.245 17967 7718 1 20 . 1 1 73 73 SER CA C 71 60.130 60.130 57.803 2.327 17967 7719 1 20 . 1 1 73 73 SER CB C 71 63.630 63.630 63.961 -0.331 17967 7720 1 20 . 1 1 73 73 SER H H 71 7.870 7.870 8.586 -0.716 17967 7721 1 20 . 1 1 74 74 LYS N N 72 122.810 122.810 122.133 0.677 17967 7722 1 20 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.216 0.054 17967 7723 1 20 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.860 -0.930 17967 7724 1 20 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.735 -0.105 17967 7725 1 20 . 1 1 74 74 LYS H H 72 7.800 7.800 8.472 -0.672 17967 7726 1 20 . 1 1 75 75 ILE N N 73 121.610 121.610 115.574 6.036 17967 7727 1 20 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.416 -0.306 17967 7728 1 20 . 1 1 75 75 ILE CA C 73 61.830 61.830 61.035 0.795 17967 7729 1 20 . 1 1 75 75 ILE CB C 73 38.630 38.630 36.909 1.721 17967 7730 1 20 . 1 1 75 75 ILE H H 73 7.750 7.750 7.904 -0.154 17967 7731 1 20 . 1 1 76 76 SER N N 74 120.410 120.410 122.744 -2.334 17967 7732 1 20 . 1 1 76 76 SER HA H 74 4.300 4.300 4.738 -0.438 17967 7733 1 20 . 1 1 76 76 SER CA C 74 59.330 59.330 59.762 -0.432 17967 7734 1 20 . 1 1 76 76 SER CB C 74 63.830 63.830 65.873 -2.042 17967 7735 1 20 . 1 1 76 76 SER H H 74 8.130 8.130 8.220 -0.090 17967 7736 1 20 . 1 1 77 77 GLU N N 75 123.810 123.810 119.542 4.268 17967 7737 1 20 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.489 -0.299 17967 7738 1 20 . 1 1 77 77 GLU CA C 75 57.330 57.330 55.230 2.100 17967 7739 1 20 . 1 1 77 77 GLU CB C 75 30.130 30.130 29.419 0.711 17967 7740 1 20 . 1 1 77 77 GLU H H 75 8.270 8.270 8.464 -0.194 17967 7741 1 20 . 1 1 78 78 TYR N N 76 122.410 122.410 123.673 -1.263 17967 7742 1 20 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.474 -0.014 17967 7743 1 20 . 1 1 78 78 TYR CA C 76 58.130 58.130 58.668 -0.538 17967 7744 1 20 . 1 1 78 78 TYR CB C 76 38.630 38.630 38.496 0.134 17967 7745 1 20 . 1 1 78 78 TYR H H 76 7.980 7.980 7.915 0.065 17967 7746 1 20 . 1 1 79 79 ARG N N 77 124.710 124.710 127.395 -2.685 17967 7747 1 20 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.725 -0.525 17967 7748 1 20 . 1 1 79 79 ARG CA C 77 56.030 56.030 54.679 1.351 17967 7749 1 20 . 1 1 79 79 ARG CB C 77 31.030 31.030 31.405 -0.375 17967 7750 1 20 . 1 1 79 79 ARG H H 77 7.880 7.880 8.257 -0.377 17967 7751 1 20 . 1 1 80 80 HIS N N 78 122.110 122.110 117.507 4.603 17967 7752 1 20 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.599 -0.089 17967 7753 1 20 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.147 1.183 17967 7754 1 20 . 1 1 80 80 HIS CB C 78 30.830 30.830 29.517 1.313 17967 7755 1 20 . 1 1 80 80 HIS H H 78 8.120 8.120 8.381 -0.261 17967 7756 1 20 . 1 1 81 81 TYR N N 79 123.610 123.610 120.357 3.253 17967 7757 1 20 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.512 0.078 17967 7758 1 20 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.839 -0.009 17967 7759 1 20 . 1 1 81 81 TYR CB C 79 39.130 39.130 38.825 0.305 17967 7760 1 20 . 1 1 81 81 TYR H H 79 7.970 7.970 8.069 -0.099 17967 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 75 3.555 -1.940 2.999 17967 2 1 1 "Average Difference" HA 81 0.292 0.047 0.290 17967 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17967 4 1 1 "Average Difference" CA 80 1.216 -0.286 1.190 17967 5 1 1 "Average Difference" CB 79 1.605 -0.566 1.512 17967 6 1 1 "Average Difference" HN 75 0.612 -0.099 0.608 17967 7 1 2 "Average Difference" N 75 3.403 -2.053 2.732 17967 8 1 2 "Average Difference" HA 81 0.296 0.051 0.294 17967 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17967 10 1 2 "Average Difference" CA 80 1.019 -0.298 0.981 17967 11 1 2 "Average Difference" CB 79 1.602 -0.531 1.521 17967 12 1 2 "Average Difference" HN 75 0.615 -0.090 0.612 17967 13 1 3 "Average Difference" N 75 3.497 -1.876 2.971 17967 14 1 3 "Average Difference" HA 81 0.288 0.047 0.286 17967 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17967 16 1 3 "Average Difference" CA 80 1.170 -0.239 1.152 17967 17 1 3 "Average Difference" CB 79 1.574 -0.541 1.487 17967 18 1 3 "Average Difference" HN 75 0.622 -0.102 0.618 17967 19 1 4 "Average Difference" N 75 3.580 -1.992 2.995 17967 20 1 4 "Average Difference" HA 81 0.297 0.033 0.297 17967 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17967 22 1 4 "Average Difference" CA 80 1.142 -0.231 1.126 17967 23 1 4 "Average Difference" CB 79 1.520 -0.556 1.424 17967 24 1 4 "Average Difference" HN 75 0.574 -0.066 0.574 17967 25 1 5 "Average Difference" N 75 3.626 -2.152 2.938 17967 26 1 5 "Average Difference" HA 81 0.303 0.030 0.304 17967 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17967 28 1 5 "Average Difference" CA 80 1.192 -0.125 1.193 17967 29 1 5 "Average Difference" CB 79 1.604 -0.729 1.439 17967 30 1 5 "Average Difference" HN 75 0.627 -0.046 0.630 17967 31 1 6 "Average Difference" N 75 3.418 -1.877 2.876 17967 32 1 6 "Average Difference" HA 81 0.267 0.037 0.266 17967 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17967 34 1 6 "Average Difference" CA 80 1.110 -0.194 1.100 17967 35 1 6 "Average Difference" CB 79 1.475 -0.595 1.359 17967 36 1 6 "Average Difference" HN 75 0.619 -0.087 0.617 17967 37 1 7 "Average Difference" N 75 3.335 -1.983 2.699 17967 38 1 7 "Average Difference" HA 81 0.330 0.055 0.327 17967 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17967 40 1 7 "Average Difference" CA 80 1.172 -0.217 1.159 17967 41 1 7 "Average Difference" CB 79 1.586 -0.613 1.472 17967 42 1 7 "Average Difference" HN 75 0.622 -0.045 0.625 17967 43 1 8 "Average Difference" N 75 3.533 -1.980 2.946 17967 44 1 8 "Average Difference" HA 81 0.285 0.040 0.284 17967 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17967 46 1 8 "Average Difference" CA 80 1.159 -0.288 1.129 17967 47 1 8 "Average Difference" CB 79 1.588 -0.550 1.500 17967 48 1 8 "Average Difference" HN 75 0.554 -0.104 0.548 17967 49 1 9 "Average Difference" N 75 3.627 -1.922 3.096 17967 50 1 9 "Average Difference" HA 81 0.300 0.057 0.297 17967 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17967 52 1 9 "Average Difference" CA 80 1.176 -0.348 1.131 17967 53 1 9 "Average Difference" CB 79 1.561 -0.514 1.483 17967 54 1 9 "Average Difference" HN 75 0.633 -0.089 0.631 17967 55 1 10 "Average Difference" N 75 3.425 -2.051 2.762 17967 56 1 10 "Average Difference" HA 81 0.286 0.054 0.283 17967 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17967 58 1 10 "Average Difference" CA 80 1.096 -0.361 1.041 17967 59 1 10 "Average Difference" CB 79 1.588 -0.497 1.518 17967 60 1 10 "Average Difference" HN 75 0.594 -0.116 0.586 17967 61 1 11 "Average Difference" N 75 3.444 -1.972 2.843 17967 62 1 11 "Average Difference" HA 81 0.295 0.046 0.293 17967 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17967 64 1 11 "Average Difference" CA 80 1.245 -0.239 1.229 17967 65 1 11 "Average Difference" CB 79 1.516 -0.600 1.401 17967 66 1 11 "Average Difference" HN 75 0.620 -0.100 0.616 17967 67 1 12 "Average Difference" N 75 3.786 -2.117 3.161 17967 68 1 12 "Average Difference" HA 81 0.299 0.051 0.297 17967 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17967 70 1 12 "Average Difference" CA 80 1.256 -0.332 1.219 17967 71 1 12 "Average Difference" CB 79 1.535 -0.505 1.459 17967 72 1 12 "Average Difference" HN 75 0.636 -0.092 0.633 17967 73 1 13 "Average Difference" N 75 3.692 -2.099 3.058 17967 74 1 13 "Average Difference" HA 81 0.282 0.046 0.280 17967 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17967 76 1 13 "Average Difference" CA 80 1.247 -0.181 1.241 17967 77 1 13 "Average Difference" CB 79 1.543 -0.548 1.452 17967 78 1 13 "Average Difference" HN 75 0.570 -0.087 0.567 17967 79 1 14 "Average Difference" N 75 3.609 -2.160 2.910 17967 80 1 14 "Average Difference" HA 81 0.295 0.044 0.294 17967 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17967 82 1 14 "Average Difference" CA 80 1.205 -0.230 1.190 17967 83 1 14 "Average Difference" CB 79 1.561 -0.531 1.477 17967 84 1 14 "Average Difference" HN 75 0.637 -0.072 0.638 17967 85 1 15 "Average Difference" N 75 3.775 -2.163 3.115 17967 86 1 15 "Average Difference" HA 81 0.326 0.043 0.325 17967 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17967 88 1 15 "Average Difference" CA 80 1.297 -0.238 1.283 17967 89 1 15 "Average Difference" CB 79 1.561 -0.625 1.439 17967 90 1 15 "Average Difference" HN 75 0.608 -0.097 0.604 17967 91 1 16 "Average Difference" N 75 3.481 -2.034 2.844 17967 92 1 16 "Average Difference" HA 81 0.314 0.019 0.315 17967 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17967 94 1 16 "Average Difference" CA 80 1.132 -0.250 1.112 17967 95 1 16 "Average Difference" CB 79 1.586 -0.580 1.486 17967 96 1 16 "Average Difference" HN 75 0.627 -0.084 0.626 17967 97 1 17 "Average Difference" N 75 3.784 -2.255 3.059 17967 98 1 17 "Average Difference" HA 81 0.291 0.041 0.290 17967 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17967 100 1 17 "Average Difference" CA 80 1.204 -0.194 1.195 17967 101 1 17 "Average Difference" CB 79 1.506 -0.565 1.405 17967 102 1 17 "Average Difference" HN 75 0.625 -0.085 0.623 17967 103 1 18 "Average Difference" N 75 3.329 -1.852 2.785 17967 104 1 18 "Average Difference" HA 81 0.278 0.038 0.277 17967 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17967 106 1 18 "Average Difference" CA 80 1.173 -0.218 1.160 17967 107 1 18 "Average Difference" CB 79 1.551 -0.638 1.422 17967 108 1 18 "Average Difference" HN 75 0.608 -0.071 0.608 17967 109 1 19 "Average Difference" N 75 3.422 -1.793 2.934 17967 110 1 19 "Average Difference" HA 81 0.290 0.033 0.290 17967 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17967 112 1 19 "Average Difference" CA 80 1.209 -0.272 1.185 17967 113 1 19 "Average Difference" CB 79 1.593 -0.607 1.482 17967 114 1 19 "Average Difference" HN 75 0.601 -0.095 0.597 17967 115 1 20 "Average Difference" N 75 3.519 -1.990 2.921 17967 116 1 20 "Average Difference" HA 81 0.303 0.063 0.298 17967 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17967 118 1 20 "Average Difference" CA 80 1.234 -0.431 1.164 17967 119 1 20 "Average Difference" CB 79 1.586 -0.510 1.511 17967 120 1 20 "Average Difference" HN 75 0.593 -0.100 0.589 17967 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 17967 _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 ALA HA H 0 4.290 4.290 4.239 0.051 17967 2 1 . 1 1 2 2 ALA CA C 0 52.530 52.530 52.553 -0.023 17967 3 1 . 1 1 2 2 ALA CB C 0 19.730 19.730 19.194 0.536 17967 4 1 . 1 1 3 3 MET N N 1 122.210 122.210 120.069 2.141 17967 5 1 . 1 1 3 3 MET HA H 1 4.300 4.300 4.644 -0.343 17967 6 1 . 1 1 3 3 MET CA C 1 56.030 56.030 54.736 1.294 17967 7 1 . 1 1 3 3 MET CB C 1 33.430 33.430 32.699 0.731 17967 8 1 . 1 1 3 3 MET H H 1 8.370 8.370 7.898 0.472 17967 9 1 . 1 1 4 4 PHE N N 2 122.310 122.310 125.046 -2.736 17967 10 1 . 1 1 4 4 PHE HA H 2 4.630 4.630 4.718 -0.087 17967 11 1 . 1 1 4 4 PHE CA C 2 57.330 57.330 56.278 1.052 17967 12 1 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.368 -0.938 17967 13 1 . 1 1 4 4 PHE H H 2 8.370 8.370 8.386 -0.016 17967 14 1 . 1 1 5 5 GLN N N 3 123.510 123.510 122.559 0.951 17967 15 1 . 1 1 5 5 GLN HA H 3 4.180 4.180 4.445 -0.265 17967 16 1 . 1 1 5 5 GLN CA C 3 56.130 56.130 54.493 1.637 17967 17 1 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.496 -0.566 17967 18 1 . 1 1 5 5 GLN H H 3 8.260 8.260 8.374 -0.114 17967 19 1 . 1 1 6 6 ASP N N 4 125.010 125.010 120.395 4.615 17967 20 1 . 1 1 6 6 ASP HA H 4 4.790 4.790 4.664 0.126 17967 21 1 . 1 1 6 6 ASP CA C 4 51.930 51.930 52.180 -0.250 17967 22 1 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.247 0.483 17967 23 1 . 1 1 6 6 ASP H H 4 8.420 8.420 8.426 -0.006 17967 24 1 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.426 -0.306 17967 25 1 . 1 1 7 7 PRO CA C 5 64.030 64.030 63.844 0.186 17967 26 1 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.279 0.051 17967 27 1 . 1 1 8 8 GLN N N 6 119.710 119.710 118.186 1.524 17967 28 1 . 1 1 8 8 GLN HA H 6 4.160 4.160 4.223 -0.063 17967 29 1 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.264 1.366 17967 30 1 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.328 2.002 17967 31 1 . 1 1 8 8 GLN H H 6 8.430 8.430 8.013 0.417 17967 32 1 . 1 1 9 9 GLU N N 7 122.110 122.110 121.115 0.995 17967 33 1 . 1 1 9 9 GLU HA H 7 4.200 4.200 4.007 0.193 17967 34 1 . 1 1 9 9 GLU CA C 7 56.030 56.030 57.247 -1.217 17967 35 1 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.796 0.734 17967 36 1 . 1 1 9 9 GLU H H 7 7.940 7.940 8.262 -0.322 17967 37 1 . 1 1 10 10 ARG N N 8 123.410 123.410 117.620 5.790 17967 38 1 . 1 1 10 10 ARG HA H 8 4.400 4.400 4.405 -0.005 17967 39 1 . 1 1 10 10 ARG CA C 8 54.130 54.130 54.500 -0.370 17967 40 1 . 1 1 10 10 ARG CB C 8 29.330 29.330 29.074 0.257 17967 41 1 . 1 1 10 10 ARG H H 8 7.660 7.660 7.848 -0.189 17967 42 1 . 1 1 11 11 PRO HA H 9 4.350 4.350 4.616 -0.266 17967 43 1 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.522 1.008 17967 44 1 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.036 -0.406 17967 45 1 . 1 1 12 12 ARG N N 10 123.810 123.810 116.990 6.820 17967 46 1 . 1 1 12 12 ARG HA H 10 4.670 4.670 4.727 -0.057 17967 47 1 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.940 0.890 17967 48 1 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.497 1.033 17967 49 1 . 1 1 12 12 ARG H H 10 8.710 8.710 8.695 0.015 17967 50 1 . 1 1 13 13 LYS N N 11 118.410 118.410 119.401 -0.991 17967 51 1 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.774 0.276 17967 52 1 . 1 1 13 13 LYS CA C 11 53.330 53.330 54.456 -1.126 17967 53 1 . 1 1 13 13 LYS CB C 11 35.430 35.430 34.282 1.148 17967 54 1 . 1 1 13 13 LYS H H 11 7.800 7.800 7.697 0.103 17967 55 1 . 1 1 14 14 LEU N N 12 125.010 125.010 126.422 -1.412 17967 56 1 . 1 1 14 14 LEU HA H 12 4.170 4.170 4.206 -0.036 17967 57 1 . 1 1 14 14 LEU CA C 12 59.730 59.730 59.459 0.271 17967 58 1 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.908 0.622 17967 59 1 . 1 1 14 14 LEU H H 12 10.210 10.210 9.212 0.998 17967 60 1 . 1 1 15 15 PRO HA H 13 4.220 4.220 4.259 -0.039 17967 61 1 . 1 1 15 15 PRO CA C 13 67.230 67.230 65.615 1.615 17967 62 1 . 1 1 15 15 PRO CB C 13 30.730 30.730 31.081 -0.351 17967 63 1 . 1 1 16 16 GLN N N 14 117.810 117.810 117.561 0.249 17967 64 1 . 1 1 16 16 GLN HA H 14 4.190 4.190 4.142 0.048 17967 65 1 . 1 1 16 16 GLN CA C 14 59.030 59.030 58.902 0.128 17967 66 1 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.300 0.330 17967 67 1 . 1 1 16 16 GLN H H 14 7.110 7.110 8.363 -1.253 17967 68 1 . 1 1 17 17 LEU N N 15 124.710 124.710 122.187 2.523 17967 69 1 . 1 1 17 17 LEU HA H 15 4.010 4.010 4.176 -0.166 17967 70 1 . 1 1 17 17 LEU CA C 15 58.330 58.330 57.771 0.559 17967 71 1 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.737 0.293 17967 72 1 . 1 1 17 17 LEU H H 15 8.010 8.010 8.091 -0.081 17967 73 1 . 1 1 18 18 CYS N N 16 117.210 117.210 117.125 0.085 17967 74 1 . 1 1 18 18 CYS HA H 16 3.750 3.750 3.998 -0.248 17967 75 1 . 1 1 18 18 CYS CA C 16 64.730 64.730 63.919 0.811 17967 76 1 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.005 0.225 17967 77 1 . 1 1 18 18 CYS H H 16 8.380 8.380 8.471 -0.091 17967 78 1 . 1 1 19 19 THR N N 17 117.810 117.810 115.972 1.838 17967 79 1 . 1 1 19 19 THR HA H 17 4.000 4.000 4.018 -0.018 17967 80 1 . 1 1 19 19 THR CA C 17 66.830 66.830 67.057 -0.227 17967 81 1 . 1 1 19 19 THR CB C 17 68.830 68.830 68.555 0.275 17967 82 1 . 1 1 19 19 THR H H 17 7.720 7.720 7.746 -0.026 17967 83 1 . 1 1 20 20 GLU N N 18 125.410 125.410 120.894 4.516 17967 84 1 . 1 1 20 20 GLU HA H 18 4.070 4.070 4.178 -0.108 17967 85 1 . 1 1 20 20 GLU CA C 18 59.730 59.730 58.883 0.847 17967 86 1 . 1 1 20 20 GLU CB C 18 29.730 29.730 29.517 0.213 17967 87 1 . 1 1 20 20 GLU H H 18 8.010 8.010 7.647 0.363 17967 88 1 . 1 1 21 21 LEU N N 19 118.810 118.810 117.120 1.690 17967 89 1 . 1 1 21 21 LEU HA H 19 4.300 4.300 4.310 -0.010 17967 90 1 . 1 1 21 21 LEU CA C 19 54.830 54.830 55.457 -0.627 17967 91 1 . 1 1 21 21 LEU CB C 19 42.330 42.330 41.879 0.451 17967 92 1 . 1 1 21 21 LEU H H 19 8.010 8.010 8.009 0.001 17967 93 1 . 1 1 22 22 GLN N N 20 118.310 118.310 114.966 3.344 17967 94 1 . 1 1 22 22 GLN HA H 20 3.950 3.950 4.041 -0.091 17967 95 1 . 1 1 22 22 GLN CA C 20 56.730 56.730 57.107 -0.377 17967 96 1 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.280 -0.150 17967 97 1 . 1 1 22 22 GLN H H 20 7.860 7.860 7.739 0.121 17967 98 1 . 1 1 23 23 THR N N 21 115.910 115.910 111.903 4.007 17967 99 1 . 1 1 23 23 THR HA H 21 4.950 4.950 4.587 0.363 17967 100 1 . 1 1 23 23 THR CA C 21 58.530 58.530 59.968 -1.438 17967 101 1 . 1 1 23 23 THR CB C 21 70.330 70.330 70.617 -0.287 17967 102 1 . 1 1 23 23 THR H H 21 8.250 8.250 8.284 -0.034 17967 103 1 . 1 1 24 24 THR N N 22 112.810 112.810 114.213 -1.403 17967 104 1 . 1 1 24 24 THR HA H 22 4.880 4.880 4.614 0.266 17967 105 1 . 1 1 24 24 THR CA C 22 59.730 59.730 60.190 -0.460 17967 106 1 . 1 1 24 24 THR CB C 22 74.130 74.130 71.239 2.891 17967 107 1 . 1 1 24 24 THR H H 22 8.660 8.660 7.874 0.786 17967 108 1 . 1 1 25 25 ILE N N 23 123.710 123.710 120.372 3.338 17967 109 1 . 1 1 25 25 ILE HA H 23 3.780 3.780 3.707 0.073 17967 110 1 . 1 1 25 25 ILE CA C 23 63.430 63.430 64.120 -0.690 17967 111 1 . 1 1 25 25 ILE CB C 23 38.630 38.630 37.870 0.760 17967 112 1 . 1 1 25 25 ILE H H 23 9.060 9.060 8.231 0.829 17967 113 1 . 1 1 26 26 HIS N N 24 119.510 119.510 113.533 5.977 17967 114 1 . 1 1 26 26 HIS HA H 24 4.440 4.440 4.739 -0.299 17967 115 1 . 1 1 26 26 HIS CA C 24 57.030 57.030 55.517 1.513 17967 116 1 . 1 1 26 26 HIS CB C 24 30.830 30.830 29.034 1.795 17967 117 1 . 1 1 26 26 HIS H H 24 7.040 7.040 7.506 -0.466 17967 118 1 . 1 1 27 27 ASP N N 25 116.810 116.810 118.326 -1.516 17967 119 1 . 1 1 27 27 ASP HA H 25 4.760 4.760 4.650 0.110 17967 120 1 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.247 0.183 17967 121 1 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.182 1.149 17967 122 1 . 1 1 27 27 ASP H H 25 7.250 7.250 7.585 -0.335 17967 123 1 . 1 1 28 28 ILE N N 26 123.210 123.210 121.698 1.512 17967 124 1 . 1 1 28 28 ILE HA H 26 3.930 3.930 3.885 0.045 17967 125 1 . 1 1 28 28 ILE CA C 26 63.030 63.030 62.586 0.444 17967 126 1 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.720 -0.790 17967 127 1 . 1 1 28 28 ILE H H 26 7.750 7.750 7.821 -0.071 17967 128 1 . 1 1 29 29 ILE N N 27 131.110 131.110 129.008 2.102 17967 129 1 . 1 1 29 29 ILE HA H 27 4.380 4.380 4.112 0.268 17967 130 1 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.928 -1.098 17967 131 1 . 1 1 29 29 ILE CB C 27 37.630 37.630 36.556 1.074 17967 132 1 . 1 1 29 29 ILE H H 27 8.270 8.270 8.336 -0.066 17967 133 1 . 1 1 30 30 LEU N N 28 129.410 129.410 129.095 0.315 17967 134 1 . 1 1 30 30 LEU HA H 28 4.660 4.660 4.639 0.020 17967 135 1 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.282 -0.753 17967 136 1 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.469 2.861 17967 137 1 . 1 1 30 30 LEU H H 28 8.500 8.500 8.327 0.173 17967 138 1 . 1 1 31 31 GLU N N 29 121.910 121.910 121.126 0.784 17967 139 1 . 1 1 31 31 GLU HA H 29 4.680 4.680 4.768 -0.088 17967 140 1 . 1 1 31 31 GLU CA C 29 53.930 53.930 53.345 0.585 17967 141 1 . 1 1 31 31 GLU CB C 29 33.030 33.030 32.390 0.640 17967 142 1 . 1 1 31 31 GLU H H 29 8.860 8.860 8.234 0.626 17967 143 1 . 1 1 32 32 CYS N N 30 125.710 125.710 119.826 5.884 17967 144 1 . 1 1 32 32 CYS HA H 30 4.020 4.020 4.860 -0.840 17967 145 1 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.783 -1.553 17967 146 1 . 1 1 32 32 CYS CB C 30 31.730 31.730 26.899 4.831 17967 147 1 . 1 1 32 32 CYS H H 30 8.270 8.270 8.528 -0.258 17967 148 1 . 1 1 33 33 VAL N N 31 132.310 132.310 127.415 4.895 17967 149 1 . 1 1 33 33 VAL HA H 31 3.100 3.100 2.985 0.115 17967 150 1 . 1 1 33 33 VAL CA C 31 64.230 64.230 65.142 -0.912 17967 151 1 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.848 -0.218 17967 152 1 . 1 1 33 33 VAL H H 31 8.860 8.860 7.915 0.945 17967 153 1 . 1 1 34 34 TYR N N 32 124.310 124.310 115.913 8.397 17967 154 1 . 1 1 34 34 TYR HA H 32 4.440 4.440 4.538 -0.098 17967 155 1 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.604 1.426 17967 156 1 . 1 1 34 34 TYR CB C 32 40.130 40.130 38.425 1.705 17967 157 1 . 1 1 34 34 TYR H H 32 8.590 8.590 7.249 1.341 17967 158 1 . 1 1 35 35 CYS N N 33 119.810 119.810 115.600 4.210 17967 159 1 . 1 1 35 35 CYS HA H 33 4.840 4.840 4.611 0.229 17967 160 1 . 1 1 35 35 CYS CA C 33 59.430 59.430 58.901 0.529 17967 161 1 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.135 4.094 17967 162 1 . 1 1 35 35 CYS H H 33 8.070 8.070 7.813 0.257 17967 163 1 . 1 1 36 36 LYS N N 34 119.910 119.910 115.957 3.953 17967 164 1 . 1 1 36 36 LYS HA H 34 4.190 4.190 3.958 0.232 17967 165 1 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.087 0.743 17967 166 1 . 1 1 36 36 LYS CB C 34 29.330 29.330 29.979 -0.649 17967 167 1 . 1 1 36 36 LYS H H 34 7.860 7.860 7.970 -0.110 17967 168 1 . 1 1 37 37 GLN N N 35 120.710 120.710 116.321 4.389 17967 169 1 . 1 1 37 37 GLN HA H 35 4.360 4.360 4.452 -0.092 17967 170 1 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.257 1.173 17967 171 1 . 1 1 37 37 GLN CB C 35 29.630 29.630 29.902 -0.272 17967 172 1 . 1 1 37 37 GLN H H 35 8.270 8.270 7.830 0.440 17967 173 1 . 1 1 38 38 GLN N N 36 123.710 123.710 124.004 -0.294 17967 174 1 . 1 1 38 38 GLN HA H 36 4.300 4.300 4.176 0.124 17967 175 1 . 1 1 38 38 GLN CA C 36 56.730 56.730 56.494 0.236 17967 176 1 . 1 1 38 38 GLN CB C 36 29.330 29.330 28.954 0.376 17967 177 1 . 1 1 38 38 GLN H H 36 8.640 8.640 8.589 0.051 17967 178 1 . 1 1 39 39 LEU N N 37 131.310 131.310 126.733 4.577 17967 179 1 . 1 1 39 39 LEU HA H 37 4.110 4.110 4.168 -0.057 17967 180 1 . 1 1 39 39 LEU CA C 37 57.330 57.330 55.505 1.825 17967 181 1 . 1 1 39 39 LEU CB C 37 41.930 41.930 42.467 -0.536 17967 182 1 . 1 1 39 39 LEU H H 37 8.870 8.870 7.897 0.973 17967 183 1 . 1 1 40 40 LEU N N 38 126.310 126.310 124.226 2.084 17967 184 1 . 1 1 40 40 LEU HA H 38 4.310 4.310 4.300 0.010 17967 185 1 . 1 1 40 40 LEU CA C 38 54.230 54.230 54.751 -0.521 17967 186 1 . 1 1 40 40 LEU CB C 38 43.130 43.130 43.079 0.051 17967 187 1 . 1 1 40 40 LEU H H 38 9.850 9.850 8.407 1.443 17967 188 1 . 1 1 41 41 ARG N N 39 127.110 127.110 125.768 1.342 17967 189 1 . 1 1 41 41 ARG HA H 39 3.520 3.520 3.735 -0.215 17967 190 1 . 1 1 41 41 ARG CA C 39 57.830 57.830 59.523 -1.693 17967 191 1 . 1 1 41 41 ARG CB C 39 26.930 26.930 29.588 -2.658 17967 192 1 . 1 1 41 41 ARG H H 39 8.970 8.970 8.876 0.094 17967 193 1 . 1 1 42 42 ARG N N 40 115.810 115.810 118.098 -2.288 17967 194 1 . 1 1 42 42 ARG HA H 40 4.080 4.080 4.261 -0.181 17967 195 1 . 1 1 42 42 ARG CA C 40 59.130 59.130 59.473 -0.343 17967 196 1 . 1 1 42 42 ARG CB C 40 29.330 29.330 29.495 -0.165 17967 197 1 . 1 1 42 42 ARG H H 40 8.610 8.610 8.599 0.011 17967 198 1 . 1 1 43 43 GLU N N 41 119.910 119.910 119.028 0.882 17967 199 1 . 1 1 43 43 GLU HA H 41 4.250 4.250 4.463 -0.213 17967 200 1 . 1 1 43 43 GLU CA C 41 59.030 59.030 58.515 0.515 17967 201 1 . 1 1 43 43 GLU CB C 41 30.330 30.330 29.069 1.261 17967 202 1 . 1 1 43 43 GLU H H 41 6.950 6.950 7.909 -0.959 17967 203 1 . 1 1 44 44 VAL N N 42 125.010 125.010 120.176 4.834 17967 204 1 . 1 1 44 44 VAL HA H 42 3.240 3.240 3.603 -0.363 17967 205 1 . 1 1 44 44 VAL CA C 42 67.630 67.630 66.067 1.563 17967 206 1 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.223 0.107 17967 207 1 . 1 1 44 44 VAL H H 42 7.820 7.820 7.952 -0.132 17967 208 1 . 1 1 45 45 TYR N N 43 118.410 118.410 118.874 -0.464 17967 209 1 . 1 1 45 45 TYR HA H 43 4.430 4.430 4.164 0.266 17967 210 1 . 1 1 45 45 TYR CA C 43 58.830 58.830 60.703 -1.873 17967 211 1 . 1 1 45 45 TYR CB C 43 36.730 36.730 37.326 -0.596 17967 212 1 . 1 1 45 45 TYR H H 43 7.820 7.820 8.056 -0.236 17967 213 1 . 1 1 46 46 ASP N N 44 122.410 122.410 120.041 2.369 17967 214 1 . 1 1 46 46 ASP HA H 44 4.600 4.600 4.338 0.262 17967 215 1 . 1 1 46 46 ASP CA C 44 57.830 57.830 57.949 -0.119 17967 216 1 . 1 1 46 46 ASP CB C 44 41.030 41.030 40.341 0.689 17967 217 1 . 1 1 46 46 ASP H H 44 8.540 8.540 8.064 0.476 17967 218 1 . 1 1 47 47 PHE N N 45 126.210 126.210 119.401 6.809 17967 219 1 . 1 1 47 47 PHE HA H 45 3.910 3.910 4.116 -0.206 17967 220 1 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.925 0.705 17967 221 1 . 1 1 47 47 PHE CB C 45 39.330 39.330 39.118 0.212 17967 222 1 . 1 1 47 47 PHE H H 45 8.320 8.320 7.725 0.595 17967 223 1 . 1 1 48 48 ALA N N 46 119.110 119.110 119.361 -0.251 17967 224 1 . 1 1 48 48 ALA HA H 46 4.520 4.520 4.354 0.166 17967 225 1 . 1 1 48 48 ALA CA C 46 54.230 54.230 53.704 0.526 17967 226 1 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.753 -0.023 17967 227 1 . 1 1 48 48 ALA H H 46 7.740 7.740 7.761 -0.021 17967 228 1 . 1 1 49 49 ARG N N 47 124.010 124.010 117.855 6.155 17967 229 1 . 1 1 49 49 ARG HA H 47 4.050 4.050 4.299 -0.249 17967 230 1 . 1 1 49 49 ARG CA C 47 59.630 59.630 57.283 2.347 17967 231 1 . 1 1 49 49 ARG CB C 47 30.430 30.430 30.454 -0.024 17967 232 1 . 1 1 49 49 ARG H H 47 8.500 8.500 8.285 0.214 17967 233 1 . 1 1 50 50 ARG N N 48 119.110 119.110 118.092 1.018 17967 234 1 . 1 1 50 50 ARG HA H 48 4.010 4.010 4.528 -0.518 17967 235 1 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.799 2.331 17967 236 1 . 1 1 50 50 ARG CB C 48 31.130 31.130 32.011 -0.881 17967 237 1 . 1 1 50 50 ARG H H 48 7.940 7.940 7.819 0.120 17967 238 1 . 1 1 51 51 ASP N N 49 120.910 120.910 119.593 1.317 17967 239 1 . 1 1 51 51 ASP HA H 49 4.420 4.420 4.747 -0.327 17967 240 1 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.703 0.827 17967 241 1 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.615 -0.685 17967 242 1 . 1 1 51 51 ASP H H 49 7.950 7.950 8.404 -0.454 17967 243 1 . 1 1 52 52 LEU N N 50 118.410 118.410 122.132 -3.722 17967 244 1 . 1 1 52 52 LEU HA H 50 4.150 4.150 4.464 -0.315 17967 245 1 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.933 0.297 17967 246 1 . 1 1 52 52 LEU CB C 50 41.130 41.130 43.279 -2.149 17967 247 1 . 1 1 52 52 LEU H H 50 6.640 6.640 7.478 -0.838 17967 248 1 . 1 1 53 53 CYS N N 51 117.410 117.410 117.309 0.101 17967 249 1 . 1 1 53 53 CYS HA H 51 4.930 4.930 5.157 -0.228 17967 250 1 . 1 1 53 53 CYS CA C 51 58.930 58.930 56.196 2.734 17967 251 1 . 1 1 53 53 CYS CB C 51 28.630 28.630 30.325 -1.695 17967 252 1 . 1 1 53 53 CYS H H 51 8.030 8.030 8.102 -0.072 17967 253 1 . 1 1 54 54 ILE N N 52 125.110 125.110 123.054 2.057 17967 254 1 . 1 1 54 54 ILE HA H 52 4.010 4.010 4.345 -0.335 17967 255 1 . 1 1 54 54 ILE CA C 52 59.630 59.630 61.923 -2.293 17967 256 1 . 1 1 54 54 ILE CB C 52 37.330 37.330 38.994 -1.664 17967 257 1 . 1 1 54 54 ILE H H 52 8.500 8.500 8.818 -0.318 17967 258 1 . 1 1 55 55 VAL N N 53 127.010 127.010 122.849 4.161 17967 259 1 . 1 1 55 55 VAL HA H 53 4.370 4.370 4.638 -0.268 17967 260 1 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.267 0.363 17967 261 1 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.540 1.690 17967 262 1 . 1 1 55 55 VAL H H 53 8.130 8.130 8.168 -0.038 17967 263 1 . 1 1 56 56 TYR N N 54 124.910 124.910 126.799 -1.889 17967 264 1 . 1 1 56 56 TYR HA H 54 5.400 5.400 5.271 0.129 17967 265 1 . 1 1 56 56 TYR CA C 54 57.330 57.330 57.562 -0.233 17967 266 1 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.444 1.586 17967 267 1 . 1 1 56 56 TYR H H 54 8.700 8.700 8.657 0.043 17967 268 1 . 1 1 57 57 ARG N N 55 123.810 123.810 125.397 -1.587 17967 269 1 . 1 1 57 57 ARG HA H 55 4.640 4.640 4.396 0.244 17967 270 1 . 1 1 57 57 ARG CA C 55 55.430 55.430 55.767 -0.337 17967 271 1 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.379 2.451 17967 272 1 . 1 1 57 57 ARG H H 55 8.870 8.870 8.418 0.452 17967 273 1 . 1 1 58 58 ASP N N 56 129.110 129.110 125.202 3.908 17967 274 1 . 1 1 58 58 ASP HA H 56 4.310 4.310 4.309 0.001 17967 275 1 . 1 1 58 58 ASP CA C 56 55.830 55.830 56.699 -0.869 17967 276 1 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.211 -0.081 17967 277 1 . 1 1 58 58 ASP H H 56 9.620 9.620 8.986 0.635 17967 278 1 . 1 1 59 59 GLY N N 57 104.510 104.510 107.122 -2.612 17967 279 1 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.217 0.413 17967 280 1 . 1 1 59 59 GLY H H 57 8.720 8.720 8.384 0.336 17967 281 1 . 1 1 60 60 ASN N N 58 122.210 122.210 119.133 3.077 17967 282 1 . 1 1 60 60 ASN HA H 58 5.400 5.400 5.249 0.151 17967 283 1 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.815 -0.485 17967 284 1 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.995 -0.565 17967 285 1 . 1 1 60 60 ASN H H 58 8.120 8.120 7.956 0.164 17967 286 1 . 1 1 61 61 PRO HA H 59 3.790 3.790 3.613 0.177 17967 287 1 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.394 -0.364 17967 288 1 . 1 1 61 61 PRO CB C 59 33.530 33.530 31.236 2.294 17967 289 1 . 1 1 62 62 TYR N N 60 119.810 119.810 122.570 -2.760 17967 290 1 . 1 1 62 62 TYR HA H 60 4.360 4.360 4.528 -0.168 17967 291 1 . 1 1 62 62 TYR CA C 60 58.230 58.230 56.388 1.842 17967 292 1 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.481 0.949 17967 293 1 . 1 1 62 62 TYR H H 60 8.590 8.590 7.643 0.947 17967 294 1 . 1 1 63 63 ALA N N 61 123.810 123.810 121.766 2.044 17967 295 1 . 1 1 63 63 ALA HA H 61 4.420 4.420 4.176 0.244 17967 296 1 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.343 -0.013 17967 297 1 . 1 1 63 63 ALA CB C 61 20.330 20.330 20.707 -0.377 17967 298 1 . 1 1 63 63 ALA H H 61 8.010 8.010 8.808 -0.798 17967 299 1 . 1 1 64 64 VAL N N 62 120.510 120.510 118.016 2.494 17967 300 1 . 1 1 64 64 VAL HA H 62 5.500 5.500 4.287 1.213 17967 301 1 . 1 1 64 64 VAL CA C 62 61.230 61.230 61.373 -0.143 17967 302 1 . 1 1 64 64 VAL CB C 62 36.330 36.330 33.052 3.278 17967 303 1 . 1 1 64 64 VAL H H 62 6.380 6.380 8.407 -2.027 17967 304 1 . 1 1 65 65 CYS N N 63 130.310 130.310 125.462 4.848 17967 305 1 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.428 0.132 17967 306 1 . 1 1 65 65 CYS CA C 63 58.430 58.430 58.355 0.075 17967 307 1 . 1 1 65 65 CYS CB C 63 31.130 31.130 29.145 1.985 17967 308 1 . 1 1 65 65 CYS H H 63 9.430 9.430 8.255 1.175 17967 309 1 . 1 1 66 66 ASP N N 64 121.110 121.110 120.959 0.151 17967 310 1 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.274 0.136 17967 311 1 . 1 1 66 66 ASP CA C 64 58.230 58.230 58.214 0.016 17967 312 1 . 1 1 66 66 ASP CB C 64 42.330 42.330 40.941 1.389 17967 313 1 . 1 1 66 66 ASP H H 64 9.120 9.120 8.808 0.313 17967 314 1 . 1 1 67 67 LYS N N 65 122.110 122.110 119.044 3.066 17967 315 1 . 1 1 67 67 LYS HA H 65 4.010 4.010 3.940 0.070 17967 316 1 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.636 1.494 17967 317 1 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.214 0.617 17967 318 1 . 1 1 67 67 LYS H H 65 8.330 8.330 7.709 0.621 17967 319 1 . 1 1 68 68 CYS N N 66 125.610 125.610 118.967 6.643 17967 320 1 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.213 -0.103 17967 321 1 . 1 1 68 68 CYS CA C 66 63.530 63.530 62.374 1.156 17967 322 1 . 1 1 68 68 CYS CB C 66 30.730 30.730 26.277 4.453 17967 323 1 . 1 1 68 68 CYS H H 66 8.700 8.700 7.634 1.066 17967 324 1 . 1 1 69 69 LEU N N 67 125.310 125.310 121.172 4.138 17967 325 1 . 1 1 69 69 LEU HA H 67 4.000 4.000 4.024 -0.024 17967 326 1 . 1 1 69 69 LEU CA C 67 58.530 58.530 58.372 0.158 17967 327 1 . 1 1 69 69 LEU CB C 67 42.130 42.130 41.802 0.328 17967 328 1 . 1 1 69 69 LEU H H 67 8.470 8.470 8.687 -0.217 17967 329 1 . 1 1 70 70 LYS N N 68 119.010 119.010 117.950 1.060 17967 330 1 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.138 -0.158 17967 331 1 . 1 1 70 70 LYS CA C 68 58.830 58.830 58.401 0.429 17967 332 1 . 1 1 70 70 LYS CB C 68 32.130 32.130 31.824 0.306 17967 333 1 . 1 1 70 70 LYS H H 68 7.810 7.810 7.468 0.342 17967 334 1 . 1 1 71 71 PHE N N 69 121.710 121.710 118.619 3.091 17967 335 1 . 1 1 71 71 PHE HA H 69 4.280 4.280 4.145 0.135 17967 336 1 . 1 1 71 71 PHE CA C 69 59.930 59.930 59.640 0.290 17967 337 1 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.816 0.614 17967 338 1 . 1 1 71 71 PHE H H 69 7.810 7.810 7.357 0.454 17967 339 1 . 1 1 72 72 TYR N N 70 120.110 120.110 116.835 3.275 17967 340 1 . 1 1 72 72 TYR HA H 70 4.320 4.320 4.664 -0.344 17967 341 1 . 1 1 72 72 TYR CA C 70 60.330 60.330 57.883 2.447 17967 342 1 . 1 1 72 72 TYR CB C 70 40.430 40.430 37.594 2.836 17967 343 1 . 1 1 72 72 TYR H H 70 8.280 8.280 8.601 -0.322 17967 344 1 . 1 1 73 73 SER N N 71 117.210 117.210 117.025 0.185 17967 345 1 . 1 1 73 73 SER HA H 71 4.320 4.320 4.383 -0.063 17967 346 1 . 1 1 73 73 SER CA C 71 60.130 60.130 60.334 -0.204 17967 347 1 . 1 1 73 73 SER CB C 71 63.630 63.630 63.422 0.208 17967 348 1 . 1 1 73 73 SER H H 71 7.870 7.870 8.277 -0.407 17967 349 1 . 1 1 74 74 LYS N N 72 122.810 122.810 122.138 0.672 17967 350 1 . 1 1 74 74 LYS HA H 72 4.270 4.270 4.202 0.068 17967 351 1 . 1 1 74 74 LYS CA C 72 56.930 56.930 57.596 -0.666 17967 352 1 . 1 1 74 74 LYS CB C 72 32.630 32.630 32.594 0.036 17967 353 1 . 1 1 74 74 LYS H H 72 7.800 7.800 8.123 -0.323 17967 354 1 . 1 1 75 75 ILE N N 73 121.610 121.610 118.717 2.893 17967 355 1 . 1 1 75 75 ILE HA H 73 4.110 4.110 4.136 -0.026 17967 356 1 . 1 1 75 75 ILE CA C 73 61.830 61.830 62.445 -0.615 17967 357 1 . 1 1 75 75 ILE CB C 73 38.630 38.630 37.460 1.170 17967 358 1 . 1 1 75 75 ILE H H 73 7.750 7.750 7.918 -0.168 17967 359 1 . 1 1 76 76 SER N N 74 120.410 120.410 118.052 2.358 17967 360 1 . 1 1 76 76 SER HA H 74 4.300 4.300 4.528 -0.228 17967 361 1 . 1 1 76 76 SER CA C 74 59.330 59.330 59.681 -0.351 17967 362 1 . 1 1 76 76 SER CB C 74 63.830 63.830 63.999 -0.169 17967 363 1 . 1 1 76 76 SER H H 74 8.130 8.130 8.311 -0.181 17967 364 1 . 1 1 77 77 GLU N N 75 123.810 123.810 121.731 2.079 17967 365 1 . 1 1 77 77 GLU HA H 75 4.190 4.190 4.439 -0.249 17967 366 1 . 1 1 77 77 GLU CA C 75 57.330 57.330 56.309 1.021 17967 367 1 . 1 1 77 77 GLU CB C 75 30.130 30.130 30.150 -0.020 17967 368 1 . 1 1 77 77 GLU H H 75 8.270 8.270 8.200 0.070 17967 369 1 . 1 1 78 78 TYR N N 76 122.410 122.410 122.809 -0.399 17967 370 1 . 1 1 78 78 TYR HA H 76 4.460 4.460 4.543 -0.083 17967 371 1 . 1 1 78 78 TYR CA C 76 58.130 58.130 58.438 -0.308 17967 372 1 . 1 1 78 78 TYR CB C 76 38.630 38.630 39.219 -0.589 17967 373 1 . 1 1 78 78 TYR H H 76 7.980 7.980 8.184 -0.204 17967 374 1 . 1 1 79 79 ARG N N 77 124.710 124.710 125.394 -0.684 17967 375 1 . 1 1 79 79 ARG HA H 77 4.200 4.200 4.676 -0.476 17967 376 1 . 1 1 79 79 ARG CA C 77 56.030 56.030 55.427 0.603 17967 377 1 . 1 1 79 79 ARG CB C 77 31.030 31.030 30.369 0.661 17967 378 1 . 1 1 79 79 ARG H H 77 7.880 7.880 8.526 -0.646 17967 379 1 . 1 1 80 80 HIS N N 78 122.110 122.110 118.843 3.267 17967 380 1 . 1 1 80 80 HIS HA H 78 4.510 4.510 4.611 -0.101 17967 381 1 . 1 1 80 80 HIS CA C 78 56.330 56.330 55.660 0.670 17967 382 1 . 1 1 80 80 HIS CB C 78 30.830 30.830 29.026 1.804 17967 383 1 . 1 1 80 80 HIS H H 78 8.120 8.120 8.305 -0.185 17967 384 1 . 1 1 81 81 TYR N N 79 123.610 123.610 121.414 2.196 17967 385 1 . 1 1 81 81 TYR HA H 79 4.590 4.590 4.466 0.124 17967 386 1 . 1 1 81 81 TYR CA C 79 57.830 57.830 57.735 0.095 17967 387 1 . 1 1 81 81 TYR CB C 79 39.130 39.130 39.125 0.005 17967 388 1 . 1 1 81 81 TYR H H 79 7.970 7.970 7.989 -0.019 17967 stop_ save_