data_17968 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17968 _Entry.PDB_ID 2LJY 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 17968 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 4 4 PHE N N 2 122.310 122.310 123.538 -1.228 17968 2 1 1 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.890 -0.270 17968 3 1 1 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.291 -0.961 17968 4 1 1 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.159 -0.729 17968 5 1 1 . 1 1 4 4 PHE H H 2 8.370 8.370 8.752 -0.382 17968 6 1 1 . 1 1 5 5 GLN N N 3 123.510 123.510 121.871 1.639 17968 7 1 1 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.487 -0.297 17968 8 1 1 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.780 2.250 17968 9 1 1 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.443 -0.513 17968 10 1 1 . 1 1 5 5 GLN H H 3 8.250 8.250 7.764 0.486 17968 11 1 1 . 1 1 6 6 ASP N N 4 125.010 125.010 120.099 4.911 17968 12 1 1 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.572 0.269 17968 13 1 1 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.885 -1.855 17968 14 1 1 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.286 0.444 17968 15 1 1 . 1 1 6 6 ASP H H 4 8.410 8.410 8.411 -0.001 17968 16 1 1 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.450 -0.330 17968 17 1 1 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.394 0.736 17968 18 1 1 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.018 0.312 17968 19 1 1 . 1 1 8 8 GLN N N 6 119.710 119.710 118.447 1.263 17968 20 1 1 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.225 -0.075 17968 21 1 1 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.810 0.820 17968 22 1 1 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.604 0.726 17968 23 1 1 . 1 1 8 8 GLN H H 6 8.430 8.430 7.535 0.895 17968 24 1 1 . 1 1 9 9 GLU N N 7 122.110 122.110 121.733 0.377 17968 25 1 1 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.396 -0.216 17968 26 1 1 . 1 1 9 9 GLU CA C 7 56.130 56.130 54.640 1.490 17968 27 1 1 . 1 1 9 9 GLU CB C 7 30.530 30.530 31.119 -0.589 17968 28 1 1 . 1 1 9 9 GLU H H 7 7.940 7.940 9.397 -1.457 17968 29 1 1 . 1 1 10 10 ARG N N 8 123.410 123.410 117.174 6.236 17968 30 1 1 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.458 -0.048 17968 31 1 1 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.967 -1.837 17968 32 1 1 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.962 1.368 17968 33 1 1 . 1 1 10 10 ARG H H 8 7.670 7.670 8.273 -0.603 17968 34 1 1 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.537 -0.197 17968 35 1 1 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.695 0.835 17968 36 1 1 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.408 0.222 17968 37 1 1 . 1 1 12 12 ARG N N 10 123.810 123.810 120.803 3.007 17968 38 1 1 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.562 0.098 17968 39 1 1 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.483 0.347 17968 40 1 1 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.565 1.965 17968 41 1 1 . 1 1 12 12 ARG H H 10 8.700 8.700 8.818 -0.118 17968 42 1 1 . 1 1 13 13 LYS N N 11 118.310 118.310 117.584 0.726 17968 43 1 1 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.716 0.334 17968 44 1 1 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.930 -0.700 17968 45 1 1 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.383 1.247 17968 46 1 1 . 1 1 13 13 LYS H H 11 7.810 7.810 7.617 0.193 17968 47 1 1 . 1 1 14 14 LEU N N 12 124.810 124.810 127.323 -2.513 17968 48 1 1 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.263 -0.113 17968 49 1 1 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.793 -0.163 17968 50 1 1 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.923 0.607 17968 51 1 1 . 1 1 14 14 LEU H H 12 10.210 10.210 9.169 1.041 17968 52 1 1 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.168 0.002 17968 53 1 1 . 1 1 15 15 PRO CA C 13 67.330 67.330 66.032 1.298 17968 54 1 1 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.996 -0.466 17968 55 1 1 . 1 1 16 16 GLN N N 14 117.710 117.710 117.074 0.636 17968 56 1 1 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.179 -0.019 17968 57 1 1 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.910 0.220 17968 58 1 1 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.356 0.274 17968 59 1 1 . 1 1 16 16 GLN H H 14 7.100 7.100 8.335 -1.235 17968 60 1 1 . 1 1 17 17 LEU N N 15 124.610 124.610 122.248 2.362 17968 61 1 1 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.148 -0.148 17968 62 1 1 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.162 0.468 17968 63 1 1 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.702 0.328 17968 64 1 1 . 1 1 17 17 LEU H H 15 8.020 8.020 8.300 -0.280 17968 65 1 1 . 1 1 18 18 CYS N N 16 117.210 117.210 116.415 0.795 17968 66 1 1 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.133 -0.403 17968 67 1 1 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.081 1.750 17968 68 1 1 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.204 0.026 17968 69 1 1 . 1 1 18 18 CYS H H 16 8.410 8.410 8.010 0.400 17968 70 1 1 . 1 1 19 19 THR N N 17 117.710 117.710 117.541 0.169 17968 71 1 1 . 1 1 19 19 THR HA H 17 3.990 3.990 4.124 -0.134 17968 72 1 1 . 1 1 19 19 THR CA C 17 66.830 66.830 67.013 -0.183 17968 73 1 1 . 1 1 19 19 THR CB C 17 68.830 68.830 68.535 0.295 17968 74 1 1 . 1 1 19 19 THR H H 17 7.670 7.670 7.748 -0.078 17968 75 1 1 . 1 1 20 20 GLU N N 18 125.410 125.410 121.230 4.180 17968 76 1 1 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.207 -0.147 17968 77 1 1 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.178 0.652 17968 78 1 1 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.527 0.103 17968 79 1 1 . 1 1 20 20 GLU H H 18 7.980 7.980 8.061 -0.081 17968 80 1 1 . 1 1 21 21 LEU N N 19 118.810 118.810 117.592 1.218 17968 81 1 1 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.525 -0.235 17968 82 1 1 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.941 -0.011 17968 83 1 1 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.571 -0.341 17968 84 1 1 . 1 1 21 21 LEU H H 19 7.990 7.990 7.616 0.374 17968 85 1 1 . 1 1 22 22 GLN N N 20 118.310 118.310 116.566 1.744 17968 86 1 1 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.120 -0.180 17968 87 1 1 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.156 -0.526 17968 88 1 1 . 1 1 22 22 GLN CB C 20 26.130 26.130 25.851 0.279 17968 89 1 1 . 1 1 22 22 GLN H H 20 7.850 7.850 7.729 0.121 17968 90 1 1 . 1 1 23 23 THR N N 21 115.810 115.810 113.125 2.685 17968 91 1 1 . 1 1 23 23 THR HA H 21 4.920 4.920 4.695 0.225 17968 92 1 1 . 1 1 23 23 THR CA C 21 58.730 58.730 60.121 -1.391 17968 93 1 1 . 1 1 23 23 THR CB C 21 70.330 70.330 70.792 -0.462 17968 94 1 1 . 1 1 23 23 THR H H 21 8.210 8.210 8.540 -0.330 17968 95 1 1 . 1 1 24 24 THR N N 22 112.810 112.810 112.645 0.165 17968 96 1 1 . 1 1 24 24 THR HA H 22 4.860 4.860 4.772 0.088 17968 97 1 1 . 1 1 24 24 THR CA C 22 59.830 59.830 59.812 0.018 17968 98 1 1 . 1 1 24 24 THR CB C 22 74.030 74.030 71.257 2.773 17968 99 1 1 . 1 1 24 24 THR H H 22 8.620 8.620 8.014 0.606 17968 100 1 1 . 1 1 25 25 ILE N N 23 124.310 124.310 119.415 4.895 17968 101 1 1 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.840 -0.180 17968 102 1 1 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.245 -0.515 17968 103 1 1 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.797 0.433 17968 104 1 1 . 1 1 25 25 ILE H H 23 9.020 9.020 8.595 0.425 17968 105 1 1 . 1 1 26 26 HIS N N 24 119.210 119.210 114.667 4.543 17968 106 1 1 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.977 -0.597 17968 107 1 1 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.799 -1.369 17968 108 1 1 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.689 1.041 17968 109 1 1 . 1 1 26 26 HIS H H 24 6.870 6.870 8.034 -1.164 17968 110 1 1 . 1 1 27 27 ASP N N 25 116.510 116.510 119.042 -2.532 17968 111 1 1 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.708 0.042 17968 112 1 1 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.398 0.032 17968 113 1 1 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.124 1.206 17968 114 1 1 . 1 1 27 27 ASP H H 25 7.220 7.220 7.670 -0.450 17968 115 1 1 . 1 1 28 28 ILE N N 26 123.310 123.310 122.499 0.811 17968 116 1 1 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.958 -0.058 17968 117 1 1 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.339 0.791 17968 118 1 1 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.451 -0.521 17968 119 1 1 . 1 1 28 28 ILE H H 26 7.690 7.690 7.729 -0.039 17968 120 1 1 . 1 1 29 29 ILE N N 27 130.910 130.910 128.276 2.634 17968 121 1 1 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.189 0.171 17968 122 1 1 . 1 1 29 29 ILE CA C 27 58.830 58.830 58.968 -0.138 17968 123 1 1 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.747 -0.017 17968 124 1 1 . 1 1 29 29 ILE H H 27 8.230 8.230 8.112 0.118 17968 125 1 1 . 1 1 30 30 LEU N N 28 129.310 129.310 127.852 1.458 17968 126 1 1 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.444 0.206 17968 127 1 1 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.757 -1.227 17968 128 1 1 . 1 1 30 30 LEU CB C 28 48.330 48.330 43.903 4.427 17968 129 1 1 . 1 1 30 30 LEU H H 28 8.450 8.450 8.537 -0.087 17968 130 1 1 . 1 1 31 31 GLU N N 29 121.810 121.810 117.789 4.021 17968 131 1 1 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.969 -0.309 17968 132 1 1 . 1 1 31 31 GLU CA C 29 53.730 53.730 54.190 -0.459 17968 133 1 1 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.680 0.250 17968 134 1 1 . 1 1 31 31 GLU H H 29 8.820 8.820 8.384 0.436 17968 135 1 1 . 1 1 32 32 CYS N N 30 125.510 125.510 121.778 3.732 17968 136 1 1 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.509 -1.479 17968 137 1 1 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.080 -0.850 17968 138 1 1 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.324 3.506 17968 139 1 1 . 1 1 32 32 CYS H H 30 8.240 8.240 8.863 -0.623 17968 140 1 1 . 1 1 33 33 VAL N N 31 132.310 132.310 126.673 5.637 17968 141 1 1 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.400 -0.320 17968 142 1 1 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.383 -0.053 17968 143 1 1 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.021 -0.391 17968 144 1 1 . 1 1 33 33 VAL H H 31 8.880 8.880 8.184 0.696 17968 145 1 1 . 1 1 34 34 TYR N N 32 124.210 124.210 116.395 7.815 17968 146 1 1 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.490 -0.040 17968 147 1 1 . 1 1 34 34 TYR CA C 32 61.030 61.030 61.155 -0.125 17968 148 1 1 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.974 1.056 17968 149 1 1 . 1 1 34 34 TYR H H 32 8.620 8.620 7.521 1.099 17968 150 1 1 . 1 1 35 35 CYS N N 33 119.810 119.810 112.107 7.703 17968 151 1 1 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.713 0.087 17968 152 1 1 . 1 1 35 35 CYS CA C 33 59.330 59.330 57.628 1.702 17968 153 1 1 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.636 4.594 17968 154 1 1 . 1 1 35 35 CYS H H 33 8.090 8.090 7.849 0.241 17968 155 1 1 . 1 1 36 36 LYS N N 34 119.810 119.810 117.277 2.533 17968 156 1 1 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.205 -0.045 17968 157 1 1 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.247 0.583 17968 158 1 1 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.241 -1.011 17968 159 1 1 . 1 1 36 36 LYS H H 34 7.870 7.870 8.307 -0.437 17968 160 1 1 . 1 1 37 37 GLN N N 35 120.610 120.610 118.225 2.385 17968 161 1 1 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.449 -0.079 17968 162 1 1 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.040 0.390 17968 163 1 1 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.993 -0.263 17968 164 1 1 . 1 1 37 37 GLN H H 35 8.250 8.250 8.037 0.213 17968 165 1 1 . 1 1 38 38 GLN N N 36 123.610 123.610 120.917 2.693 17968 166 1 1 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.268 0.092 17968 167 1 1 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.170 0.660 17968 168 1 1 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.033 0.397 17968 169 1 1 . 1 1 38 38 GLN H H 36 8.630 8.630 8.531 0.099 17968 170 1 1 . 1 1 39 39 LEU N N 37 131.410 131.410 126.098 5.312 17968 171 1 1 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.284 -0.184 17968 172 1 1 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.390 2.840 17968 173 1 1 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.435 -0.305 17968 174 1 1 . 1 1 39 39 LEU H H 37 8.830 8.830 8.613 0.217 17968 175 1 1 . 1 1 40 40 LEU N N 38 126.410 126.410 124.861 1.549 17968 176 1 1 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.190 0.100 17968 177 1 1 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.898 -0.568 17968 178 1 1 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.964 -0.034 17968 179 1 1 . 1 1 40 40 LEU H H 38 9.780 9.780 8.589 1.191 17968 180 1 1 . 1 1 41 41 ARG N N 39 126.610 126.610 125.333 1.277 17968 181 1 1 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.610 -0.160 17968 182 1 1 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.186 -1.256 17968 183 1 1 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.474 -2.444 17968 184 1 1 . 1 1 41 41 ARG H H 39 8.880 8.880 8.661 0.219 17968 185 1 1 . 1 1 42 42 ARG N N 40 116.410 116.410 118.530 -2.120 17968 186 1 1 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.941 0.059 17968 187 1 1 . 1 1 42 42 ARG CA C 40 58.530 58.530 58.770 -0.240 17968 188 1 1 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.721 3.109 17968 189 1 1 . 1 1 42 42 ARG H H 40 8.590 8.590 8.398 0.192 17968 190 1 1 . 1 1 43 43 GLU N N 41 117.710 117.710 116.464 1.246 17968 191 1 1 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.238 0.022 17968 192 1 1 . 1 1 43 43 GLU CA C 41 58.930 58.930 57.632 1.298 17968 193 1 1 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.602 0.928 17968 194 1 1 . 1 1 43 43 GLU H H 41 6.800 6.800 7.705 -0.905 17968 195 1 1 . 1 1 44 44 VAL N N 42 124.710 124.710 121.422 3.288 17968 196 1 1 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.538 -0.358 17968 197 1 1 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.119 1.411 17968 198 1 1 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.384 -0.054 17968 199 1 1 . 1 1 44 44 VAL H H 42 7.760 7.760 7.803 -0.043 17968 200 1 1 . 1 1 45 45 TYR N N 43 118.310 118.310 118.123 0.187 17968 201 1 1 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.273 -0.083 17968 202 1 1 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.406 0.724 17968 203 1 1 . 1 1 45 45 TYR CB C 43 38.730 38.730 36.595 2.135 17968 204 1 1 . 1 1 45 45 TYR H H 43 7.600 7.600 7.352 0.248 17968 205 1 1 . 1 1 46 46 ASP N N 44 120.910 120.910 120.458 0.452 17968 206 1 1 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.544 0.166 17968 207 1 1 . 1 1 46 46 ASP CA C 44 58.030 58.030 56.956 1.074 17968 208 1 1 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.404 0.426 17968 209 1 1 . 1 1 46 46 ASP H H 44 8.660 8.660 7.891 0.769 17968 210 1 1 . 1 1 47 47 PHE N N 45 125.310 125.310 119.665 5.645 17968 211 1 1 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.253 -0.323 17968 212 1 1 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.730 0.900 17968 213 1 1 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.221 -0.191 17968 214 1 1 . 1 1 47 47 PHE H H 45 8.250 8.250 7.945 0.305 17968 215 1 1 . 1 1 48 48 ALA N N 46 119.710 119.710 120.675 -0.965 17968 216 1 1 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.239 0.261 17968 217 1 1 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.585 0.545 17968 218 1 1 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.686 0.044 17968 219 1 1 . 1 1 48 48 ALA H H 46 7.790 7.790 7.452 0.338 17968 220 1 1 . 1 1 49 49 PHE N N 47 123.210 123.210 118.936 4.274 17968 221 1 1 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.323 0.227 17968 222 1 1 . 1 1 49 49 PHE CA C 47 60.530 60.530 61.218 -0.688 17968 223 1 1 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.857 -0.827 17968 224 1 1 . 1 1 49 49 PHE H H 47 9.040 9.040 8.128 0.912 17968 225 1 1 . 1 1 50 50 ARG N N 48 119.810 119.810 117.967 1.843 17968 226 1 1 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.484 -0.434 17968 227 1 1 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.664 2.466 17968 228 1 1 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.511 -0.481 17968 229 1 1 . 1 1 50 50 ARG H H 48 8.100 8.100 8.006 0.094 17968 230 1 1 . 1 1 51 51 ASP N N 49 120.910 120.910 120.538 0.372 17968 231 1 1 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.623 -0.173 17968 232 1 1 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.222 0.308 17968 233 1 1 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.373 -0.443 17968 234 1 1 . 1 1 51 51 ASP H H 49 8.010 8.010 8.558 -0.548 17968 235 1 1 . 1 1 52 52 LEU N N 50 118.510 118.510 125.020 -6.510 17968 236 1 1 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.464 -0.294 17968 237 1 1 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.932 0.298 17968 238 1 1 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.836 -3.606 17968 239 1 1 . 1 1 52 52 LEU H H 50 6.720 6.720 7.668 -0.948 17968 240 1 1 . 1 1 53 53 CYS N N 51 117.410 117.410 118.586 -1.176 17968 241 1 1 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.769 0.141 17968 242 1 1 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.150 2.580 17968 243 1 1 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.091 -1.361 17968 244 1 1 . 1 1 53 53 CYS H H 51 8.030 8.030 8.191 -0.161 17968 245 1 1 . 1 1 54 54 ILE N N 52 125.110 125.110 122.742 2.368 17968 246 1 1 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.376 -0.386 17968 247 1 1 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.983 -2.053 17968 248 1 1 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.156 -0.425 17968 249 1 1 . 1 1 54 54 ILE H H 52 8.450 8.450 8.495 -0.045 17968 250 1 1 . 1 1 55 55 VAL N N 53 127.010 127.010 128.670 -1.660 17968 251 1 1 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.233 0.117 17968 252 1 1 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.823 -1.193 17968 253 1 1 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.490 1.740 17968 254 1 1 . 1 1 55 55 VAL H H 53 8.120 8.120 8.273 -0.153 17968 255 1 1 . 1 1 56 56 TYR N N 54 125.010 125.010 128.733 -3.723 17968 256 1 1 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.070 0.310 17968 257 1 1 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.884 -0.454 17968 258 1 1 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.823 2.207 17968 259 1 1 . 1 1 56 56 TYR H H 54 8.710 8.710 8.870 -0.160 17968 260 1 1 . 1 1 57 57 ARG N N 55 123.810 123.810 126.476 -2.666 17968 261 1 1 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.272 0.358 17968 262 1 1 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.538 -0.208 17968 263 1 1 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.113 2.717 17968 264 1 1 . 1 1 57 57 ARG H H 55 8.860 8.860 8.329 0.531 17968 265 1 1 . 1 1 58 58 ASP N N 56 129.110 129.110 125.995 3.115 17968 266 1 1 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.291 0.009 17968 267 1 1 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.266 -0.536 17968 268 1 1 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.200 -0.070 17968 269 1 1 . 1 1 58 58 ASP H H 56 9.630 9.630 8.851 0.779 17968 270 1 1 . 1 1 59 59 GLY N N 57 104.510 104.510 106.970 -2.460 17968 271 1 1 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.347 0.283 17968 272 1 1 . 1 1 59 59 GLY H H 57 8.710 8.710 8.537 0.173 17968 273 1 1 . 1 1 60 60 ASN N N 58 122.110 122.110 118.832 3.278 17968 274 1 1 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.208 0.172 17968 275 1 1 . 1 1 60 60 ASN CA C 58 50.330 50.330 51.133 -0.803 17968 276 1 1 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.995 -1.565 17968 277 1 1 . 1 1 60 60 ASN H H 58 8.130 8.130 8.002 0.128 17968 278 1 1 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.464 0.306 17968 279 1 1 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.601 -0.571 17968 280 1 1 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.088 2.342 17968 281 1 1 . 1 1 62 62 TYR N N 60 119.910 119.910 123.958 -4.048 17968 282 1 1 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.671 -0.321 17968 283 1 1 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.814 1.316 17968 284 1 1 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.834 0.596 17968 285 1 1 . 1 1 62 62 TYR H H 60 8.580 8.580 8.380 0.200 17968 286 1 1 . 1 1 63 63 ALA N N 61 123.710 123.710 119.630 4.080 17968 287 1 1 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.695 -0.315 17968 288 1 1 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.245 0.085 17968 289 1 1 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.898 -1.668 17968 290 1 1 . 1 1 63 63 ALA H H 61 7.980 7.980 8.960 -0.980 17968 291 1 1 . 1 1 64 64 VAL N N 62 120.610 120.610 119.290 1.320 17968 292 1 1 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.358 1.122 17968 293 1 1 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.529 -0.199 17968 294 1 1 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.529 3.701 17968 295 1 1 . 1 1 64 64 VAL H H 62 6.330 6.330 8.585 -2.255 17968 296 1 1 . 1 1 65 65 CYS N N 63 130.310 130.310 125.125 5.185 17968 297 1 1 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.582 -0.022 17968 298 1 1 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.323 1.107 17968 299 1 1 . 1 1 65 65 CYS CB C 63 31.030 31.030 28.868 2.162 17968 300 1 1 . 1 1 65 65 CYS H H 63 9.420 9.420 8.699 0.721 17968 301 1 1 . 1 1 66 66 ASP N N 64 121.110 121.110 120.640 0.470 17968 302 1 1 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.300 0.110 17968 303 1 1 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.191 1.239 17968 304 1 1 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.104 1.426 17968 305 1 1 . 1 1 66 66 ASP H H 64 9.040 9.040 8.812 0.228 17968 306 1 1 . 1 1 67 67 LYS N N 65 121.910 121.910 118.758 3.152 17968 307 1 1 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.106 -0.116 17968 308 1 1 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.889 1.241 17968 309 1 1 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.352 0.478 17968 310 1 1 . 1 1 67 67 LYS H H 65 8.330 8.330 8.000 0.330 17968 311 1 1 . 1 1 68 68 CYS N N 66 125.510 125.510 118.993 6.517 17968 312 1 1 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.079 0.031 17968 313 1 1 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.017 2.713 17968 314 1 1 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.889 4.741 17968 315 1 1 . 1 1 68 68 CYS H H 66 8.690 8.690 7.645 1.045 17968 316 1 1 . 1 1 69 69 LEU N N 67 125.110 125.110 121.298 3.812 17968 317 1 1 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.068 -0.038 17968 318 1 1 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.038 0.592 17968 319 1 1 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.081 0.149 17968 320 1 1 . 1 1 69 69 LEU H H 67 8.460 8.460 8.164 0.296 17968 321 1 1 . 1 1 70 70 LYS N N 68 119.210 119.210 116.999 2.211 17968 322 1 1 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.121 -0.141 17968 323 1 1 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.190 0.840 17968 324 1 1 . 1 1 70 70 LYS CB C 68 32.230 32.230 31.979 0.251 17968 325 1 1 . 1 1 70 70 LYS H H 68 7.830 7.830 7.594 0.236 17968 326 1 1 . 1 1 71 71 PHE N N 69 121.710 121.710 118.478 3.232 17968 327 1 1 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.253 0.017 17968 328 1 1 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.659 0.471 17968 329 1 1 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.240 0.190 17968 330 1 1 . 1 1 71 71 PHE H H 69 7.810 7.810 7.604 0.206 17968 331 1 2 . 1 1 4 4 PHE N N 2 122.310 122.310 123.394 -1.084 17968 332 1 2 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.664 -0.044 17968 333 1 2 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.432 -1.103 17968 334 1 2 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.259 -0.829 17968 335 1 2 . 1 1 4 4 PHE H H 2 8.370 8.370 8.488 -0.118 17968 336 1 2 . 1 1 5 5 GLN N N 3 123.510 123.510 123.618 -0.108 17968 337 1 2 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.503 -0.313 17968 338 1 2 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.506 1.524 17968 339 1 2 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.018 -0.088 17968 340 1 2 . 1 1 5 5 GLN H H 3 8.250 8.250 8.016 0.234 17968 341 1 2 . 1 1 6 6 ASP N N 4 125.010 125.010 117.690 7.320 17968 342 1 2 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.968 -0.128 17968 343 1 2 . 1 1 6 6 ASP CA C 4 52.030 52.030 51.749 0.280 17968 344 1 2 . 1 1 6 6 ASP CB C 4 41.730 41.730 42.422 -0.692 17968 345 1 2 . 1 1 6 6 ASP H H 4 8.410 8.410 8.236 0.174 17968 346 1 2 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.642 -0.522 17968 347 1 2 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.500 0.630 17968 348 1 2 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.367 -0.037 17968 349 1 2 . 1 1 8 8 GLN N N 6 119.710 119.710 114.363 5.347 17968 350 1 2 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.016 0.134 17968 351 1 2 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.910 -0.280 17968 352 1 2 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.897 1.433 17968 353 1 2 . 1 1 8 8 GLN H H 6 8.430 8.430 8.376 0.054 17968 354 1 2 . 1 1 9 9 GLU N N 7 122.110 122.110 117.026 5.084 17968 355 1 2 . 1 1 9 9 GLU HA H 7 4.180 4.180 3.820 0.360 17968 356 1 2 . 1 1 9 9 GLU CA C 7 56.130 56.130 58.237 -2.107 17968 357 1 2 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.047 1.483 17968 358 1 2 . 1 1 9 9 GLU H H 7 7.940 7.940 8.720 -0.780 17968 359 1 2 . 1 1 10 10 ARG N N 8 123.410 123.410 116.403 7.007 17968 360 1 2 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.142 0.268 17968 361 1 2 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.525 -1.395 17968 362 1 2 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.367 0.963 17968 363 1 2 . 1 1 10 10 ARG H H 8 7.670 7.670 8.207 -0.537 17968 364 1 2 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.415 -0.075 17968 365 1 2 . 1 1 11 11 PRO CA C 9 63.530 63.530 63.137 0.393 17968 366 1 2 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.645 -0.015 17968 367 1 2 . 1 1 12 12 ARG N N 10 123.810 123.810 121.421 2.389 17968 368 1 2 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.563 0.097 17968 369 1 2 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.098 1.732 17968 370 1 2 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.060 2.470 17968 371 1 2 . 1 1 12 12 ARG H H 10 8.700 8.700 8.786 -0.086 17968 372 1 2 . 1 1 13 13 LYS N N 11 118.310 118.310 119.083 -0.773 17968 373 1 2 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.747 0.303 17968 374 1 2 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.702 -0.472 17968 375 1 2 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.931 1.699 17968 376 1 2 . 1 1 13 13 LYS H H 11 7.810 7.810 7.542 0.268 17968 377 1 2 . 1 1 14 14 LEU N N 12 124.810 124.810 128.161 -3.351 17968 378 1 2 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.270 -0.120 17968 379 1 2 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.623 0.007 17968 380 1 2 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.848 0.682 17968 381 1 2 . 1 1 14 14 LEU H H 12 10.210 10.210 9.274 0.936 17968 382 1 2 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.205 -0.035 17968 383 1 2 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.600 1.730 17968 384 1 2 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.985 -0.455 17968 385 1 2 . 1 1 16 16 GLN N N 14 117.710 117.710 115.950 1.760 17968 386 1 2 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.276 -0.116 17968 387 1 2 . 1 1 16 16 GLN CA C 14 59.130 59.130 56.696 2.434 17968 388 1 2 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.291 0.339 17968 389 1 2 . 1 1 16 16 GLN H H 14 7.100 7.100 7.682 -0.582 17968 390 1 2 . 1 1 17 17 LEU N N 15 124.610 124.610 122.959 1.651 17968 391 1 2 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.184 -0.183 17968 392 1 2 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.700 0.930 17968 393 1 2 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.692 0.338 17968 394 1 2 . 1 1 17 17 LEU H H 15 8.020 8.020 8.133 -0.113 17968 395 1 2 . 1 1 18 18 CYS N N 16 117.210 117.210 116.245 0.965 17968 396 1 2 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.077 -0.347 17968 397 1 2 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.476 1.354 17968 398 1 2 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.129 0.101 17968 399 1 2 . 1 1 18 18 CYS H H 16 8.410 8.410 8.159 0.251 17968 400 1 2 . 1 1 19 19 THR N N 17 117.710 117.710 114.720 2.990 17968 401 1 2 . 1 1 19 19 THR HA H 17 3.990 3.990 4.087 -0.097 17968 402 1 2 . 1 1 19 19 THR CA C 17 66.830 66.830 66.005 0.825 17968 403 1 2 . 1 1 19 19 THR CB C 17 68.830 68.830 68.431 0.399 17968 404 1 2 . 1 1 19 19 THR H H 17 7.670 7.670 7.578 0.092 17968 405 1 2 . 1 1 20 20 GLU N N 18 125.410 125.410 121.181 4.229 17968 406 1 2 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.222 -0.162 17968 407 1 2 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.702 1.128 17968 408 1 2 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.468 0.162 17968 409 1 2 . 1 1 20 20 GLU H H 18 7.980 7.980 7.549 0.431 17968 410 1 2 . 1 1 21 21 LEU N N 19 118.810 118.810 117.745 1.065 17968 411 1 2 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.262 0.028 17968 412 1 2 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.058 -0.128 17968 413 1 2 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.190 0.040 17968 414 1 2 . 1 1 21 21 LEU H H 19 7.990 7.990 7.756 0.234 17968 415 1 2 . 1 1 22 22 GLN N N 20 118.310 118.310 116.328 1.982 17968 416 1 2 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.009 -0.069 17968 417 1 2 . 1 1 22 22 GLN CA C 20 56.630 56.630 56.955 -0.325 17968 418 1 2 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.246 -0.116 17968 419 1 2 . 1 1 22 22 GLN H H 20 7.850 7.850 7.452 0.398 17968 420 1 2 . 1 1 23 23 THR N N 21 115.810 115.810 113.273 2.537 17968 421 1 2 . 1 1 23 23 THR HA H 21 4.920 4.920 4.759 0.161 17968 422 1 2 . 1 1 23 23 THR CA C 21 58.730 58.730 60.905 -2.175 17968 423 1 2 . 1 1 23 23 THR CB C 21 70.330 70.330 70.298 0.032 17968 424 1 2 . 1 1 23 23 THR H H 21 8.210 8.210 8.452 -0.242 17968 425 1 2 . 1 1 24 24 THR N N 22 112.810 112.810 112.474 0.336 17968 426 1 2 . 1 1 24 24 THR HA H 22 4.860 4.860 4.799 0.061 17968 427 1 2 . 1 1 24 24 THR CA C 22 59.830 59.830 60.462 -0.632 17968 428 1 2 . 1 1 24 24 THR CB C 22 74.030 74.030 70.397 3.633 17968 429 1 2 . 1 1 24 24 THR H H 22 8.620 8.620 8.083 0.537 17968 430 1 2 . 1 1 25 25 ILE N N 23 124.310 124.310 117.819 6.491 17968 431 1 2 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.898 -0.238 17968 432 1 2 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.715 0.014 17968 433 1 2 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.588 0.642 17968 434 1 2 . 1 1 25 25 ILE H H 23 9.020 9.020 8.365 0.655 17968 435 1 2 . 1 1 26 26 HIS N N 24 119.210 119.210 112.984 6.226 17968 436 1 2 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.747 -0.367 17968 437 1 2 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.350 0.080 17968 438 1 2 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.579 0.151 17968 439 1 2 . 1 1 26 26 HIS H H 24 6.870 6.870 7.446 -0.576 17968 440 1 2 . 1 1 27 27 ASP N N 25 116.510 116.510 118.494 -1.984 17968 441 1 2 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.720 0.030 17968 442 1 2 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.889 0.541 17968 443 1 2 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.333 0.997 17968 444 1 2 . 1 1 27 27 ASP H H 25 7.220 7.220 7.647 -0.427 17968 445 1 2 . 1 1 28 28 ILE N N 26 123.310 123.310 120.647 2.663 17968 446 1 2 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.122 -0.222 17968 447 1 2 . 1 1 28 28 ILE CA C 26 63.130 63.130 61.883 1.247 17968 448 1 2 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.471 -0.541 17968 449 1 2 . 1 1 28 28 ILE H H 26 7.690 7.690 7.629 0.061 17968 450 1 2 . 1 1 29 29 ILE N N 27 130.910 130.910 130.403 0.507 17968 451 1 2 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.105 0.255 17968 452 1 2 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.260 -0.430 17968 453 1 2 . 1 1 29 29 ILE CB C 27 37.730 37.730 35.562 2.168 17968 454 1 2 . 1 1 29 29 ILE H H 27 8.230 8.230 8.321 -0.091 17968 455 1 2 . 1 1 30 30 LEU N N 28 129.310 129.310 128.617 0.693 17968 456 1 2 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.497 0.153 17968 457 1 2 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.286 -0.756 17968 458 1 2 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.006 3.324 17968 459 1 2 . 1 1 30 30 LEU H H 28 8.450 8.450 7.925 0.525 17968 460 1 2 . 1 1 31 31 GLU N N 29 121.810 121.810 120.602 1.208 17968 461 1 2 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.110 -0.450 17968 462 1 2 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.361 0.369 17968 463 1 2 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.659 1.271 17968 464 1 2 . 1 1 31 31 GLU H H 29 8.820 8.820 8.345 0.475 17968 465 1 2 . 1 1 32 32 CYS N N 30 125.510 125.510 121.965 3.545 17968 466 1 2 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.105 -1.075 17968 467 1 2 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.193 -0.963 17968 468 1 2 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.123 3.707 17968 469 1 2 . 1 1 32 32 CYS H H 30 8.240 8.240 8.783 -0.543 17968 470 1 2 . 1 1 33 33 VAL N N 31 132.310 132.310 126.886 5.424 17968 471 1 2 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.303 -0.223 17968 472 1 2 . 1 1 33 33 VAL CA C 31 64.330 64.330 65.632 -1.302 17968 473 1 2 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.961 -0.331 17968 474 1 2 . 1 1 33 33 VAL H H 31 8.880 8.880 8.687 0.193 17968 475 1 2 . 1 1 34 34 TYR N N 32 124.210 124.210 116.533 7.677 17968 476 1 2 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.447 0.003 17968 477 1 2 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.451 0.579 17968 478 1 2 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.255 0.775 17968 479 1 2 . 1 1 34 34 TYR H H 32 8.620 8.620 7.440 1.180 17968 480 1 2 . 1 1 35 35 CYS N N 33 119.810 119.810 115.741 4.069 17968 481 1 2 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.378 0.422 17968 482 1 2 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.212 0.118 17968 483 1 2 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.738 4.492 17968 484 1 2 . 1 1 35 35 CYS H H 33 8.090 8.090 7.732 0.358 17968 485 1 2 . 1 1 36 36 LYS N N 34 119.810 119.810 115.945 3.865 17968 486 1 2 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.234 -0.074 17968 487 1 2 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.187 0.643 17968 488 1 2 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.652 -1.422 17968 489 1 2 . 1 1 36 36 LYS H H 34 7.870 7.870 7.806 0.064 17968 490 1 2 . 1 1 37 37 GLN N N 35 120.610 120.610 115.359 5.251 17968 491 1 2 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.481 -0.111 17968 492 1 2 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.995 0.435 17968 493 1 2 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.897 -0.167 17968 494 1 2 . 1 1 37 37 GLN H H 35 8.250 8.250 7.850 0.400 17968 495 1 2 . 1 1 38 38 GLN N N 36 123.610 123.610 121.529 2.081 17968 496 1 2 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.375 -0.015 17968 497 1 2 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.112 0.718 17968 498 1 2 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.950 0.480 17968 499 1 2 . 1 1 38 38 GLN H H 36 8.630 8.630 8.484 0.146 17968 500 1 2 . 1 1 39 39 LEU N N 37 131.410 131.410 127.193 4.217 17968 501 1 2 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.245 -0.145 17968 502 1 2 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.186 2.044 17968 503 1 2 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.585 -0.455 17968 504 1 2 . 1 1 39 39 LEU H H 37 8.830 8.830 8.678 0.152 17968 505 1 2 . 1 1 40 40 LEU N N 38 126.410 126.410 122.101 4.309 17968 506 1 2 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.388 -0.098 17968 507 1 2 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.361 -0.030 17968 508 1 2 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.553 0.377 17968 509 1 2 . 1 1 40 40 LEU H H 38 9.780 9.780 8.288 1.492 17968 510 1 2 . 1 1 41 41 ARG N N 39 126.610 126.610 120.531 6.079 17968 511 1 2 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.710 -0.260 17968 512 1 2 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.639 -0.709 17968 513 1 2 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.657 -2.627 17968 514 1 2 . 1 1 41 41 ARG H H 39 8.880 8.880 8.656 0.224 17968 515 1 2 . 1 1 42 42 ARG N N 40 116.410 116.410 119.962 -3.552 17968 516 1 2 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.988 0.012 17968 517 1 2 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.298 -0.769 17968 518 1 2 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.847 2.983 17968 519 1 2 . 1 1 42 42 ARG H H 40 8.590 8.590 8.440 0.150 17968 520 1 2 . 1 1 43 43 GLU N N 41 117.710 117.710 118.800 -1.090 17968 521 1 2 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.188 0.072 17968 522 1 2 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.922 0.008 17968 523 1 2 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.884 1.646 17968 524 1 2 . 1 1 43 43 GLU H H 41 6.800 6.800 7.718 -0.918 17968 525 1 2 . 1 1 44 44 VAL N N 42 124.710 124.710 120.393 4.317 17968 526 1 2 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.713 -0.533 17968 527 1 2 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.105 1.425 17968 528 1 2 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.636 0.695 17968 529 1 2 . 1 1 44 44 VAL H H 42 7.760 7.760 8.022 -0.262 17968 530 1 2 . 1 1 45 45 TYR N N 43 118.310 118.310 119.432 -1.122 17968 531 1 2 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.211 -0.021 17968 532 1 2 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.301 -0.171 17968 533 1 2 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.039 1.691 17968 534 1 2 . 1 1 45 45 TYR H H 43 7.600 7.600 7.572 0.028 17968 535 1 2 . 1 1 46 46 ASP N N 44 120.910 120.910 120.145 0.765 17968 536 1 2 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.443 0.267 17968 537 1 2 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.675 0.355 17968 538 1 2 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.702 0.128 17968 539 1 2 . 1 1 46 46 ASP H H 44 8.660 8.660 7.708 0.952 17968 540 1 2 . 1 1 47 47 PHE N N 45 125.310 125.310 120.559 4.751 17968 541 1 2 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.176 -0.246 17968 542 1 2 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.346 1.284 17968 543 1 2 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.324 -0.294 17968 544 1 2 . 1 1 47 47 PHE H H 45 8.250 8.250 8.040 0.210 17968 545 1 2 . 1 1 48 48 ALA N N 46 119.710 119.710 121.531 -1.821 17968 546 1 2 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.231 0.269 17968 547 1 2 . 1 1 48 48 ALA CA C 46 54.130 54.130 54.244 -0.114 17968 548 1 2 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.676 0.054 17968 549 1 2 . 1 1 48 48 ALA H H 46 7.790 7.790 7.862 -0.072 17968 550 1 2 . 1 1 49 49 PHE N N 47 123.210 123.210 119.352 3.858 17968 551 1 2 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.333 0.217 17968 552 1 2 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.852 -0.322 17968 553 1 2 . 1 1 49 49 PHE CB C 47 39.030 39.030 40.056 -1.026 17968 554 1 2 . 1 1 49 49 PHE H H 47 9.040 9.040 8.008 1.032 17968 555 1 2 . 1 1 50 50 ARG N N 48 119.810 119.810 119.550 0.260 17968 556 1 2 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.330 -0.280 17968 557 1 2 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.611 1.519 17968 558 1 2 . 1 1 50 50 ARG CB C 48 31.030 31.030 30.753 0.277 17968 559 1 2 . 1 1 50 50 ARG H H 48 8.100 8.100 7.909 0.191 17968 560 1 2 . 1 1 51 51 ASP N N 49 120.910 120.910 123.304 -2.394 17968 561 1 2 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.472 -0.022 17968 562 1 2 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.516 0.014 17968 563 1 2 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.402 -0.472 17968 564 1 2 . 1 1 51 51 ASP H H 49 8.010 8.010 8.413 -0.403 17968 565 1 2 . 1 1 52 52 LEU N N 50 118.510 118.510 124.584 -6.074 17968 566 1 2 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.695 -0.525 17968 567 1 2 . 1 1 52 52 LEU CA C 50 54.230 54.230 52.876 1.354 17968 568 1 2 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.904 -3.674 17968 569 1 2 . 1 1 52 52 LEU H H 50 6.720 6.720 7.793 -1.073 17968 570 1 2 . 1 1 53 53 CYS N N 51 117.410 117.410 117.092 0.318 17968 571 1 2 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.260 -0.350 17968 572 1 2 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.304 2.426 17968 573 1 2 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.158 -1.428 17968 574 1 2 . 1 1 53 53 CYS H H 51 8.030 8.030 8.287 -0.257 17968 575 1 2 . 1 1 54 54 ILE N N 52 125.110 125.110 125.422 -0.312 17968 576 1 2 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.324 -0.334 17968 577 1 2 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.780 -1.850 17968 578 1 2 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.704 -0.974 17968 579 1 2 . 1 1 54 54 ILE H H 52 8.450 8.450 8.522 -0.072 17968 580 1 2 . 1 1 55 55 VAL N N 53 127.010 127.010 124.425 2.585 17968 581 1 2 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.380 -0.030 17968 582 1 2 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.744 -0.114 17968 583 1 2 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.714 2.516 17968 584 1 2 . 1 1 55 55 VAL H H 53 8.120 8.120 8.111 0.009 17968 585 1 2 . 1 1 56 56 TYR N N 54 125.010 125.010 127.861 -2.851 17968 586 1 2 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.950 0.430 17968 587 1 2 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.532 -0.102 17968 588 1 2 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.573 2.457 17968 589 1 2 . 1 1 56 56 TYR H H 54 8.710 8.710 8.731 -0.021 17968 590 1 2 . 1 1 57 57 ARG N N 55 123.810 123.810 126.287 -2.477 17968 591 1 2 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.166 0.464 17968 592 1 2 . 1 1 57 57 ARG CA C 55 55.330 55.330 56.121 -0.791 17968 593 1 2 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.403 3.427 17968 594 1 2 . 1 1 57 57 ARG H H 55 8.860 8.860 8.354 0.506 17968 595 1 2 . 1 1 58 58 ASP N N 56 129.110 129.110 125.615 3.495 17968 596 1 2 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.377 -0.076 17968 597 1 2 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.263 -0.533 17968 598 1 2 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.240 -0.111 17968 599 1 2 . 1 1 58 58 ASP H H 56 9.630 9.630 8.902 0.728 17968 600 1 2 . 1 1 59 59 GLY N N 57 104.510 104.510 104.895 -0.385 17968 601 1 2 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.398 0.232 17968 602 1 2 . 1 1 59 59 GLY H H 57 8.710 8.710 8.339 0.371 17968 603 1 2 . 1 1 60 60 ASN N N 58 122.110 122.110 120.925 1.185 17968 604 1 2 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.125 0.255 17968 605 1 2 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.959 -0.629 17968 606 1 2 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.619 0.811 17968 607 1 2 . 1 1 60 60 ASN H H 58 8.130 8.130 7.907 0.223 17968 608 1 2 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.134 0.636 17968 609 1 2 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.381 -0.351 17968 610 1 2 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.605 2.825 17968 611 1 2 . 1 1 62 62 TYR N N 60 119.910 119.910 124.544 -4.634 17968 612 1 2 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.628 -0.278 17968 613 1 2 . 1 1 62 62 TYR CA C 60 58.130 58.130 57.049 1.081 17968 614 1 2 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.227 1.203 17968 615 1 2 . 1 1 62 62 TYR H H 60 8.580 8.580 7.976 0.604 17968 616 1 2 . 1 1 63 63 ALA N N 61 123.710 123.710 122.036 1.674 17968 617 1 2 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.455 -0.075 17968 618 1 2 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.846 -0.516 17968 619 1 2 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.163 -0.933 17968 620 1 2 . 1 1 63 63 ALA H H 61 7.980 7.980 8.902 -0.922 17968 621 1 2 . 1 1 64 64 VAL N N 62 120.610 120.610 119.286 1.324 17968 622 1 2 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.264 1.216 17968 623 1 2 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.299 0.031 17968 624 1 2 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.215 4.015 17968 625 1 2 . 1 1 64 64 VAL H H 62 6.330 6.330 8.361 -2.031 17968 626 1 2 . 1 1 65 65 CYS N N 63 130.310 130.310 124.447 5.863 17968 627 1 2 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.547 0.013 17968 628 1 2 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.529 0.901 17968 629 1 2 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.668 1.362 17968 630 1 2 . 1 1 65 65 CYS H H 63 9.420 9.420 8.467 0.953 17968 631 1 2 . 1 1 66 66 ASP N N 64 121.110 121.110 121.268 -0.158 17968 632 1 2 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.314 0.096 17968 633 1 2 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.937 0.493 17968 634 1 2 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.908 1.622 17968 635 1 2 . 1 1 66 66 ASP H H 64 9.040 9.040 9.005 0.035 17968 636 1 2 . 1 1 67 67 LYS N N 65 121.910 121.910 119.681 2.229 17968 637 1 2 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.325 -0.335 17968 638 1 2 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.510 0.620 17968 639 1 2 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.720 0.110 17968 640 1 2 . 1 1 67 67 LYS H H 65 8.330 8.330 8.151 0.179 17968 641 1 2 . 1 1 68 68 CYS N N 66 125.510 125.510 119.700 5.810 17968 642 1 2 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.226 -0.116 17968 643 1 2 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.719 2.010 17968 644 1 2 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.936 4.694 17968 645 1 2 . 1 1 68 68 CYS H H 66 8.690 8.690 7.905 0.785 17968 646 1 2 . 1 1 69 69 LEU N N 67 125.110 125.110 121.542 3.568 17968 647 1 2 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.245 -0.215 17968 648 1 2 . 1 1 69 69 LEU CA C 67 58.630 58.630 57.788 0.842 17968 649 1 2 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.187 0.043 17968 650 1 2 . 1 1 69 69 LEU H H 67 8.460 8.460 8.625 -0.165 17968 651 1 2 . 1 1 70 70 LYS N N 68 119.210 119.210 117.886 1.324 17968 652 1 2 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.209 -0.229 17968 653 1 2 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.187 0.843 17968 654 1 2 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.824 -0.594 17968 655 1 2 . 1 1 70 70 LYS H H 68 7.830 7.830 7.826 0.004 17968 656 1 2 . 1 1 71 71 PHE N N 69 121.710 121.710 118.516 3.194 17968 657 1 2 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.317 -0.047 17968 658 1 2 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.909 -0.779 17968 659 1 2 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.615 -0.185 17968 660 1 2 . 1 1 71 71 PHE H H 69 7.810 7.810 7.845 -0.035 17968 661 1 3 . 1 1 4 4 PHE N N 2 122.310 122.310 123.054 -0.744 17968 662 1 3 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.706 -0.086 17968 663 1 3 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.152 0.178 17968 664 1 3 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.929 -1.499 17968 665 1 3 . 1 1 4 4 PHE H H 2 8.370 8.370 8.612 -0.242 17968 666 1 3 . 1 1 5 5 GLN N N 3 123.510 123.510 119.795 3.715 17968 667 1 3 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.623 -0.433 17968 668 1 3 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.159 1.871 17968 669 1 3 . 1 1 5 5 GLN CB C 3 29.930 29.930 31.147 -1.217 17968 670 1 3 . 1 1 5 5 GLN H H 3 8.250 8.250 8.517 -0.267 17968 671 1 3 . 1 1 6 6 ASP N N 4 125.010 125.010 121.052 3.958 17968 672 1 3 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.645 0.195 17968 673 1 3 . 1 1 6 6 ASP CA C 4 52.030 52.030 52.763 -0.733 17968 674 1 3 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.460 0.270 17968 675 1 3 . 1 1 6 6 ASP H H 4 8.410 8.410 8.573 -0.163 17968 676 1 3 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.582 -0.462 17968 677 1 3 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.821 1.309 17968 678 1 3 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.868 0.462 17968 679 1 3 . 1 1 8 8 GLN N N 6 119.710 119.710 121.108 -1.398 17968 680 1 3 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.297 -0.147 17968 681 1 3 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.035 0.595 17968 682 1 3 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.188 1.142 17968 683 1 3 . 1 1 8 8 GLN H H 6 8.430 8.430 8.038 0.392 17968 684 1 3 . 1 1 9 9 GLU N N 7 122.110 122.110 123.804 -1.694 17968 685 1 3 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.210 -0.030 17968 686 1 3 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.920 0.210 17968 687 1 3 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.623 0.907 17968 688 1 3 . 1 1 9 9 GLU H H 7 7.940 7.940 8.248 -0.308 17968 689 1 3 . 1 1 10 10 ARG N N 8 123.410 123.410 115.996 7.414 17968 690 1 3 . 1 1 10 10 ARG HA H 8 4.410 4.410 3.774 0.636 17968 691 1 3 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.719 -1.589 17968 692 1 3 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.141 1.189 17968 693 1 3 . 1 1 10 10 ARG H H 8 7.670 7.670 8.006 -0.336 17968 694 1 3 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.626 -0.286 17968 695 1 3 . 1 1 11 11 PRO CA C 9 63.530 63.530 63.230 0.300 17968 696 1 3 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.683 -0.053 17968 697 1 3 . 1 1 12 12 ARG N N 10 123.810 123.810 114.757 9.053 17968 698 1 3 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.677 -0.017 17968 699 1 3 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.818 0.012 17968 700 1 3 . 1 1 12 12 ARG CB C 10 32.530 32.530 32.656 -0.126 17968 701 1 3 . 1 1 12 12 ARG H H 10 8.700 8.700 8.367 0.333 17968 702 1 3 . 1 1 13 13 LYS N N 11 118.310 118.310 118.854 -0.544 17968 703 1 3 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.685 0.365 17968 704 1 3 . 1 1 13 13 LYS CA C 11 53.230 53.230 55.102 -1.872 17968 705 1 3 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.376 1.254 17968 706 1 3 . 1 1 13 13 LYS H H 11 7.810 7.810 7.739 0.071 17968 707 1 3 . 1 1 14 14 LEU N N 12 124.810 124.810 123.511 1.299 17968 708 1 3 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.255 -0.105 17968 709 1 3 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.683 -0.053 17968 710 1 3 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.901 0.628 17968 711 1 3 . 1 1 14 14 LEU H H 12 10.210 10.210 9.215 0.995 17968 712 1 3 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.177 -0.007 17968 713 1 3 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.755 1.575 17968 714 1 3 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.987 -0.457 17968 715 1 3 . 1 1 16 16 GLN N N 14 117.710 117.710 116.932 0.778 17968 716 1 3 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.126 0.034 17968 717 1 3 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.594 0.535 17968 718 1 3 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.174 0.456 17968 719 1 3 . 1 1 16 16 GLN H H 14 7.100 7.100 7.570 -0.470 17968 720 1 3 . 1 1 17 17 LEU N N 15 124.610 124.610 122.065 2.545 17968 721 1 3 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.103 -0.103 17968 722 1 3 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.056 0.574 17968 723 1 3 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.813 0.216 17968 724 1 3 . 1 1 17 17 LEU H H 15 8.020 8.020 7.746 0.274 17968 725 1 3 . 1 1 18 18 CYS N N 16 117.210 117.210 116.145 1.065 17968 726 1 3 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.109 -0.379 17968 727 1 3 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.791 1.039 17968 728 1 3 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.082 0.148 17968 729 1 3 . 1 1 18 18 CYS H H 16 8.410 8.410 8.364 0.046 17968 730 1 3 . 1 1 19 19 THR N N 17 117.710 117.710 116.604 1.106 17968 731 1 3 . 1 1 19 19 THR HA H 17 3.990 3.990 4.148 -0.158 17968 732 1 3 . 1 1 19 19 THR CA C 17 66.830 66.830 66.380 0.450 17968 733 1 3 . 1 1 19 19 THR CB C 17 68.830 68.830 68.715 0.115 17968 734 1 3 . 1 1 19 19 THR H H 17 7.670 7.670 7.731 -0.061 17968 735 1 3 . 1 1 20 20 GLU N N 18 125.410 125.410 121.885 3.525 17968 736 1 3 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.234 -0.174 17968 737 1 3 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.815 1.015 17968 738 1 3 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.126 0.504 17968 739 1 3 . 1 1 20 20 GLU H H 18 7.980 7.980 8.157 -0.177 17968 740 1 3 . 1 1 21 21 LEU N N 19 118.810 118.810 117.421 1.389 17968 741 1 3 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.292 -0.002 17968 742 1 3 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.610 0.320 17968 743 1 3 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.188 0.042 17968 744 1 3 . 1 1 21 21 LEU H H 19 7.990 7.990 7.812 0.178 17968 745 1 3 . 1 1 22 22 GLN N N 20 118.310 118.310 116.493 1.817 17968 746 1 3 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.026 -0.086 17968 747 1 3 . 1 1 22 22 GLN CA C 20 56.630 56.630 56.965 -0.335 17968 748 1 3 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.188 -0.058 17968 749 1 3 . 1 1 22 22 GLN H H 20 7.850 7.850 7.768 0.082 17968 750 1 3 . 1 1 23 23 THR N N 21 115.810 115.810 111.256 4.554 17968 751 1 3 . 1 1 23 23 THR HA H 21 4.920 4.920 4.673 0.247 17968 752 1 3 . 1 1 23 23 THR CA C 21 58.730 58.730 59.729 -0.999 17968 753 1 3 . 1 1 23 23 THR CB C 21 70.330 70.330 70.169 0.161 17968 754 1 3 . 1 1 23 23 THR H H 21 8.210 8.210 8.304 -0.094 17968 755 1 3 . 1 1 24 24 THR N N 22 112.810 112.810 113.123 -0.313 17968 756 1 3 . 1 1 24 24 THR HA H 22 4.860 4.860 4.679 0.181 17968 757 1 3 . 1 1 24 24 THR CA C 22 59.830 59.830 60.442 -0.612 17968 758 1 3 . 1 1 24 24 THR CB C 22 74.030 74.030 70.754 3.276 17968 759 1 3 . 1 1 24 24 THR H H 22 8.620 8.620 8.094 0.526 17968 760 1 3 . 1 1 25 25 ILE N N 23 124.310 124.310 116.898 7.412 17968 761 1 3 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.949 -0.289 17968 762 1 3 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.356 0.374 17968 763 1 3 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.364 0.866 17968 764 1 3 . 1 1 25 25 ILE H H 23 9.020 9.020 8.345 0.675 17968 765 1 3 . 1 1 26 26 HIS N N 24 119.210 119.210 114.211 4.999 17968 766 1 3 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.690 -0.310 17968 767 1 3 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.152 -0.722 17968 768 1 3 . 1 1 26 26 HIS CB C 24 30.730 30.730 31.528 -0.798 17968 769 1 3 . 1 1 26 26 HIS H H 24 6.870 6.870 7.433 -0.563 17968 770 1 3 . 1 1 27 27 ASP N N 25 116.510 116.510 118.760 -2.250 17968 771 1 3 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.723 0.027 17968 772 1 3 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.492 0.938 17968 773 1 3 . 1 1 27 27 ASP CB C 25 44.330 44.330 41.598 2.732 17968 774 1 3 . 1 1 27 27 ASP H H 25 7.220 7.220 7.594 -0.374 17968 775 1 3 . 1 1 28 28 ILE N N 26 123.310 123.310 119.568 3.742 17968 776 1 3 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.169 -0.269 17968 777 1 3 . 1 1 28 28 ILE CA C 26 63.130 63.130 61.543 1.587 17968 778 1 3 . 1 1 28 28 ILE CB C 26 37.930 37.930 39.168 -1.238 17968 779 1 3 . 1 1 28 28 ILE H H 26 7.690 7.690 7.402 0.288 17968 780 1 3 . 1 1 29 29 ILE N N 27 130.910 130.910 129.177 1.733 17968 781 1 3 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.228 0.132 17968 782 1 3 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.403 -0.573 17968 783 1 3 . 1 1 29 29 ILE CB C 27 37.730 37.730 36.782 0.948 17968 784 1 3 . 1 1 29 29 ILE H H 27 8.230 8.230 8.297 -0.067 17968 785 1 3 . 1 1 30 30 LEU N N 28 129.310 129.310 128.028 1.282 17968 786 1 3 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.686 -0.036 17968 787 1 3 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.635 -1.105 17968 788 1 3 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.291 2.039 17968 789 1 3 . 1 1 30 30 LEU H H 28 8.450 8.450 8.413 0.037 17968 790 1 3 . 1 1 31 31 GLU N N 29 121.810 121.810 119.480 2.330 17968 791 1 3 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.102 -0.442 17968 792 1 3 . 1 1 31 31 GLU CA C 29 53.730 53.730 54.141 -0.411 17968 793 1 3 . 1 1 31 31 GLU CB C 29 32.930 32.930 34.327 -1.397 17968 794 1 3 . 1 1 31 31 GLU H H 29 8.820 8.820 8.281 0.539 17968 795 1 3 . 1 1 32 32 CYS N N 30 125.510 125.510 121.492 4.018 17968 796 1 3 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.032 -1.002 17968 797 1 3 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.438 -1.208 17968 798 1 3 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.365 3.465 17968 799 1 3 . 1 1 32 32 CYS H H 30 8.240 8.240 8.801 -0.561 17968 800 1 3 . 1 1 33 33 VAL N N 31 132.310 132.310 126.773 5.537 17968 801 1 3 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.209 -0.129 17968 802 1 3 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.007 0.323 17968 803 1 3 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.559 0.071 17968 804 1 3 . 1 1 33 33 VAL H H 31 8.880 8.880 8.318 0.562 17968 805 1 3 . 1 1 34 34 TYR N N 32 124.210 124.210 117.298 6.912 17968 806 1 3 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.555 -0.105 17968 807 1 3 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.409 1.621 17968 808 1 3 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.336 0.694 17968 809 1 3 . 1 1 34 34 TYR H H 32 8.620 8.620 7.383 1.237 17968 810 1 3 . 1 1 35 35 CYS N N 33 119.810 119.810 116.828 2.982 17968 811 1 3 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.428 0.372 17968 812 1 3 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.555 -0.225 17968 813 1 3 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.064 4.166 17968 814 1 3 . 1 1 35 35 CYS H H 33 8.090 8.090 7.837 0.253 17968 815 1 3 . 1 1 36 36 LYS N N 34 119.810 119.810 116.535 3.275 17968 816 1 3 . 1 1 36 36 LYS HA H 34 4.160 4.160 3.926 0.234 17968 817 1 3 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.987 0.843 17968 818 1 3 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.779 -1.549 17968 819 1 3 . 1 1 36 36 LYS H H 34 7.870 7.870 8.004 -0.134 17968 820 1 3 . 1 1 37 37 GLN N N 35 120.610 120.610 117.736 2.874 17968 821 1 3 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.292 0.078 17968 822 1 3 . 1 1 37 37 GLN CA C 35 55.430 55.430 56.105 -0.675 17968 823 1 3 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.513 0.217 17968 824 1 3 . 1 1 37 37 GLN H H 35 8.250 8.250 7.971 0.279 17968 825 1 3 . 1 1 38 38 GLN N N 36 123.610 123.610 124.579 -0.969 17968 826 1 3 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.336 0.024 17968 827 1 3 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.596 0.234 17968 828 1 3 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.997 0.433 17968 829 1 3 . 1 1 38 38 GLN H H 36 8.630 8.630 8.608 0.022 17968 830 1 3 . 1 1 39 39 LEU N N 37 131.410 131.410 128.027 3.383 17968 831 1 3 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.288 -0.188 17968 832 1 3 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.264 1.966 17968 833 1 3 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.350 -0.220 17968 834 1 3 . 1 1 39 39 LEU H H 37 8.830 8.830 8.589 0.241 17968 835 1 3 . 1 1 40 40 LEU N N 38 126.410 126.410 123.875 2.535 17968 836 1 3 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.360 -0.070 17968 837 1 3 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.247 0.083 17968 838 1 3 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.820 0.110 17968 839 1 3 . 1 1 40 40 LEU H H 38 9.780 9.780 8.148 1.632 17968 840 1 3 . 1 1 41 41 ARG N N 39 126.610 126.610 120.912 5.698 17968 841 1 3 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.798 -0.348 17968 842 1 3 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.219 -1.289 17968 843 1 3 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.784 -2.754 17968 844 1 3 . 1 1 41 41 ARG H H 39 8.880 8.880 8.664 0.216 17968 845 1 3 . 1 1 42 42 ARG N N 40 116.410 116.410 119.661 -3.251 17968 846 1 3 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.094 -0.094 17968 847 1 3 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.673 -1.143 17968 848 1 3 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.722 3.108 17968 849 1 3 . 1 1 42 42 ARG H H 40 8.590 8.590 8.486 0.104 17968 850 1 3 . 1 1 43 43 GLU N N 41 117.710 117.710 118.502 -0.792 17968 851 1 3 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.169 0.091 17968 852 1 3 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.931 -0.001 17968 853 1 3 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.542 1.988 17968 854 1 3 . 1 1 43 43 GLU H H 41 6.800 6.800 7.941 -1.141 17968 855 1 3 . 1 1 44 44 VAL N N 42 124.710 124.710 120.966 3.744 17968 856 1 3 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.701 -0.521 17968 857 1 3 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.421 1.109 17968 858 1 3 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.747 0.583 17968 859 1 3 . 1 1 44 44 VAL H H 42 7.760 7.760 7.907 -0.147 17968 860 1 3 . 1 1 45 45 TYR N N 43 118.310 118.310 119.681 -1.371 17968 861 1 3 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.309 -0.119 17968 862 1 3 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.251 -0.121 17968 863 1 3 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.352 1.379 17968 864 1 3 . 1 1 45 45 TYR H H 43 7.600 7.600 8.018 -0.418 17968 865 1 3 . 1 1 46 46 ASP N N 44 120.910 120.910 120.225 0.685 17968 866 1 3 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.365 0.345 17968 867 1 3 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.827 0.203 17968 868 1 3 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.783 0.047 17968 869 1 3 . 1 1 46 46 ASP H H 44 8.660 8.660 8.042 0.618 17968 870 1 3 . 1 1 47 47 PHE N N 45 125.310 125.310 120.958 4.352 17968 871 1 3 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.241 -0.311 17968 872 1 3 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.484 1.146 17968 873 1 3 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.259 -0.229 17968 874 1 3 . 1 1 47 47 PHE H H 45 8.250 8.250 8.356 -0.106 17968 875 1 3 . 1 1 48 48 ALA N N 46 119.710 119.710 121.776 -2.066 17968 876 1 3 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.255 0.245 17968 877 1 3 . 1 1 48 48 ALA CA C 46 54.130 54.130 54.365 -0.235 17968 878 1 3 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.192 0.538 17968 879 1 3 . 1 1 48 48 ALA H H 46 7.790 7.790 8.482 -0.692 17968 880 1 3 . 1 1 49 49 PHE N N 47 123.210 123.210 117.524 5.686 17968 881 1 3 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.346 0.204 17968 882 1 3 . 1 1 49 49 PHE CA C 47 60.530 60.530 59.921 0.609 17968 883 1 3 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.600 -0.570 17968 884 1 3 . 1 1 49 49 PHE H H 47 9.040 9.040 8.029 1.011 17968 885 1 3 . 1 1 50 50 ARG N N 48 119.810 119.810 118.540 1.270 17968 886 1 3 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.526 -0.476 17968 887 1 3 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.456 2.674 17968 888 1 3 . 1 1 50 50 ARG CB C 48 31.030 31.030 32.761 -1.731 17968 889 1 3 . 1 1 50 50 ARG H H 48 8.100 8.100 7.455 0.645 17968 890 1 3 . 1 1 51 51 ASP N N 49 120.910 120.910 121.390 -0.480 17968 891 1 3 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.754 -0.304 17968 892 1 3 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.660 0.870 17968 893 1 3 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.048 -0.118 17968 894 1 3 . 1 1 51 51 ASP H H 49 8.010 8.010 8.540 -0.530 17968 895 1 3 . 1 1 52 52 LEU N N 50 118.510 118.510 121.741 -3.231 17968 896 1 3 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.448 -0.278 17968 897 1 3 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.272 0.958 17968 898 1 3 . 1 1 52 52 LEU CB C 50 41.230 41.230 43.099 -1.869 17968 899 1 3 . 1 1 52 52 LEU H H 50 6.720 6.720 7.546 -0.826 17968 900 1 3 . 1 1 53 53 CYS N N 51 117.410 117.410 118.952 -1.542 17968 901 1 3 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.707 0.203 17968 902 1 3 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.812 1.917 17968 903 1 3 . 1 1 53 53 CYS CB C 51 28.730 28.730 29.119 -0.389 17968 904 1 3 . 1 1 53 53 CYS H H 51 8.030 8.030 8.261 -0.231 17968 905 1 3 . 1 1 54 54 ILE N N 52 125.110 125.110 123.023 2.087 17968 906 1 3 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.092 -0.102 17968 907 1 3 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.302 -1.372 17968 908 1 3 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.117 -0.387 17968 909 1 3 . 1 1 54 54 ILE H H 52 8.450 8.450 7.886 0.564 17968 910 1 3 . 1 1 55 55 VAL N N 53 127.010 127.010 127.038 -0.028 17968 911 1 3 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.104 0.246 17968 912 1 3 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.484 -0.855 17968 913 1 3 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.908 2.322 17968 914 1 3 . 1 1 55 55 VAL H H 53 8.120 8.120 7.960 0.160 17968 915 1 3 . 1 1 56 56 TYR N N 54 125.010 125.010 127.672 -2.662 17968 916 1 3 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.868 0.512 17968 917 1 3 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.331 0.098 17968 918 1 3 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.825 2.205 17968 919 1 3 . 1 1 56 56 TYR H H 54 8.710 8.710 8.448 0.262 17968 920 1 3 . 1 1 57 57 ARG N N 55 123.810 123.810 125.643 -1.833 17968 921 1 3 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.473 0.157 17968 922 1 3 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.257 0.073 17968 923 1 3 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.840 1.990 17968 924 1 3 . 1 1 57 57 ARG H H 55 8.860 8.860 8.281 0.579 17968 925 1 3 . 1 1 58 58 ASP N N 56 129.110 129.110 124.762 4.348 17968 926 1 3 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.372 -0.072 17968 927 1 3 . 1 1 58 58 ASP CA C 56 55.730 55.730 55.787 -0.057 17968 928 1 3 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.700 -0.570 17968 929 1 3 . 1 1 58 58 ASP H H 56 9.630 9.630 9.164 0.466 17968 930 1 3 . 1 1 59 59 GLY N N 57 104.510 104.510 103.146 1.364 17968 931 1 3 . 1 1 59 59 GLY CA C 57 45.630 45.630 44.832 0.798 17968 932 1 3 . 1 1 59 59 GLY H H 57 8.710 8.710 7.953 0.757 17968 933 1 3 . 1 1 60 60 ASN N N 58 122.110 122.110 120.958 1.152 17968 934 1 3 . 1 1 60 60 ASN HA H 58 5.380 5.380 4.987 0.393 17968 935 1 3 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.078 0.252 17968 936 1 3 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.221 1.209 17968 937 1 3 . 1 1 60 60 ASN H H 58 8.130 8.130 7.742 0.388 17968 938 1 3 . 1 1 61 61 PRO HA H 59 3.770 3.770 4.367 -0.597 17968 939 1 3 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.787 -0.757 17968 940 1 3 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.918 2.512 17968 941 1 3 . 1 1 62 62 TYR N N 60 119.910 119.910 124.201 -4.291 17968 942 1 3 . 1 1 62 62 TYR HA H 60 4.350 4.350 5.443 -1.093 17968 943 1 3 . 1 1 62 62 TYR CA C 60 58.130 58.130 55.683 2.447 17968 944 1 3 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.330 1.100 17968 945 1 3 . 1 1 62 62 TYR H H 60 8.580 8.580 7.425 1.155 17968 946 1 3 . 1 1 63 63 ALA N N 61 123.710 123.710 119.456 4.254 17968 947 1 3 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.711 -0.331 17968 948 1 3 . 1 1 63 63 ALA CA C 61 49.330 49.330 50.032 -0.702 17968 949 1 3 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.875 -1.645 17968 950 1 3 . 1 1 63 63 ALA H H 61 7.980 7.980 8.822 -0.842 17968 951 1 3 . 1 1 64 64 VAL N N 62 120.610 120.610 115.357 5.253 17968 952 1 3 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.432 1.048 17968 953 1 3 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.515 0.815 17968 954 1 3 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.210 4.020 17968 955 1 3 . 1 1 64 64 VAL H H 62 6.330 6.330 8.372 -2.042 17968 956 1 3 . 1 1 65 65 CYS N N 63 130.310 130.310 122.497 7.813 17968 957 1 3 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.545 0.015 17968 958 1 3 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.776 0.654 17968 959 1 3 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.458 1.572 17968 960 1 3 . 1 1 65 65 CYS H H 63 9.420 9.420 8.389 1.031 17968 961 1 3 . 1 1 66 66 ASP N N 64 121.110 121.110 120.994 0.116 17968 962 1 3 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.236 0.174 17968 963 1 3 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.782 0.648 17968 964 1 3 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.015 1.515 17968 965 1 3 . 1 1 66 66 ASP H H 64 9.040 9.040 9.128 -0.088 17968 966 1 3 . 1 1 67 67 LYS N N 65 121.910 121.910 119.267 2.643 17968 967 1 3 . 1 1 67 67 LYS HA H 65 3.990 3.990 3.807 0.183 17968 968 1 3 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.078 1.052 17968 969 1 3 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.245 0.585 17968 970 1 3 . 1 1 67 67 LYS H H 65 8.330 8.330 7.824 0.506 17968 971 1 3 . 1 1 68 68 CYS N N 66 125.510 125.510 119.674 5.836 17968 972 1 3 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.570 -0.460 17968 973 1 3 . 1 1 68 68 CYS CA C 66 63.730 63.730 63.029 0.702 17968 974 1 3 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.150 4.480 17968 975 1 3 . 1 1 68 68 CYS H H 66 8.690 8.690 7.715 0.975 17968 976 1 3 . 1 1 69 69 LEU N N 67 125.110 125.110 120.302 4.808 17968 977 1 3 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.017 0.013 17968 978 1 3 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.137 0.493 17968 979 1 3 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.714 0.516 17968 980 1 3 . 1 1 69 69 LEU H H 67 8.460 8.460 8.653 -0.193 17968 981 1 3 . 1 1 70 70 LYS N N 68 119.210 119.210 118.630 0.580 17968 982 1 3 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.119 -0.139 17968 983 1 3 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.502 0.527 17968 984 1 3 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.852 -0.622 17968 985 1 3 . 1 1 70 70 LYS H H 68 7.830 7.830 7.417 0.413 17968 986 1 3 . 1 1 71 71 PHE N N 69 121.710 121.710 116.878 4.832 17968 987 1 3 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.308 -0.038 17968 988 1 3 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.777 0.353 17968 989 1 3 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.038 0.392 17968 990 1 3 . 1 1 71 71 PHE H H 69 7.810 7.810 7.706 0.104 17968 991 1 4 . 1 1 4 4 PHE N N 2 122.310 122.310 123.398 -1.088 17968 992 1 4 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.838 -0.218 17968 993 1 4 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.189 -0.859 17968 994 1 4 . 1 1 4 4 PHE CB C 2 39.430 39.430 39.753 -0.323 17968 995 1 4 . 1 1 4 4 PHE H H 2 8.370 8.370 8.642 -0.272 17968 996 1 4 . 1 1 5 5 GLN N N 3 123.510 123.510 120.698 2.812 17968 997 1 4 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.570 -0.380 17968 998 1 4 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.856 2.174 17968 999 1 4 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.386 -0.456 17968 1000 1 4 . 1 1 5 5 GLN H H 3 8.250 8.250 7.850 0.400 17968 1001 1 4 . 1 1 6 6 ASP N N 4 125.010 125.010 120.174 4.836 17968 1002 1 4 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.516 0.324 17968 1003 1 4 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.469 -1.440 17968 1004 1 4 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.562 0.168 17968 1005 1 4 . 1 1 6 6 ASP H H 4 8.410 8.410 8.406 0.004 17968 1006 1 4 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.592 -0.472 17968 1007 1 4 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.289 0.841 17968 1008 1 4 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.374 -0.044 17968 1009 1 4 . 1 1 8 8 GLN N N 6 119.710 119.710 120.068 -0.358 17968 1010 1 4 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.359 -0.209 17968 1011 1 4 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.767 -0.138 17968 1012 1 4 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.436 0.894 17968 1013 1 4 . 1 1 8 8 GLN H H 6 8.430 8.430 7.600 0.830 17968 1014 1 4 . 1 1 9 9 GLU N N 7 122.110 122.110 124.834 -2.724 17968 1015 1 4 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.390 -0.210 17968 1016 1 4 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.036 1.094 17968 1017 1 4 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.677 -0.146 17968 1018 1 4 . 1 1 9 9 GLU H H 7 7.940 7.940 9.444 -1.504 17968 1019 1 4 . 1 1 10 10 ARG N N 8 123.410 123.410 116.057 7.353 17968 1020 1 4 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.114 0.296 17968 1021 1 4 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.620 -1.490 17968 1022 1 4 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.327 2.003 17968 1023 1 4 . 1 1 10 10 ARG H H 8 7.670 7.670 7.790 -0.120 17968 1024 1 4 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.495 -0.155 17968 1025 1 4 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.909 0.621 17968 1026 1 4 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.631 -0.001 17968 1027 1 4 . 1 1 12 12 ARG N N 10 123.810 123.810 120.112 3.698 17968 1028 1 4 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.541 0.119 17968 1029 1 4 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.193 0.637 17968 1030 1 4 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.759 1.771 17968 1031 1 4 . 1 1 12 12 ARG H H 10 8.700 8.700 8.773 -0.073 17968 1032 1 4 . 1 1 13 13 LYS N N 11 118.310 118.310 118.571 -0.261 17968 1033 1 4 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.712 0.338 17968 1034 1 4 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.988 -0.758 17968 1035 1 4 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.393 1.237 17968 1036 1 4 . 1 1 13 13 LYS H H 11 7.810 7.810 7.569 0.241 17968 1037 1 4 . 1 1 14 14 LEU N N 12 124.810 124.810 127.417 -2.607 17968 1038 1 4 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.230 -0.080 17968 1039 1 4 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.702 -0.072 17968 1040 1 4 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.872 0.658 17968 1041 1 4 . 1 1 14 14 LEU H H 12 10.210 10.210 9.233 0.977 17968 1042 1 4 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.174 -0.004 17968 1043 1 4 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.886 1.444 17968 1044 1 4 . 1 1 15 15 PRO CB C 13 30.530 30.530 31.093 -0.563 17968 1045 1 4 . 1 1 16 16 GLN N N 14 117.710 117.710 117.421 0.289 17968 1046 1 4 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.174 -0.014 17968 1047 1 4 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.516 0.614 17968 1048 1 4 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.447 0.183 17968 1049 1 4 . 1 1 16 16 GLN H H 14 7.100 7.100 7.911 -0.811 17968 1050 1 4 . 1 1 17 17 LEU N N 15 124.610 124.610 121.881 2.729 17968 1051 1 4 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.158 -0.158 17968 1052 1 4 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.762 0.868 17968 1053 1 4 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.712 0.318 17968 1054 1 4 . 1 1 17 17 LEU H H 15 8.020 8.020 7.913 0.107 17968 1055 1 4 . 1 1 18 18 CYS N N 16 117.210 117.210 116.995 0.215 17968 1056 1 4 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.110 -0.380 17968 1057 1 4 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.496 1.334 17968 1058 1 4 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.176 0.054 17968 1059 1 4 . 1 1 18 18 CYS H H 16 8.410 8.410 8.047 0.363 17968 1060 1 4 . 1 1 19 19 THR N N 17 117.710 117.710 115.536 2.174 17968 1061 1 4 . 1 1 19 19 THR HA H 17 3.990 3.990 4.104 -0.114 17968 1062 1 4 . 1 1 19 19 THR CA C 17 66.830 66.830 66.663 0.167 17968 1063 1 4 . 1 1 19 19 THR CB C 17 68.830 68.830 68.392 0.438 17968 1064 1 4 . 1 1 19 19 THR H H 17 7.670 7.670 7.593 0.077 17968 1065 1 4 . 1 1 20 20 GLU N N 18 125.410 125.410 120.363 5.047 17968 1066 1 4 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.141 -0.081 17968 1067 1 4 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.443 1.387 17968 1068 1 4 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.450 0.180 17968 1069 1 4 . 1 1 20 20 GLU H H 18 7.980 7.980 7.622 0.358 17968 1070 1 4 . 1 1 21 21 LEU N N 19 118.810 118.810 117.343 1.467 17968 1071 1 4 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.230 0.060 17968 1072 1 4 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.286 -0.356 17968 1073 1 4 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.481 -0.251 17968 1074 1 4 . 1 1 21 21 LEU H H 19 7.990 7.990 7.829 0.161 17968 1075 1 4 . 1 1 22 22 GLN N N 20 118.310 118.310 114.788 3.522 17968 1076 1 4 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.053 -0.113 17968 1077 1 4 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.006 -0.376 17968 1078 1 4 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.087 0.043 17968 1079 1 4 . 1 1 22 22 GLN H H 20 7.850 7.850 7.551 0.299 17968 1080 1 4 . 1 1 23 23 THR N N 21 115.810 115.810 113.412 2.398 17968 1081 1 4 . 1 1 23 23 THR HA H 21 4.920 4.920 4.765 0.155 17968 1082 1 4 . 1 1 23 23 THR CA C 21 58.730 58.730 60.818 -2.088 17968 1083 1 4 . 1 1 23 23 THR CB C 21 70.330 70.330 70.318 0.012 17968 1084 1 4 . 1 1 23 23 THR H H 21 8.210 8.210 8.294 -0.084 17968 1085 1 4 . 1 1 24 24 THR N N 22 112.810 112.810 113.566 -0.756 17968 1086 1 4 . 1 1 24 24 THR HA H 22 4.860 4.860 4.810 0.050 17968 1087 1 4 . 1 1 24 24 THR CA C 22 59.830 59.830 60.343 -0.513 17968 1088 1 4 . 1 1 24 24 THR CB C 22 74.030 74.030 70.835 3.195 17968 1089 1 4 . 1 1 24 24 THR H H 22 8.620 8.620 8.096 0.524 17968 1090 1 4 . 1 1 25 25 ILE N N 23 124.310 124.310 117.212 7.098 17968 1091 1 4 . 1 1 25 25 ILE HA H 23 3.660 3.660 4.011 -0.351 17968 1092 1 4 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.672 0.058 17968 1093 1 4 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.288 0.941 17968 1094 1 4 . 1 1 25 25 ILE H H 23 9.020 9.020 8.471 0.549 17968 1095 1 4 . 1 1 26 26 HIS N N 24 119.210 119.210 114.796 4.414 17968 1096 1 4 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.910 -0.530 17968 1097 1 4 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.108 -0.679 17968 1098 1 4 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.884 -0.154 17968 1099 1 4 . 1 1 26 26 HIS H H 24 6.870 6.870 7.602 -0.732 17968 1100 1 4 . 1 1 27 27 ASP N N 25 116.510 116.510 118.116 -1.606 17968 1101 1 4 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.746 0.004 17968 1102 1 4 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.882 0.548 17968 1103 1 4 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.931 1.399 17968 1104 1 4 . 1 1 27 27 ASP H H 25 7.220 7.220 7.660 -0.440 17968 1105 1 4 . 1 1 28 28 ILE N N 26 123.310 123.310 122.232 1.078 17968 1106 1 4 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.037 -0.137 17968 1107 1 4 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.230 0.900 17968 1108 1 4 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.328 -0.397 17968 1109 1 4 . 1 1 28 28 ILE H H 26 7.690 7.690 7.410 0.280 17968 1110 1 4 . 1 1 29 29 ILE N N 27 130.910 130.910 129.946 0.964 17968 1111 1 4 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.215 0.145 17968 1112 1 4 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.105 -0.275 17968 1113 1 4 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.414 0.316 17968 1114 1 4 . 1 1 29 29 ILE H H 27 8.230 8.230 8.298 -0.068 17968 1115 1 4 . 1 1 30 30 LEU N N 28 129.310 129.310 128.909 0.401 17968 1116 1 4 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.586 0.064 17968 1117 1 4 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.080 -0.550 17968 1118 1 4 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.330 2.000 17968 1119 1 4 . 1 1 30 30 LEU H H 28 8.450 8.450 8.548 -0.098 17968 1120 1 4 . 1 1 31 31 GLU N N 29 121.810 121.810 117.867 3.943 17968 1121 1 4 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.994 -0.334 17968 1122 1 4 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.504 0.226 17968 1123 1 4 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.992 0.938 17968 1124 1 4 . 1 1 31 31 GLU H H 29 8.820 8.820 8.426 0.394 17968 1125 1 4 . 1 1 32 32 CYS N N 30 125.510 125.510 122.079 3.431 17968 1126 1 4 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.842 -0.812 17968 1127 1 4 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.642 -1.412 17968 1128 1 4 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.822 4.008 17968 1129 1 4 . 1 1 32 32 CYS H H 30 8.240 8.240 8.909 -0.669 17968 1130 1 4 . 1 1 33 33 VAL N N 31 132.310 132.310 127.449 4.861 17968 1131 1 4 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.161 -0.081 17968 1132 1 4 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.961 -0.631 17968 1133 1 4 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.976 -0.346 17968 1134 1 4 . 1 1 33 33 VAL H H 31 8.880 8.880 8.403 0.477 17968 1135 1 4 . 1 1 34 34 TYR N N 32 124.210 124.210 115.247 8.963 17968 1136 1 4 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.472 -0.022 17968 1137 1 4 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.440 0.590 17968 1138 1 4 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.754 1.276 17968 1139 1 4 . 1 1 34 34 TYR H H 32 8.620 8.620 7.326 1.294 17968 1140 1 4 . 1 1 35 35 CYS N N 33 119.810 119.810 115.047 4.763 17968 1141 1 4 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.478 0.322 17968 1142 1 4 . 1 1 35 35 CYS CA C 33 59.330 59.330 58.867 0.463 17968 1143 1 4 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.303 4.927 17968 1144 1 4 . 1 1 35 35 CYS H H 33 8.090 8.090 7.637 0.453 17968 1145 1 4 . 1 1 36 36 LYS N N 34 119.810 119.810 117.790 2.020 17968 1146 1 4 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.255 -0.095 17968 1147 1 4 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.088 0.742 17968 1148 1 4 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.558 -1.328 17968 1149 1 4 . 1 1 36 36 LYS H H 34 7.870 7.870 7.839 0.031 17968 1150 1 4 . 1 1 37 37 GLN N N 35 120.610 120.610 116.658 3.952 17968 1151 1 4 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.543 -0.173 17968 1152 1 4 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.210 1.220 17968 1153 1 4 . 1 1 37 37 GLN CB C 35 29.730 29.730 31.358 -1.628 17968 1154 1 4 . 1 1 37 37 GLN H H 35 8.250 8.250 8.009 0.241 17968 1155 1 4 . 1 1 38 38 GLN N N 36 123.610 123.610 122.596 1.014 17968 1156 1 4 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.289 0.071 17968 1157 1 4 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.820 0.010 17968 1158 1 4 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.997 0.433 17968 1159 1 4 . 1 1 38 38 GLN H H 36 8.630 8.630 8.594 0.036 17968 1160 1 4 . 1 1 39 39 LEU N N 37 131.410 131.410 126.324 5.086 17968 1161 1 4 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.296 -0.196 17968 1162 1 4 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.700 2.530 17968 1163 1 4 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.604 -0.474 17968 1164 1 4 . 1 1 39 39 LEU H H 37 8.830 8.830 8.707 0.123 17968 1165 1 4 . 1 1 40 40 LEU N N 38 126.410 126.410 122.170 4.240 17968 1166 1 4 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.466 -0.176 17968 1167 1 4 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.871 0.459 17968 1168 1 4 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.855 0.075 17968 1169 1 4 . 1 1 40 40 LEU H H 38 9.780 9.780 7.939 1.841 17968 1170 1 4 . 1 1 41 41 ARG N N 39 126.610 126.610 120.730 5.880 17968 1171 1 4 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.652 -0.202 17968 1172 1 4 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.854 -0.924 17968 1173 1 4 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.548 -2.518 17968 1174 1 4 . 1 1 41 41 ARG H H 39 8.880 8.880 8.697 0.183 17968 1175 1 4 . 1 1 42 42 ARG N N 40 116.410 116.410 119.819 -3.409 17968 1176 1 4 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.030 -0.030 17968 1177 1 4 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.380 -0.850 17968 1178 1 4 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.848 2.982 17968 1179 1 4 . 1 1 42 42 ARG H H 40 8.590 8.590 8.525 0.065 17968 1180 1 4 . 1 1 43 43 GLU N N 41 117.710 117.710 118.305 -0.595 17968 1181 1 4 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.206 0.054 17968 1182 1 4 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.596 0.334 17968 1183 1 4 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.004 1.526 17968 1184 1 4 . 1 1 43 43 GLU H H 41 6.800 6.800 7.723 -0.923 17968 1185 1 4 . 1 1 44 44 VAL N N 42 124.710 124.710 121.202 3.508 17968 1186 1 4 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.558 -0.378 17968 1187 1 4 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.494 1.036 17968 1188 1 4 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.535 -0.205 17968 1189 1 4 . 1 1 44 44 VAL H H 42 7.760 7.760 7.435 0.325 17968 1190 1 4 . 1 1 45 45 TYR N N 43 118.310 118.310 117.646 0.664 17968 1191 1 4 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.215 -0.025 17968 1192 1 4 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.859 0.271 17968 1193 1 4 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.180 1.550 17968 1194 1 4 . 1 1 45 45 TYR H H 43 7.600 7.600 7.671 -0.071 17968 1195 1 4 . 1 1 46 46 ASP N N 44 120.910 120.910 120.636 0.274 17968 1196 1 4 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.452 0.258 17968 1197 1 4 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.575 0.455 17968 1198 1 4 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.889 -0.059 17968 1199 1 4 . 1 1 46 46 ASP H H 44 8.660 8.660 7.593 1.067 17968 1200 1 4 . 1 1 47 47 PHE N N 45 125.310 125.310 120.576 4.734 17968 1201 1 4 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.190 -0.260 17968 1202 1 4 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.486 1.144 17968 1203 1 4 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.251 -0.221 17968 1204 1 4 . 1 1 47 47 PHE H H 45 8.250 8.250 8.278 -0.028 17968 1205 1 4 . 1 1 48 48 ALA N N 46 119.710 119.710 120.442 -0.732 17968 1206 1 4 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.279 0.221 17968 1207 1 4 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.799 0.331 17968 1208 1 4 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.722 0.008 17968 1209 1 4 . 1 1 48 48 ALA H H 46 7.790 7.790 7.608 0.182 17968 1210 1 4 . 1 1 49 49 PHE N N 47 123.210 123.210 119.735 3.475 17968 1211 1 4 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.370 0.180 17968 1212 1 4 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.516 0.014 17968 1213 1 4 . 1 1 49 49 PHE CB C 47 39.030 39.030 40.038 -1.008 17968 1214 1 4 . 1 1 49 49 PHE H H 47 9.040 9.040 7.911 1.129 17968 1215 1 4 . 1 1 50 50 ARG N N 48 119.810 119.810 118.801 1.009 17968 1216 1 4 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.258 -0.208 17968 1217 1 4 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.338 1.792 17968 1218 1 4 . 1 1 50 50 ARG CB C 48 31.030 31.030 30.909 0.121 17968 1219 1 4 . 1 1 50 50 ARG H H 48 8.100 8.100 8.207 -0.107 17968 1220 1 4 . 1 1 51 51 ASP N N 49 120.910 120.910 120.828 0.082 17968 1221 1 4 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.608 -0.158 17968 1222 1 4 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.247 0.283 17968 1223 1 4 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.554 -0.624 17968 1224 1 4 . 1 1 51 51 ASP H H 49 8.010 8.010 8.492 -0.482 17968 1225 1 4 . 1 1 52 52 LEU N N 50 118.510 118.510 122.792 -4.282 17968 1226 1 4 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.582 -0.412 17968 1227 1 4 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.302 0.928 17968 1228 1 4 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.090 -3.860 17968 1229 1 4 . 1 1 52 52 LEU H H 50 6.720 6.720 7.733 -1.013 17968 1230 1 4 . 1 1 53 53 CYS N N 51 117.410 117.410 117.797 -0.387 17968 1231 1 4 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.147 -0.237 17968 1232 1 4 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.770 1.960 17968 1233 1 4 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.874 -2.144 17968 1234 1 4 . 1 1 53 53 CYS H H 51 8.030 8.030 8.378 -0.348 17968 1235 1 4 . 1 1 54 54 ILE N N 52 125.110 125.110 123.729 1.381 17968 1236 1 4 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.193 -0.203 17968 1237 1 4 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.821 -1.891 17968 1238 1 4 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.273 -0.543 17968 1239 1 4 . 1 1 54 54 ILE H H 52 8.450 8.450 8.448 0.002 17968 1240 1 4 . 1 1 55 55 VAL N N 53 127.010 127.010 123.568 3.442 17968 1241 1 4 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.377 -0.027 17968 1242 1 4 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.177 -0.547 17968 1243 1 4 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.717 1.513 17968 1244 1 4 . 1 1 55 55 VAL H H 53 8.120 8.120 7.964 0.156 17968 1245 1 4 . 1 1 56 56 TYR N N 54 125.010 125.010 125.652 -0.642 17968 1246 1 4 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.128 0.252 17968 1247 1 4 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.169 0.261 17968 1248 1 4 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.603 1.427 17968 1249 1 4 . 1 1 56 56 TYR H H 54 8.710 8.710 8.723 -0.013 17968 1250 1 4 . 1 1 57 57 ARG N N 55 123.810 123.810 126.937 -3.127 17968 1251 1 4 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.403 0.227 17968 1252 1 4 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.355 -0.025 17968 1253 1 4 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.865 1.965 17968 1254 1 4 . 1 1 57 57 ARG H H 55 8.860 8.860 8.541 0.319 17968 1255 1 4 . 1 1 58 58 ASP N N 56 129.110 129.110 127.119 1.991 17968 1256 1 4 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.390 -0.090 17968 1257 1 4 . 1 1 58 58 ASP CA C 56 55.730 55.730 54.817 0.913 17968 1258 1 4 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.214 -0.084 17968 1259 1 4 . 1 1 58 58 ASP H H 56 9.630 9.630 9.149 0.481 17968 1260 1 4 . 1 1 59 59 GLY N N 57 104.510 104.510 103.726 0.784 17968 1261 1 4 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.075 0.555 17968 1262 1 4 . 1 1 59 59 GLY H H 57 8.710 8.710 8.348 0.362 17968 1263 1 4 . 1 1 60 60 ASN N N 58 122.110 122.110 120.348 1.762 17968 1264 1 4 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.123 0.257 17968 1265 1 4 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.664 -0.334 17968 1266 1 4 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.734 0.695 17968 1267 1 4 . 1 1 60 60 ASN H H 58 8.130 8.130 7.983 0.147 17968 1268 1 4 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.227 0.543 17968 1269 1 4 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.753 -0.723 17968 1270 1 4 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.779 2.651 17968 1271 1 4 . 1 1 62 62 TYR N N 60 119.910 119.910 124.224 -4.314 17968 1272 1 4 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.734 -0.384 17968 1273 1 4 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.771 1.359 17968 1274 1 4 . 1 1 62 62 TYR CB C 60 43.430 43.430 43.171 0.259 17968 1275 1 4 . 1 1 62 62 TYR H H 60 8.580 8.580 8.211 0.369 17968 1276 1 4 . 1 1 63 63 ALA N N 61 123.710 123.710 120.323 3.387 17968 1277 1 4 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.617 -0.237 17968 1278 1 4 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.963 -0.633 17968 1279 1 4 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.913 -1.683 17968 1280 1 4 . 1 1 63 63 ALA H H 61 7.980 7.980 9.032 -1.052 17968 1281 1 4 . 1 1 64 64 VAL N N 62 120.610 120.610 118.506 2.104 17968 1282 1 4 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.392 1.088 17968 1283 1 4 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.263 0.068 17968 1284 1 4 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.365 2.865 17968 1285 1 4 . 1 1 64 64 VAL H H 62 6.330 6.330 8.459 -2.129 17968 1286 1 4 . 1 1 65 65 CYS N N 63 130.310 130.310 124.949 5.361 17968 1287 1 4 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.588 -0.028 17968 1288 1 4 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.958 0.472 17968 1289 1 4 . 1 1 65 65 CYS CB C 63 31.030 31.030 28.424 2.606 17968 1290 1 4 . 1 1 65 65 CYS H H 63 9.420 9.420 8.470 0.950 17968 1291 1 4 . 1 1 66 66 ASP N N 64 121.110 121.110 119.632 1.478 17968 1292 1 4 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.459 -0.049 17968 1293 1 4 . 1 1 66 66 ASP CA C 64 58.430 58.430 56.807 1.623 17968 1294 1 4 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.686 1.844 17968 1295 1 4 . 1 1 66 66 ASP H H 64 9.040 9.040 8.804 0.236 17968 1296 1 4 . 1 1 67 67 LYS N N 65 121.910 121.910 119.377 2.533 17968 1297 1 4 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.330 -0.340 17968 1298 1 4 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.955 1.175 17968 1299 1 4 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.657 0.173 17968 1300 1 4 . 1 1 67 67 LYS H H 65 8.330 8.330 7.550 0.780 17968 1301 1 4 . 1 1 68 68 CYS N N 66 125.510 125.510 119.267 6.243 17968 1302 1 4 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.392 -0.282 17968 1303 1 4 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.695 2.035 17968 1304 1 4 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.865 4.765 17968 1305 1 4 . 1 1 68 68 CYS H H 66 8.690 8.690 7.756 0.934 17968 1306 1 4 . 1 1 69 69 LEU N N 67 125.110 125.110 122.637 2.473 17968 1307 1 4 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.179 -0.149 17968 1308 1 4 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.325 0.305 17968 1309 1 4 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.081 0.148 17968 1310 1 4 . 1 1 69 69 LEU H H 67 8.460 8.460 8.290 0.170 17968 1311 1 4 . 1 1 70 70 LYS N N 68 119.210 119.210 117.805 1.405 17968 1312 1 4 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.196 -0.216 17968 1313 1 4 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.692 1.338 17968 1314 1 4 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.373 -0.143 17968 1315 1 4 . 1 1 70 70 LYS H H 68 7.830 7.830 8.088 -0.258 17968 1316 1 4 . 1 1 71 71 PHE N N 69 121.710 121.710 119.210 2.500 17968 1317 1 4 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.193 0.077 17968 1318 1 4 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.571 -0.441 17968 1319 1 4 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.655 -0.225 17968 1320 1 4 . 1 1 71 71 PHE H H 69 7.810 7.810 7.763 0.047 17968 1321 1 5 . 1 1 4 4 PHE N N 2 122.310 122.310 124.426 -2.116 17968 1322 1 5 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.846 -0.226 17968 1323 1 5 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.226 0.104 17968 1324 1 5 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.309 -0.879 17968 1325 1 5 . 1 1 4 4 PHE H H 2 8.370 8.370 8.494 -0.124 17968 1326 1 5 . 1 1 5 5 GLN N N 3 123.510 123.510 124.118 -0.608 17968 1327 1 5 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.530 -0.340 17968 1328 1 5 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.029 2.001 17968 1329 1 5 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.829 -0.899 17968 1330 1 5 . 1 1 5 5 GLN H H 3 8.250 8.250 8.047 0.203 17968 1331 1 5 . 1 1 6 6 ASP N N 4 125.010 125.010 119.119 5.891 17968 1332 1 5 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.619 0.221 17968 1333 1 5 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.444 -1.415 17968 1334 1 5 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.298 1.432 17968 1335 1 5 . 1 1 6 6 ASP H H 4 8.410 8.410 8.440 -0.030 17968 1336 1 5 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.406 -0.286 17968 1337 1 5 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.990 1.140 17968 1338 1 5 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.851 0.479 17968 1339 1 5 . 1 1 8 8 GLN N N 6 119.710 119.710 118.766 0.944 17968 1340 1 5 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.095 0.055 17968 1341 1 5 . 1 1 8 8 GLN CA C 6 56.630 56.630 54.571 2.059 17968 1342 1 5 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.442 0.888 17968 1343 1 5 . 1 1 8 8 GLN H H 6 8.430 8.430 7.281 1.149 17968 1344 1 5 . 1 1 9 9 GLU N N 7 122.110 122.110 122.226 -0.116 17968 1345 1 5 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.101 0.079 17968 1346 1 5 . 1 1 9 9 GLU CA C 7 56.130 56.130 57.254 -1.124 17968 1347 1 5 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.625 -0.095 17968 1348 1 5 . 1 1 9 9 GLU H H 7 7.940 7.940 8.886 -0.946 17968 1349 1 5 . 1 1 10 10 ARG N N 8 123.410 123.410 116.518 6.892 17968 1350 1 5 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.427 -0.017 17968 1351 1 5 . 1 1 10 10 ARG CA C 8 54.130 54.130 56.055 -1.925 17968 1352 1 5 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.162 1.168 17968 1353 1 5 . 1 1 10 10 ARG H H 8 7.670 7.670 8.595 -0.925 17968 1354 1 5 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.552 -0.212 17968 1355 1 5 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.468 1.062 17968 1356 1 5 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.843 -0.213 17968 1357 1 5 . 1 1 12 12 ARG N N 10 123.810 123.810 117.938 5.872 17968 1358 1 5 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.718 -0.058 17968 1359 1 5 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.829 1.001 17968 1360 1 5 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.794 1.736 17968 1361 1 5 . 1 1 12 12 ARG H H 10 8.700 8.700 8.837 -0.137 17968 1362 1 5 . 1 1 13 13 LYS N N 11 118.310 118.310 120.155 -1.845 17968 1363 1 5 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.676 0.374 17968 1364 1 5 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.904 -1.674 17968 1365 1 5 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.339 1.291 17968 1366 1 5 . 1 1 13 13 LYS H H 11 7.810 7.810 7.435 0.375 17968 1367 1 5 . 1 1 14 14 LEU N N 12 124.810 124.810 127.786 -2.976 17968 1368 1 5 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.211 -0.061 17968 1369 1 5 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.859 -0.229 17968 1370 1 5 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.915 0.615 17968 1371 1 5 . 1 1 14 14 LEU H H 12 10.210 10.210 9.087 1.123 17968 1372 1 5 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.161 0.009 17968 1373 1 5 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.753 1.577 17968 1374 1 5 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.983 -0.453 17968 1375 1 5 . 1 1 16 16 GLN N N 14 117.710 117.710 117.036 0.674 17968 1376 1 5 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.164 -0.004 17968 1377 1 5 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.664 0.466 17968 1378 1 5 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.213 0.417 17968 1379 1 5 . 1 1 16 16 GLN H H 14 7.100 7.100 7.704 -0.604 17968 1380 1 5 . 1 1 17 17 LEU N N 15 124.610 124.610 122.118 2.492 17968 1381 1 5 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.109 -0.109 17968 1382 1 5 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.786 0.844 17968 1383 1 5 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.589 0.441 17968 1384 1 5 . 1 1 17 17 LEU H H 15 8.020 8.020 7.894 0.126 17968 1385 1 5 . 1 1 18 18 CYS N N 16 117.210 117.210 117.334 -0.124 17968 1386 1 5 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.050 -0.320 17968 1387 1 5 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.295 1.534 17968 1388 1 5 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.210 0.020 17968 1389 1 5 . 1 1 18 18 CYS H H 16 8.410 8.410 7.917 0.493 17968 1390 1 5 . 1 1 19 19 THR N N 17 117.710 117.710 116.773 0.937 17968 1391 1 5 . 1 1 19 19 THR HA H 17 3.990 3.990 4.057 -0.067 17968 1392 1 5 . 1 1 19 19 THR CA C 17 66.830 66.830 66.493 0.337 17968 1393 1 5 . 1 1 19 19 THR CB C 17 68.830 68.830 68.400 0.430 17968 1394 1 5 . 1 1 19 19 THR H H 17 7.670 7.670 7.655 0.015 17968 1395 1 5 . 1 1 20 20 GLU N N 18 125.410 125.410 122.131 3.279 17968 1396 1 5 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.191 -0.131 17968 1397 1 5 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.208 0.622 17968 1398 1 5 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.667 -0.037 17968 1399 1 5 . 1 1 20 20 GLU H H 18 7.980 7.980 7.903 0.077 17968 1400 1 5 . 1 1 21 21 LEU N N 19 118.810 118.810 118.283 0.527 17968 1401 1 5 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.447 -0.157 17968 1402 1 5 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.513 -0.583 17968 1403 1 5 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.449 -0.219 17968 1404 1 5 . 1 1 21 21 LEU H H 19 7.990 7.990 7.753 0.237 17968 1405 1 5 . 1 1 22 22 GLN N N 20 118.310 118.310 115.211 3.099 17968 1406 1 5 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.025 -0.085 17968 1407 1 5 . 1 1 22 22 GLN CA C 20 56.630 56.630 56.908 -0.278 17968 1408 1 5 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.213 -0.083 17968 1409 1 5 . 1 1 22 22 GLN H H 20 7.850 7.850 7.816 0.034 17968 1410 1 5 . 1 1 23 23 THR N N 21 115.810 115.810 112.877 2.933 17968 1411 1 5 . 1 1 23 23 THR HA H 21 4.920 4.920 4.741 0.179 17968 1412 1 5 . 1 1 23 23 THR CA C 21 58.730 58.730 60.571 -1.841 17968 1413 1 5 . 1 1 23 23 THR CB C 21 70.330 70.330 70.516 -0.186 17968 1414 1 5 . 1 1 23 23 THR H H 21 8.210 8.210 8.271 -0.061 17968 1415 1 5 . 1 1 24 24 THR N N 22 112.810 112.810 113.052 -0.242 17968 1416 1 5 . 1 1 24 24 THR HA H 22 4.860 4.860 4.808 0.052 17968 1417 1 5 . 1 1 24 24 THR CA C 22 59.830 59.830 60.164 -0.334 17968 1418 1 5 . 1 1 24 24 THR CB C 22 74.030 74.030 71.386 2.643 17968 1419 1 5 . 1 1 24 24 THR H H 22 8.620 8.620 8.057 0.563 17968 1420 1 5 . 1 1 25 25 ILE N N 23 124.310 124.310 117.541 6.769 17968 1421 1 5 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.902 -0.242 17968 1422 1 5 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.126 -0.396 17968 1423 1 5 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.699 0.531 17968 1424 1 5 . 1 1 25 25 ILE H H 23 9.020 9.020 8.358 0.662 17968 1425 1 5 . 1 1 26 26 HIS N N 24 119.210 119.210 113.421 5.789 17968 1426 1 5 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.769 -0.389 17968 1427 1 5 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.730 -0.299 17968 1428 1 5 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.256 0.474 17968 1429 1 5 . 1 1 26 26 HIS H H 24 6.870 6.870 7.643 -0.773 17968 1430 1 5 . 1 1 27 27 ASP N N 25 116.510 116.510 118.201 -1.691 17968 1431 1 5 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.739 0.011 17968 1432 1 5 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.015 0.415 17968 1433 1 5 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.118 1.212 17968 1434 1 5 . 1 1 27 27 ASP H H 25 7.220 7.220 7.648 -0.428 17968 1435 1 5 . 1 1 28 28 ILE N N 26 123.310 123.310 122.367 0.943 17968 1436 1 5 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.943 -0.043 17968 1437 1 5 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.480 0.650 17968 1438 1 5 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.410 -0.480 17968 1439 1 5 . 1 1 28 28 ILE H H 26 7.690 7.690 7.635 0.055 17968 1440 1 5 . 1 1 29 29 ILE N N 27 130.910 130.910 129.261 1.649 17968 1441 1 5 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.197 0.163 17968 1442 1 5 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.752 -0.922 17968 1443 1 5 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.236 0.494 17968 1444 1 5 . 1 1 29 29 ILE H H 27 8.230 8.230 8.263 -0.033 17968 1445 1 5 . 1 1 30 30 LEU N N 28 129.310 129.310 128.614 0.696 17968 1446 1 5 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.568 0.082 17968 1447 1 5 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.751 -1.221 17968 1448 1 5 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.070 2.260 17968 1449 1 5 . 1 1 30 30 LEU H H 28 8.450 8.450 8.550 -0.100 17968 1450 1 5 . 1 1 31 31 GLU N N 29 121.810 121.810 119.769 2.041 17968 1451 1 5 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.890 -0.230 17968 1452 1 5 . 1 1 31 31 GLU CA C 29 53.730 53.730 54.431 -0.701 17968 1453 1 5 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.809 0.120 17968 1454 1 5 . 1 1 31 31 GLU H H 29 8.820 8.820 8.620 0.200 17968 1455 1 5 . 1 1 32 32 CYS N N 30 125.510 125.510 122.144 3.366 17968 1456 1 5 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.984 -0.954 17968 1457 1 5 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.638 -1.408 17968 1458 1 5 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.873 3.957 17968 1459 1 5 . 1 1 32 32 CYS H H 30 8.240 8.240 8.939 -0.699 17968 1460 1 5 . 1 1 33 33 VAL N N 31 132.310 132.310 127.187 5.123 17968 1461 1 5 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.041 0.039 17968 1462 1 5 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.803 -0.473 17968 1463 1 5 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.834 -0.204 17968 1464 1 5 . 1 1 33 33 VAL H H 31 8.880 8.880 8.475 0.405 17968 1465 1 5 . 1 1 34 34 TYR N N 32 124.210 124.210 118.681 5.529 17968 1466 1 5 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.525 -0.075 17968 1467 1 5 . 1 1 34 34 TYR CA C 32 61.030 61.030 61.401 -0.371 17968 1468 1 5 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.564 1.466 17968 1469 1 5 . 1 1 34 34 TYR H H 32 8.620 8.620 7.602 1.018 17968 1470 1 5 . 1 1 35 35 CYS N N 33 119.810 119.810 116.359 3.451 17968 1471 1 5 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.375 0.425 17968 1472 1 5 . 1 1 35 35 CYS CA C 33 59.330 59.330 60.039 -0.709 17968 1473 1 5 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.003 5.226 17968 1474 1 5 . 1 1 35 35 CYS H H 33 8.090 8.090 7.956 0.134 17968 1475 1 5 . 1 1 36 36 LYS N N 34 119.810 119.810 114.646 5.164 17968 1476 1 5 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.164 -0.004 17968 1477 1 5 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.292 0.538 17968 1478 1 5 . 1 1 36 36 LYS CB C 34 29.230 29.230 29.786 -0.556 17968 1479 1 5 . 1 1 36 36 LYS H H 34 7.870 7.870 7.955 -0.085 17968 1480 1 5 . 1 1 37 37 GLN N N 35 120.610 120.610 115.461 5.149 17968 1481 1 5 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.506 -0.136 17968 1482 1 5 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.813 0.617 17968 1483 1 5 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.637 0.093 17968 1484 1 5 . 1 1 37 37 GLN H H 35 8.250 8.250 7.877 0.373 17968 1485 1 5 . 1 1 38 38 GLN N N 36 123.610 123.610 120.575 3.035 17968 1486 1 5 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.101 0.259 17968 1487 1 5 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.325 0.505 17968 1488 1 5 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.216 0.214 17968 1489 1 5 . 1 1 38 38 GLN H H 36 8.630 8.630 8.487 0.143 17968 1490 1 5 . 1 1 39 39 LEU N N 37 131.410 131.410 124.896 6.514 17968 1491 1 5 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.388 -0.288 17968 1492 1 5 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.914 2.316 17968 1493 1 5 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.721 -0.591 17968 1494 1 5 . 1 1 39 39 LEU H H 37 8.830 8.830 8.432 0.398 17968 1495 1 5 . 1 1 40 40 LEU N N 38 126.410 126.410 123.330 3.080 17968 1496 1 5 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.484 -0.194 17968 1497 1 5 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.959 0.371 17968 1498 1 5 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.833 0.097 17968 1499 1 5 . 1 1 40 40 LEU H H 38 9.780 9.780 8.049 1.731 17968 1500 1 5 . 1 1 41 41 ARG N N 39 126.610 126.610 120.605 6.005 17968 1501 1 5 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.854 -0.404 17968 1502 1 5 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.007 -1.077 17968 1503 1 5 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.868 -2.838 17968 1504 1 5 . 1 1 41 41 ARG H H 39 8.880 8.880 8.757 0.123 17968 1505 1 5 . 1 1 42 42 ARG N N 40 116.410 116.410 117.304 -0.894 17968 1506 1 5 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.051 -0.051 17968 1507 1 5 . 1 1 42 42 ARG CA C 40 58.530 58.530 58.588 -0.058 17968 1508 1 5 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.216 3.614 17968 1509 1 5 . 1 1 42 42 ARG H H 40 8.590 8.590 8.300 0.290 17968 1510 1 5 . 1 1 43 43 GLU N N 41 117.710 117.710 120.134 -2.424 17968 1511 1 5 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.247 0.013 17968 1512 1 5 . 1 1 43 43 GLU CA C 41 58.930 58.930 59.241 -0.311 17968 1513 1 5 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.112 1.418 17968 1514 1 5 . 1 1 43 43 GLU H H 41 6.800 6.800 7.733 -0.933 17968 1515 1 5 . 1 1 44 44 VAL N N 42 124.710 124.710 120.252 4.458 17968 1516 1 5 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.692 -0.512 17968 1517 1 5 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.517 1.013 17968 1518 1 5 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.638 -0.308 17968 1519 1 5 . 1 1 44 44 VAL H H 42 7.760 7.760 7.819 -0.059 17968 1520 1 5 . 1 1 45 45 TYR N N 43 118.310 118.310 118.682 -0.372 17968 1521 1 5 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.226 -0.036 17968 1522 1 5 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.385 0.745 17968 1523 1 5 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.373 1.357 17968 1524 1 5 . 1 1 45 45 TYR H H 43 7.600 7.600 7.487 0.113 17968 1525 1 5 . 1 1 46 46 ASP N N 44 120.910 120.910 119.772 1.138 17968 1526 1 5 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.405 0.305 17968 1527 1 5 . 1 1 46 46 ASP CA C 44 58.030 58.030 56.938 1.092 17968 1528 1 5 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.681 0.149 17968 1529 1 5 . 1 1 46 46 ASP H H 44 8.660 8.660 7.766 0.894 17968 1530 1 5 . 1 1 47 47 PHE N N 45 125.310 125.310 119.964 5.346 17968 1531 1 5 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.083 -0.153 17968 1532 1 5 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.283 1.347 17968 1533 1 5 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.167 -0.137 17968 1534 1 5 . 1 1 47 47 PHE H H 45 8.250 8.250 8.319 -0.069 17968 1535 1 5 . 1 1 48 48 ALA N N 46 119.710 119.710 120.412 -0.702 17968 1536 1 5 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.152 0.348 17968 1537 1 5 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.764 0.366 17968 1538 1 5 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.709 0.021 17968 1539 1 5 . 1 1 48 48 ALA H H 46 7.790 7.790 7.530 0.260 17968 1540 1 5 . 1 1 49 49 PHE N N 47 123.210 123.210 118.167 5.043 17968 1541 1 5 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.354 0.196 17968 1542 1 5 . 1 1 49 49 PHE CA C 47 60.530 60.530 59.999 0.531 17968 1543 1 5 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.885 -0.855 17968 1544 1 5 . 1 1 49 49 PHE H H 47 9.040 9.040 7.620 1.420 17968 1545 1 5 . 1 1 50 50 ARG N N 48 119.810 119.810 119.305 0.505 17968 1546 1 5 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.412 -0.362 17968 1547 1 5 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.516 1.615 17968 1548 1 5 . 1 1 50 50 ARG CB C 48 31.030 31.030 30.927 0.103 17968 1549 1 5 . 1 1 50 50 ARG H H 48 8.100 8.100 7.460 0.640 17968 1550 1 5 . 1 1 51 51 ASP N N 49 120.910 120.910 118.339 2.571 17968 1551 1 5 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.564 -0.114 17968 1552 1 5 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.335 1.195 17968 1553 1 5 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.283 -0.353 17968 1554 1 5 . 1 1 51 51 ASP H H 49 8.010 8.010 8.378 -0.368 17968 1555 1 5 . 1 1 52 52 LEU N N 50 118.510 118.510 120.385 -1.875 17968 1556 1 5 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.254 -0.084 17968 1557 1 5 . 1 1 52 52 LEU CA C 50 54.230 54.230 55.511 -1.281 17968 1558 1 5 . 1 1 52 52 LEU CB C 50 41.230 41.230 43.094 -1.864 17968 1559 1 5 . 1 1 52 52 LEU H H 50 6.720 6.720 7.769 -1.049 17968 1560 1 5 . 1 1 53 53 CYS N N 51 117.410 117.410 119.542 -2.132 17968 1561 1 5 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.839 0.071 17968 1562 1 5 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.528 2.202 17968 1563 1 5 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.269 -1.539 17968 1564 1 5 . 1 1 53 53 CYS H H 51 8.030 8.030 8.091 -0.061 17968 1565 1 5 . 1 1 54 54 ILE N N 52 125.110 125.110 122.742 2.368 17968 1566 1 5 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.250 -0.260 17968 1567 1 5 . 1 1 54 54 ILE CA C 52 59.930 59.930 62.054 -2.124 17968 1568 1 5 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.178 -0.448 17968 1569 1 5 . 1 1 54 54 ILE H H 52 8.450 8.450 8.384 0.066 17968 1570 1 5 . 1 1 55 55 VAL N N 53 127.010 127.010 124.875 2.135 17968 1571 1 5 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.400 -0.050 17968 1572 1 5 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.269 -0.639 17968 1573 1 5 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.955 2.275 17968 1574 1 5 . 1 1 55 55 VAL H H 53 8.120 8.120 8.122 -0.002 17968 1575 1 5 . 1 1 56 56 TYR N N 54 125.010 125.010 128.654 -3.644 17968 1576 1 5 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.023 0.357 17968 1577 1 5 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.956 -0.526 17968 1578 1 5 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.856 2.174 17968 1579 1 5 . 1 1 56 56 TYR H H 54 8.710 8.710 8.678 0.032 17968 1580 1 5 . 1 1 57 57 ARG N N 55 123.810 123.810 126.348 -2.538 17968 1581 1 5 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.469 0.161 17968 1582 1 5 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.420 -0.090 17968 1583 1 5 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.994 1.836 17968 1584 1 5 . 1 1 57 57 ARG H H 55 8.860 8.860 8.254 0.606 17968 1585 1 5 . 1 1 58 58 ASP N N 56 129.110 129.110 125.891 3.219 17968 1586 1 5 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.332 -0.032 17968 1587 1 5 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.284 -0.554 17968 1588 1 5 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.276 -0.146 17968 1589 1 5 . 1 1 58 58 ASP H H 56 9.630 9.630 8.996 0.633 17968 1590 1 5 . 1 1 59 59 GLY N N 57 104.510 104.510 105.818 -1.308 17968 1591 1 5 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.603 0.027 17968 1592 1 5 . 1 1 59 59 GLY H H 57 8.710 8.710 8.373 0.337 17968 1593 1 5 . 1 1 60 60 ASN N N 58 122.110 122.110 118.723 3.387 17968 1594 1 5 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.243 0.137 17968 1595 1 5 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.179 0.151 17968 1596 1 5 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.771 -1.341 17968 1597 1 5 . 1 1 60 60 ASN H H 58 8.130 8.130 7.898 0.232 17968 1598 1 5 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.611 0.159 17968 1599 1 5 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.577 -0.547 17968 1600 1 5 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.328 3.103 17968 1601 1 5 . 1 1 62 62 TYR N N 60 119.910 119.910 125.047 -5.137 17968 1602 1 5 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.615 -0.265 17968 1603 1 5 . 1 1 62 62 TYR CA C 60 58.130 58.130 57.590 0.540 17968 1604 1 5 . 1 1 62 62 TYR CB C 60 43.430 43.430 41.176 2.254 17968 1605 1 5 . 1 1 62 62 TYR H H 60 8.580 8.580 8.067 0.513 17968 1606 1 5 . 1 1 63 63 ALA N N 61 123.710 123.710 120.552 3.158 17968 1607 1 5 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.391 -0.011 17968 1608 1 5 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.799 -0.469 17968 1609 1 5 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.549 -1.319 17968 1610 1 5 . 1 1 63 63 ALA H H 61 7.980 7.980 9.027 -1.047 17968 1611 1 5 . 1 1 64 64 VAL N N 62 120.610 120.610 118.890 1.720 17968 1612 1 5 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.294 1.186 17968 1613 1 5 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.905 0.425 17968 1614 1 5 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.061 3.169 17968 1615 1 5 . 1 1 64 64 VAL H H 62 6.330 6.330 7.757 -1.427 17968 1616 1 5 . 1 1 65 65 CYS N N 63 130.310 130.310 124.664 5.646 17968 1617 1 5 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.532 0.028 17968 1618 1 5 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.886 0.544 17968 1619 1 5 . 1 1 65 65 CYS CB C 63 31.030 31.030 27.975 3.055 17968 1620 1 5 . 1 1 65 65 CYS H H 63 9.420 9.420 8.742 0.678 17968 1621 1 5 . 1 1 66 66 ASP N N 64 121.110 121.110 121.369 -0.259 17968 1622 1 5 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.286 0.124 17968 1623 1 5 . 1 1 66 66 ASP CA C 64 58.430 58.430 58.122 0.308 17968 1624 1 5 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.734 1.796 17968 1625 1 5 . 1 1 66 66 ASP H H 64 9.040 9.040 8.849 0.191 17968 1626 1 5 . 1 1 67 67 LYS N N 65 121.910 121.910 118.239 3.671 17968 1627 1 5 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.064 -0.074 17968 1628 1 5 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.501 0.629 17968 1629 1 5 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.336 0.494 17968 1630 1 5 . 1 1 67 67 LYS H H 65 8.330 8.330 8.531 -0.201 17968 1631 1 5 . 1 1 68 68 CYS N N 66 125.510 125.510 117.645 7.865 17968 1632 1 5 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.745 -0.635 17968 1633 1 5 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.063 2.667 17968 1634 1 5 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.478 4.152 17968 1635 1 5 . 1 1 68 68 CYS H H 66 8.690 8.690 8.133 0.557 17968 1636 1 5 . 1 1 69 69 LEU N N 67 125.110 125.110 121.342 3.768 17968 1637 1 5 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.099 -0.069 17968 1638 1 5 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.018 0.612 17968 1639 1 5 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.013 0.217 17968 1640 1 5 . 1 1 69 69 LEU H H 67 8.460 8.460 8.528 -0.068 17968 1641 1 5 . 1 1 70 70 LYS N N 68 119.210 119.210 117.569 1.641 17968 1642 1 5 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.127 -0.147 17968 1643 1 5 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.392 0.638 17968 1644 1 5 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.190 0.040 17968 1645 1 5 . 1 1 70 70 LYS H H 68 7.830 7.830 7.702 0.128 17968 1646 1 5 . 1 1 71 71 PHE N N 69 121.710 121.710 117.977 3.733 17968 1647 1 5 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.357 -0.087 17968 1648 1 5 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.902 0.228 17968 1649 1 5 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.207 0.223 17968 1650 1 5 . 1 1 71 71 PHE H H 69 7.810 7.810 7.538 0.272 17968 1651 1 6 . 1 1 4 4 PHE N N 2 122.310 122.310 122.934 -0.624 17968 1652 1 6 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.899 -0.279 17968 1653 1 6 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.830 -1.500 17968 1654 1 6 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.621 -2.191 17968 1655 1 6 . 1 1 4 4 PHE H H 2 8.370 8.370 8.618 -0.248 17968 1656 1 6 . 1 1 5 5 GLN N N 3 123.510 123.510 122.994 0.516 17968 1657 1 6 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.480 -0.290 17968 1658 1 6 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.817 2.213 17968 1659 1 6 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.237 -0.307 17968 1660 1 6 . 1 1 5 5 GLN H H 3 8.250 8.250 7.789 0.461 17968 1661 1 6 . 1 1 6 6 ASP N N 4 125.010 125.010 120.127 4.883 17968 1662 1 6 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.582 0.258 17968 1663 1 6 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.249 -1.219 17968 1664 1 6 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.349 0.381 17968 1665 1 6 . 1 1 6 6 ASP H H 4 8.410 8.410 8.333 0.077 17968 1666 1 6 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.308 -0.188 17968 1667 1 6 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.517 0.613 17968 1668 1 6 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.447 -0.117 17968 1669 1 6 . 1 1 8 8 GLN N N 6 119.710 119.710 118.583 1.127 17968 1670 1 6 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.128 0.022 17968 1671 1 6 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.249 0.381 17968 1672 1 6 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.636 1.694 17968 1673 1 6 . 1 1 8 8 GLN H H 6 8.430 8.430 7.518 0.912 17968 1674 1 6 . 1 1 9 9 GLU N N 7 122.110 122.110 124.563 -2.453 17968 1675 1 6 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.278 -0.098 17968 1676 1 6 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.439 0.691 17968 1677 1 6 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.622 -0.092 17968 1678 1 6 . 1 1 9 9 GLU H H 7 7.940 7.940 9.361 -1.421 17968 1679 1 6 . 1 1 10 10 ARG N N 8 123.410 123.410 116.409 7.001 17968 1680 1 6 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.274 0.136 17968 1681 1 6 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.743 -1.613 17968 1682 1 6 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.449 1.881 17968 1683 1 6 . 1 1 10 10 ARG H H 8 7.670 7.670 8.698 -1.028 17968 1684 1 6 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.657 -0.317 17968 1685 1 6 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.310 1.220 17968 1686 1 6 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.718 -0.088 17968 1687 1 6 . 1 1 12 12 ARG N N 10 123.810 123.810 118.665 5.145 17968 1688 1 6 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.700 -0.040 17968 1689 1 6 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.898 0.932 17968 1690 1 6 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.785 1.745 17968 1691 1 6 . 1 1 12 12 ARG H H 10 8.700 8.700 8.806 -0.106 17968 1692 1 6 . 1 1 13 13 LYS N N 11 118.310 118.310 120.273 -1.963 17968 1693 1 6 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.747 0.303 17968 1694 1 6 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.541 -0.311 17968 1695 1 6 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.161 2.469 17968 1696 1 6 . 1 1 13 13 LYS H H 11 7.810 7.810 7.759 0.051 17968 1697 1 6 . 1 1 14 14 LEU N N 12 124.810 124.810 128.746 -3.936 17968 1698 1 6 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.242 -0.092 17968 1699 1 6 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.851 -0.221 17968 1700 1 6 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.903 0.627 17968 1701 1 6 . 1 1 14 14 LEU H H 12 10.210 10.210 9.256 0.954 17968 1702 1 6 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.080 0.090 17968 1703 1 6 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.856 1.474 17968 1704 1 6 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.998 -0.468 17968 1705 1 6 . 1 1 16 16 GLN N N 14 117.710 117.710 116.828 0.882 17968 1706 1 6 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.167 -0.007 17968 1707 1 6 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.324 0.806 17968 1708 1 6 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.640 -0.010 17968 1709 1 6 . 1 1 16 16 GLN H H 14 7.100 7.100 7.564 -0.464 17968 1710 1 6 . 1 1 17 17 LEU N N 15 124.610 124.610 122.348 2.262 17968 1711 1 6 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.167 -0.167 17968 1712 1 6 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.942 0.688 17968 1713 1 6 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.704 0.326 17968 1714 1 6 . 1 1 17 17 LEU H H 15 8.020 8.020 7.978 0.042 17968 1715 1 6 . 1 1 18 18 CYS N N 16 117.210 117.210 116.643 0.567 17968 1716 1 6 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.095 -0.365 17968 1717 1 6 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.560 1.270 17968 1718 1 6 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.344 -0.114 17968 1719 1 6 . 1 1 18 18 CYS H H 16 8.410 8.410 8.376 0.034 17968 1720 1 6 . 1 1 19 19 THR N N 17 117.710 117.710 115.770 1.940 17968 1721 1 6 . 1 1 19 19 THR HA H 17 3.990 3.990 4.129 -0.139 17968 1722 1 6 . 1 1 19 19 THR CA C 17 66.830 66.830 66.453 0.377 17968 1723 1 6 . 1 1 19 19 THR CB C 17 68.830 68.830 68.331 0.499 17968 1724 1 6 . 1 1 19 19 THR H H 17 7.670 7.670 7.609 0.061 17968 1725 1 6 . 1 1 20 20 GLU N N 18 125.410 125.410 121.111 4.299 17968 1726 1 6 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.153 -0.093 17968 1727 1 6 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.142 0.689 17968 1728 1 6 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.626 0.004 17968 1729 1 6 . 1 1 20 20 GLU H H 18 7.980 7.980 7.740 0.240 17968 1730 1 6 . 1 1 21 21 LEU N N 19 118.810 118.810 118.659 0.151 17968 1731 1 6 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.349 -0.059 17968 1732 1 6 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.887 -0.957 17968 1733 1 6 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.650 -0.420 17968 1734 1 6 . 1 1 21 21 LEU H H 19 7.990 7.990 8.005 -0.015 17968 1735 1 6 . 1 1 22 22 GLN N N 20 118.310 118.310 116.490 1.820 17968 1736 1 6 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.018 -0.078 17968 1737 1 6 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.132 -0.502 17968 1738 1 6 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.397 -0.267 17968 1739 1 6 . 1 1 22 22 GLN H H 20 7.850 7.850 7.568 0.282 17968 1740 1 6 . 1 1 23 23 THR N N 21 115.810 115.810 113.409 2.401 17968 1741 1 6 . 1 1 23 23 THR HA H 21 4.920 4.920 4.782 0.138 17968 1742 1 6 . 1 1 23 23 THR CA C 21 58.730 58.730 61.005 -2.275 17968 1743 1 6 . 1 1 23 23 THR CB C 21 70.330 70.330 70.591 -0.261 17968 1744 1 6 . 1 1 23 23 THR H H 21 8.210 8.210 8.521 -0.311 17968 1745 1 6 . 1 1 24 24 THR N N 22 112.810 112.810 112.752 0.058 17968 1746 1 6 . 1 1 24 24 THR HA H 22 4.860 4.860 4.774 0.086 17968 1747 1 6 . 1 1 24 24 THR CA C 22 59.830 59.830 59.680 0.150 17968 1748 1 6 . 1 1 24 24 THR CB C 22 74.030 74.030 70.757 3.273 17968 1749 1 6 . 1 1 24 24 THR H H 22 8.620 8.620 8.038 0.582 17968 1750 1 6 . 1 1 25 25 ILE N N 23 124.310 124.310 118.683 5.627 17968 1751 1 6 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.768 -0.108 17968 1752 1 6 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.157 -0.427 17968 1753 1 6 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.812 0.418 17968 1754 1 6 . 1 1 25 25 ILE H H 23 9.020 9.020 8.360 0.660 17968 1755 1 6 . 1 1 26 26 HIS N N 24 119.210 119.210 112.790 6.420 17968 1756 1 6 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.690 -0.310 17968 1757 1 6 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.266 0.165 17968 1758 1 6 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.509 1.221 17968 1759 1 6 . 1 1 26 26 HIS H H 24 6.870 6.870 7.442 -0.572 17968 1760 1 6 . 1 1 27 27 ASP N N 25 116.510 116.510 119.073 -2.563 17968 1761 1 6 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.681 0.069 17968 1762 1 6 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.386 0.044 17968 1763 1 6 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.128 1.202 17968 1764 1 6 . 1 1 27 27 ASP H H 25 7.220 7.220 7.621 -0.401 17968 1765 1 6 . 1 1 28 28 ILE N N 26 123.310 123.310 122.576 0.734 17968 1766 1 6 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.955 -0.055 17968 1767 1 6 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.536 0.594 17968 1768 1 6 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.440 -0.510 17968 1769 1 6 . 1 1 28 28 ILE H H 26 7.690 7.690 7.709 -0.019 17968 1770 1 6 . 1 1 29 29 ILE N N 27 130.910 130.910 129.699 1.211 17968 1771 1 6 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.218 0.142 17968 1772 1 6 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.004 -0.174 17968 1773 1 6 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.267 0.463 17968 1774 1 6 . 1 1 29 29 ILE H H 27 8.230 8.230 8.152 0.078 17968 1775 1 6 . 1 1 30 30 LEU N N 28 129.310 129.310 128.356 0.954 17968 1776 1 6 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.458 0.192 17968 1777 1 6 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.670 -1.140 17968 1778 1 6 . 1 1 30 30 LEU CB C 28 48.330 48.330 44.936 3.394 17968 1779 1 6 . 1 1 30 30 LEU H H 28 8.450 8.450 8.418 0.032 17968 1780 1 6 . 1 1 31 31 GLU N N 29 121.810 121.810 120.675 1.135 17968 1781 1 6 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.936 -0.276 17968 1782 1 6 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.953 -0.223 17968 1783 1 6 . 1 1 31 31 GLU CB C 29 32.930 32.930 33.067 -0.137 17968 1784 1 6 . 1 1 31 31 GLU H H 29 8.820 8.820 8.674 0.146 17968 1785 1 6 . 1 1 32 32 CYS N N 30 125.510 125.510 124.075 1.435 17968 1786 1 6 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.979 -0.949 17968 1787 1 6 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.271 -1.041 17968 1788 1 6 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.633 4.197 17968 1789 1 6 . 1 1 32 32 CYS H H 30 8.240 8.240 8.860 -0.620 17968 1790 1 6 . 1 1 33 33 VAL N N 31 132.310 132.310 128.042 4.268 17968 1791 1 6 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.442 -0.362 17968 1792 1 6 . 1 1 33 33 VAL CA C 31 64.330 64.330 63.988 0.342 17968 1793 1 6 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.094 -0.464 17968 1794 1 6 . 1 1 33 33 VAL H H 31 8.880 8.880 8.279 0.601 17968 1795 1 6 . 1 1 34 34 TYR N N 32 124.210 124.210 119.348 4.862 17968 1796 1 6 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.393 0.057 17968 1797 1 6 . 1 1 34 34 TYR CA C 32 61.030 61.030 61.985 -0.955 17968 1798 1 6 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.268 1.762 17968 1799 1 6 . 1 1 34 34 TYR H H 32 8.620 8.620 7.517 1.103 17968 1800 1 6 . 1 1 35 35 CYS N N 33 119.810 119.810 112.588 7.222 17968 1801 1 6 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.447 0.353 17968 1802 1 6 . 1 1 35 35 CYS CA C 33 59.330 59.330 57.934 1.396 17968 1803 1 6 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.064 5.166 17968 1804 1 6 . 1 1 35 35 CYS H H 33 8.090 8.090 7.711 0.379 17968 1805 1 6 . 1 1 36 36 LYS N N 34 119.810 119.810 118.712 1.098 17968 1806 1 6 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.019 0.141 17968 1807 1 6 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.854 0.976 17968 1808 1 6 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.533 -1.303 17968 1809 1 6 . 1 1 36 36 LYS H H 34 7.870 7.870 8.172 -0.302 17968 1810 1 6 . 1 1 37 37 GLN N N 35 120.610 120.610 117.568 3.042 17968 1811 1 6 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.535 -0.165 17968 1812 1 6 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.614 0.817 17968 1813 1 6 . 1 1 37 37 GLN CB C 35 29.730 29.730 31.344 -1.614 17968 1814 1 6 . 1 1 37 37 GLN H H 35 8.250 8.250 8.052 0.198 17968 1815 1 6 . 1 1 38 38 GLN N N 36 123.610 123.610 123.040 0.570 17968 1816 1 6 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.384 -0.024 17968 1817 1 6 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.478 0.352 17968 1818 1 6 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.961 0.469 17968 1819 1 6 . 1 1 38 38 GLN H H 36 8.630 8.630 8.581 0.049 17968 1820 1 6 . 1 1 39 39 LEU N N 37 131.410 131.410 127.314 4.096 17968 1821 1 6 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.358 -0.258 17968 1822 1 6 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.648 2.582 17968 1823 1 6 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.616 -0.486 17968 1824 1 6 . 1 1 39 39 LEU H H 37 8.830 8.830 8.885 -0.055 17968 1825 1 6 . 1 1 40 40 LEU N N 38 126.410 126.410 122.249 4.161 17968 1826 1 6 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.378 -0.088 17968 1827 1 6 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.142 0.188 17968 1828 1 6 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.947 -1.016 17968 1829 1 6 . 1 1 40 40 LEU H H 38 9.780 9.780 8.516 1.264 17968 1830 1 6 . 1 1 41 41 ARG N N 39 126.610 126.610 122.180 4.430 17968 1831 1 6 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.663 -0.213 17968 1832 1 6 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.010 -1.080 17968 1833 1 6 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.357 -2.327 17968 1834 1 6 . 1 1 41 41 ARG H H 39 8.880 8.880 8.673 0.207 17968 1835 1 6 . 1 1 42 42 ARG N N 40 116.410 116.410 119.643 -3.233 17968 1836 1 6 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.029 -0.029 17968 1837 1 6 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.288 -0.758 17968 1838 1 6 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.857 2.974 17968 1839 1 6 . 1 1 42 42 ARG H H 40 8.590 8.590 8.491 0.099 17968 1840 1 6 . 1 1 43 43 GLU N N 41 117.710 117.710 118.075 -0.365 17968 1841 1 6 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.271 -0.011 17968 1842 1 6 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.222 0.708 17968 1843 1 6 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.449 1.081 17968 1844 1 6 . 1 1 43 43 GLU H H 41 6.800 6.800 7.817 -1.017 17968 1845 1 6 . 1 1 44 44 VAL N N 42 124.710 124.710 120.955 3.755 17968 1846 1 6 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.618 -0.438 17968 1847 1 6 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.605 0.925 17968 1848 1 6 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.488 -0.158 17968 1849 1 6 . 1 1 44 44 VAL H H 42 7.760 7.760 7.894 -0.134 17968 1850 1 6 . 1 1 45 45 TYR N N 43 118.310 118.310 117.985 0.325 17968 1851 1 6 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.303 -0.113 17968 1852 1 6 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.154 -0.024 17968 1853 1 6 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.320 1.410 17968 1854 1 6 . 1 1 45 45 TYR H H 43 7.600 7.600 8.050 -0.450 17968 1855 1 6 . 1 1 46 46 ASP N N 44 120.910 120.910 120.199 0.711 17968 1856 1 6 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.507 0.203 17968 1857 1 6 . 1 1 46 46 ASP CA C 44 58.030 58.030 56.806 1.224 17968 1858 1 6 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.563 0.267 17968 1859 1 6 . 1 1 46 46 ASP H H 44 8.660 8.660 7.806 0.854 17968 1860 1 6 . 1 1 47 47 PHE N N 45 125.310 125.310 119.987 5.323 17968 1861 1 6 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.211 -0.281 17968 1862 1 6 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.402 1.228 17968 1863 1 6 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.350 -0.320 17968 1864 1 6 . 1 1 47 47 PHE H H 45 8.250 8.250 7.853 0.397 17968 1865 1 6 . 1 1 48 48 ALA N N 46 119.710 119.710 120.869 -1.159 17968 1866 1 6 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.296 0.204 17968 1867 1 6 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.627 0.503 17968 1868 1 6 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.750 -0.020 17968 1869 1 6 . 1 1 48 48 ALA H H 46 7.790 7.790 7.496 0.294 17968 1870 1 6 . 1 1 49 49 PHE N N 47 123.210 123.210 117.915 5.295 17968 1871 1 6 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.349 0.201 17968 1872 1 6 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.625 -0.095 17968 1873 1 6 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.690 -0.660 17968 1874 1 6 . 1 1 49 49 PHE H H 47 9.040 9.040 7.984 1.056 17968 1875 1 6 . 1 1 50 50 ARG N N 48 119.810 119.810 118.229 1.581 17968 1876 1 6 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.529 -0.479 17968 1877 1 6 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.082 3.048 17968 1878 1 6 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.976 -0.946 17968 1879 1 6 . 1 1 50 50 ARG H H 48 8.100 8.100 7.519 0.581 17968 1880 1 6 . 1 1 51 51 ASP N N 49 120.910 120.910 121.967 -1.057 17968 1881 1 6 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.601 -0.151 17968 1882 1 6 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.245 0.285 17968 1883 1 6 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.795 0.135 17968 1884 1 6 . 1 1 51 51 ASP H H 49 8.010 8.010 8.639 -0.629 17968 1885 1 6 . 1 1 52 52 LEU N N 50 118.510 118.510 124.312 -5.802 17968 1886 1 6 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.677 -0.507 17968 1887 1 6 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.389 0.841 17968 1888 1 6 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.363 -4.133 17968 1889 1 6 . 1 1 52 52 LEU H H 50 6.720 6.720 7.606 -0.886 17968 1890 1 6 . 1 1 53 53 CYS N N 51 117.410 117.410 117.707 -0.297 17968 1891 1 6 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.509 -0.599 17968 1892 1 6 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.786 0.944 17968 1893 1 6 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.913 -2.183 17968 1894 1 6 . 1 1 53 53 CYS H H 51 8.030 8.030 8.394 -0.364 17968 1895 1 6 . 1 1 54 54 ILE N N 52 125.110 125.110 123.852 1.258 17968 1896 1 6 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.211 -0.221 17968 1897 1 6 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.752 -1.823 17968 1898 1 6 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.511 -0.781 17968 1899 1 6 . 1 1 54 54 ILE H H 52 8.450 8.450 8.416 0.034 17968 1900 1 6 . 1 1 55 55 VAL N N 53 127.010 127.010 121.946 5.064 17968 1901 1 6 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.525 -0.175 17968 1902 1 6 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.688 -0.058 17968 1903 1 6 . 1 1 55 55 VAL CB C 53 34.230 34.230 33.389 0.841 17968 1904 1 6 . 1 1 55 55 VAL H H 53 8.120 8.120 8.046 0.074 17968 1905 1 6 . 1 1 56 56 TYR N N 54 125.010 125.010 124.591 0.419 17968 1906 1 6 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.122 0.258 17968 1907 1 6 . 1 1 56 56 TYR CA C 54 57.430 57.430 56.822 0.608 17968 1908 1 6 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.520 1.510 17968 1909 1 6 . 1 1 56 56 TYR H H 54 8.710 8.710 8.651 0.059 17968 1910 1 6 . 1 1 57 57 ARG N N 55 123.810 123.810 126.207 -2.397 17968 1911 1 6 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.388 0.242 17968 1912 1 6 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.843 -0.513 17968 1913 1 6 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.352 2.478 17968 1914 1 6 . 1 1 57 57 ARG H H 55 8.860 8.860 8.354 0.506 17968 1915 1 6 . 1 1 58 58 ASP N N 56 129.110 129.110 126.068 3.042 17968 1916 1 6 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.319 -0.019 17968 1917 1 6 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.124 -0.394 17968 1918 1 6 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.173 -0.043 17968 1919 1 6 . 1 1 58 58 ASP H H 56 9.630 9.630 8.833 0.797 17968 1920 1 6 . 1 1 59 59 GLY N N 57 104.510 104.510 106.644 -2.134 17968 1921 1 6 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.488 0.142 17968 1922 1 6 . 1 1 59 59 GLY H H 57 8.710 8.710 8.353 0.357 17968 1923 1 6 . 1 1 60 60 ASN N N 58 122.110 122.110 118.211 3.899 17968 1924 1 6 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.115 0.265 17968 1925 1 6 . 1 1 60 60 ASN CA C 58 50.330 50.330 49.747 0.583 17968 1926 1 6 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.325 -0.895 17968 1927 1 6 . 1 1 60 60 ASN H H 58 8.130 8.130 7.630 0.500 17968 1928 1 6 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.174 0.596 17968 1929 1 6 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.485 -0.455 17968 1930 1 6 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.815 2.615 17968 1931 1 6 . 1 1 62 62 TYR N N 60 119.910 119.910 123.799 -3.889 17968 1932 1 6 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.688 -0.338 17968 1933 1 6 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.316 1.814 17968 1934 1 6 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.591 0.839 17968 1935 1 6 . 1 1 62 62 TYR H H 60 8.580 8.580 8.257 0.323 17968 1936 1 6 . 1 1 63 63 ALA N N 61 123.710 123.710 120.995 2.715 17968 1937 1 6 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.471 -0.091 17968 1938 1 6 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.778 -0.448 17968 1939 1 6 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.310 -1.080 17968 1940 1 6 . 1 1 63 63 ALA H H 61 7.980 7.980 8.920 -0.940 17968 1941 1 6 . 1 1 64 64 VAL N N 62 120.610 120.610 117.349 3.261 17968 1942 1 6 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.507 0.973 17968 1943 1 6 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.777 0.553 17968 1944 1 6 . 1 1 64 64 VAL CB C 62 36.230 36.230 34.005 2.225 17968 1945 1 6 . 1 1 64 64 VAL H H 62 6.330 6.330 8.297 -1.967 17968 1946 1 6 . 1 1 65 65 CYS N N 63 130.310 130.310 123.746 6.564 17968 1947 1 6 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.626 -0.066 17968 1948 1 6 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.633 0.797 17968 1949 1 6 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.362 1.668 17968 1950 1 6 . 1 1 65 65 CYS H H 63 9.420 9.420 8.606 0.814 17968 1951 1 6 . 1 1 66 66 ASP N N 64 121.110 121.110 121.028 0.082 17968 1952 1 6 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.309 0.101 17968 1953 1 6 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.714 0.716 17968 1954 1 6 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.112 1.418 17968 1955 1 6 . 1 1 66 66 ASP H H 64 9.040 9.040 9.136 -0.096 17968 1956 1 6 . 1 1 67 67 LYS N N 65 121.910 121.910 118.811 3.099 17968 1957 1 6 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.307 -0.317 17968 1958 1 6 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.470 0.660 17968 1959 1 6 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.433 0.397 17968 1960 1 6 . 1 1 67 67 LYS H H 65 8.330 8.330 8.310 0.020 17968 1961 1 6 . 1 1 68 68 CYS N N 66 125.510 125.510 119.031 6.479 17968 1962 1 6 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.437 -0.327 17968 1963 1 6 . 1 1 68 68 CYS CA C 66 63.730 63.730 60.880 2.850 17968 1964 1 6 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.714 4.916 17968 1965 1 6 . 1 1 68 68 CYS H H 66 8.690 8.690 7.855 0.835 17968 1966 1 6 . 1 1 69 69 LEU N N 67 125.110 125.110 121.941 3.169 17968 1967 1 6 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.140 -0.110 17968 1968 1 6 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.276 0.354 17968 1969 1 6 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.101 0.129 17968 1970 1 6 . 1 1 69 69 LEU H H 67 8.460 8.460 8.422 0.038 17968 1971 1 6 . 1 1 70 70 LYS N N 68 119.210 119.210 117.309 1.901 17968 1972 1 6 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.198 -0.218 17968 1973 1 6 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.504 1.526 17968 1974 1 6 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.218 0.012 17968 1975 1 6 . 1 1 70 70 LYS H H 68 7.830 7.830 7.658 0.172 17968 1976 1 6 . 1 1 71 71 PHE N N 69 121.710 121.710 119.221 2.489 17968 1977 1 6 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.236 0.034 17968 1978 1 6 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.674 -0.544 17968 1979 1 6 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.580 -0.150 17968 1980 1 6 . 1 1 71 71 PHE H H 69 7.810 7.810 7.839 -0.029 17968 1981 1 7 . 1 1 4 4 PHE N N 2 122.310 122.310 124.457 -2.147 17968 1982 1 7 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.896 -0.276 17968 1983 1 7 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.581 -0.251 17968 1984 1 7 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.203 -0.773 17968 1985 1 7 . 1 1 4 4 PHE H H 2 8.370 8.370 9.148 -0.778 17968 1986 1 7 . 1 1 5 5 GLN N N 3 123.510 123.510 123.353 0.157 17968 1987 1 7 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.485 -0.295 17968 1988 1 7 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.464 2.566 17968 1989 1 7 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.902 0.028 17968 1990 1 7 . 1 1 5 5 GLN H H 3 8.250 8.250 7.907 0.343 17968 1991 1 7 . 1 1 6 6 ASP N N 4 125.010 125.010 120.119 4.891 17968 1992 1 7 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.406 0.434 17968 1993 1 7 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.757 -1.727 17968 1994 1 7 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.189 0.541 17968 1995 1 7 . 1 1 6 6 ASP H H 4 8.410 8.410 8.376 0.034 17968 1996 1 7 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.413 -0.293 17968 1997 1 7 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.999 1.131 17968 1998 1 7 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.128 0.202 17968 1999 1 7 . 1 1 8 8 GLN N N 6 119.710 119.710 118.527 1.183 17968 2000 1 7 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.210 -0.060 17968 2001 1 7 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.867 0.763 17968 2002 1 7 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.007 1.323 17968 2003 1 7 . 1 1 8 8 GLN H H 6 8.430 8.430 7.386 1.044 17968 2004 1 7 . 1 1 9 9 GLU N N 7 122.110 122.110 124.636 -2.526 17968 2005 1 7 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.134 0.046 17968 2006 1 7 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.197 -0.067 17968 2007 1 7 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.380 0.150 17968 2008 1 7 . 1 1 9 9 GLU H H 7 7.940 7.940 9.050 -1.110 17968 2009 1 7 . 1 1 10 10 ARG N N 8 123.410 123.410 115.705 7.705 17968 2010 1 7 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.183 0.227 17968 2011 1 7 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.610 -1.480 17968 2012 1 7 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.073 2.257 17968 2013 1 7 . 1 1 10 10 ARG H H 8 7.670 7.670 8.819 -1.149 17968 2014 1 7 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.589 -0.249 17968 2015 1 7 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.871 0.659 17968 2016 1 7 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.587 0.043 17968 2017 1 7 . 1 1 12 12 ARG N N 10 123.810 123.810 118.890 4.920 17968 2018 1 7 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.675 -0.015 17968 2019 1 7 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.977 0.853 17968 2020 1 7 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.871 1.659 17968 2021 1 7 . 1 1 12 12 ARG H H 10 8.700 8.700 8.883 -0.183 17968 2022 1 7 . 1 1 13 13 LYS N N 11 118.310 118.310 119.610 -1.300 17968 2023 1 7 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.863 0.187 17968 2024 1 7 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.630 -0.400 17968 2025 1 7 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.020 1.610 17968 2026 1 7 . 1 1 13 13 LYS H H 11 7.810 7.810 7.763 0.047 17968 2027 1 7 . 1 1 14 14 LEU N N 12 124.810 124.810 128.148 -3.338 17968 2028 1 7 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.181 -0.031 17968 2029 1 7 . 1 1 14 14 LEU CA C 12 59.630 59.630 60.189 -0.559 17968 2030 1 7 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.957 0.573 17968 2031 1 7 . 1 1 14 14 LEU H H 12 10.210 10.210 9.318 0.892 17968 2032 1 7 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.151 0.019 17968 2033 1 7 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.799 1.531 17968 2034 1 7 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.999 -0.469 17968 2035 1 7 . 1 1 16 16 GLN N N 14 117.710 117.710 117.067 0.643 17968 2036 1 7 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.156 0.004 17968 2037 1 7 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.365 0.765 17968 2038 1 7 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.778 -0.148 17968 2039 1 7 . 1 1 16 16 GLN H H 14 7.100 7.100 7.597 -0.497 17968 2040 1 7 . 1 1 17 17 LEU N N 15 124.610 124.610 122.176 2.434 17968 2041 1 7 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.150 -0.150 17968 2042 1 7 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.779 0.851 17968 2043 1 7 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.637 0.393 17968 2044 1 7 . 1 1 17 17 LEU H H 15 8.020 8.020 7.830 0.190 17968 2045 1 7 . 1 1 18 18 CYS N N 16 117.210 117.210 116.342 0.868 17968 2046 1 7 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.049 -0.319 17968 2047 1 7 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.577 1.253 17968 2048 1 7 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.935 0.295 17968 2049 1 7 . 1 1 18 18 CYS H H 16 8.410 8.410 8.340 0.070 17968 2050 1 7 . 1 1 19 19 THR N N 17 117.710 117.710 115.464 2.246 17968 2051 1 7 . 1 1 19 19 THR HA H 17 3.990 3.990 4.141 -0.151 17968 2052 1 7 . 1 1 19 19 THR CA C 17 66.830 66.830 66.653 0.177 17968 2053 1 7 . 1 1 19 19 THR CB C 17 68.830 68.830 68.528 0.302 17968 2054 1 7 . 1 1 19 19 THR H H 17 7.670 7.670 7.637 0.033 17968 2055 1 7 . 1 1 20 20 GLU N N 18 125.410 125.410 120.682 4.728 17968 2056 1 7 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.202 -0.142 17968 2057 1 7 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.058 0.772 17968 2058 1 7 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.693 -0.063 17968 2059 1 7 . 1 1 20 20 GLU H H 18 7.980 7.980 7.541 0.439 17968 2060 1 7 . 1 1 21 21 LEU N N 19 118.810 118.810 117.803 1.007 17968 2061 1 7 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.490 -0.200 17968 2062 1 7 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.981 -0.051 17968 2063 1 7 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.527 -0.297 17968 2064 1 7 . 1 1 21 21 LEU H H 19 7.990 7.990 8.129 -0.139 17968 2065 1 7 . 1 1 22 22 GLN N N 20 118.310 118.310 117.174 1.136 17968 2066 1 7 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.095 -0.155 17968 2067 1 7 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.122 -0.492 17968 2068 1 7 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.360 -0.230 17968 2069 1 7 . 1 1 22 22 GLN H H 20 7.850 7.850 7.633 0.217 17968 2070 1 7 . 1 1 23 23 THR N N 21 115.810 115.810 112.894 2.916 17968 2071 1 7 . 1 1 23 23 THR HA H 21 4.920 4.920 4.649 0.271 17968 2072 1 7 . 1 1 23 23 THR CA C 21 58.730 58.730 60.522 -1.792 17968 2073 1 7 . 1 1 23 23 THR CB C 21 70.330 70.330 70.489 -0.159 17968 2074 1 7 . 1 1 23 23 THR H H 21 8.210 8.210 8.648 -0.438 17968 2075 1 7 . 1 1 24 24 THR N N 22 112.810 112.810 112.636 0.174 17968 2076 1 7 . 1 1 24 24 THR HA H 22 4.860 4.860 4.839 0.021 17968 2077 1 7 . 1 1 24 24 THR CA C 22 59.830 59.830 59.856 -0.026 17968 2078 1 7 . 1 1 24 24 THR CB C 22 74.030 74.030 71.417 2.613 17968 2079 1 7 . 1 1 24 24 THR H H 22 8.620 8.620 7.968 0.652 17968 2080 1 7 . 1 1 25 25 ILE N N 23 124.310 124.310 118.837 5.473 17968 2081 1 7 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.790 -0.130 17968 2082 1 7 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.309 -0.579 17968 2083 1 7 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.778 0.452 17968 2084 1 7 . 1 1 25 25 ILE H H 23 9.020 9.020 8.781 0.239 17968 2085 1 7 . 1 1 26 26 HIS N N 24 119.210 119.210 113.902 5.308 17968 2086 1 7 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.663 -0.283 17968 2087 1 7 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.068 -0.638 17968 2088 1 7 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.326 0.404 17968 2089 1 7 . 1 1 26 26 HIS H H 24 6.870 6.870 8.078 -1.208 17968 2090 1 7 . 1 1 27 27 ASP N N 25 116.510 116.510 117.812 -1.302 17968 2091 1 7 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.676 0.074 17968 2092 1 7 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.187 0.243 17968 2093 1 7 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.237 1.093 17968 2094 1 7 . 1 1 27 27 ASP H H 25 7.220 7.220 7.709 -0.489 17968 2095 1 7 . 1 1 28 28 ILE N N 26 123.310 123.310 122.295 1.015 17968 2096 1 7 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.905 -0.005 17968 2097 1 7 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.702 0.428 17968 2098 1 7 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.350 -0.420 17968 2099 1 7 . 1 1 28 28 ILE H H 26 7.690 7.690 8.019 -0.329 17968 2100 1 7 . 1 1 29 29 ILE N N 27 130.910 130.910 128.817 2.093 17968 2101 1 7 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.220 0.140 17968 2102 1 7 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.224 -0.394 17968 2103 1 7 . 1 1 29 29 ILE CB C 27 37.730 37.730 38.450 -0.720 17968 2104 1 7 . 1 1 29 29 ILE H H 27 8.230 8.230 8.169 0.061 17968 2105 1 7 . 1 1 30 30 LEU N N 28 129.310 129.310 129.124 0.186 17968 2106 1 7 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.604 0.046 17968 2107 1 7 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.187 -0.657 17968 2108 1 7 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.056 2.274 17968 2109 1 7 . 1 1 30 30 LEU H H 28 8.450 8.450 8.657 -0.207 17968 2110 1 7 . 1 1 31 31 GLU N N 29 121.810 121.810 117.976 3.834 17968 2111 1 7 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.219 -0.559 17968 2112 1 7 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.415 0.315 17968 2113 1 7 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.982 0.948 17968 2114 1 7 . 1 1 31 31 GLU H H 29 8.820 8.820 8.304 0.516 17968 2115 1 7 . 1 1 32 32 CYS N N 30 125.510 125.510 121.955 3.555 17968 2116 1 7 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.979 -0.949 17968 2117 1 7 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.527 -1.297 17968 2118 1 7 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.792 4.038 17968 2119 1 7 . 1 1 32 32 CYS H H 30 8.240 8.240 8.789 -0.549 17968 2120 1 7 . 1 1 33 33 VAL N N 31 132.310 132.310 127.738 4.572 17968 2121 1 7 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.133 -0.053 17968 2122 1 7 . 1 1 33 33 VAL CA C 31 64.330 64.330 65.159 -0.829 17968 2123 1 7 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.870 -0.240 17968 2124 1 7 . 1 1 33 33 VAL H H 31 8.880 8.880 8.543 0.337 17968 2125 1 7 . 1 1 34 34 TYR N N 32 124.210 124.210 115.319 8.891 17968 2126 1 7 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.552 -0.102 17968 2127 1 7 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.024 1.006 17968 2128 1 7 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.366 0.664 17968 2129 1 7 . 1 1 34 34 TYR H H 32 8.620 8.620 7.337 1.283 17968 2130 1 7 . 1 1 35 35 CYS N N 33 119.810 119.810 115.525 4.285 17968 2131 1 7 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.361 0.439 17968 2132 1 7 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.769 -0.439 17968 2133 1 7 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.139 5.091 17968 2134 1 7 . 1 1 35 35 CYS H H 33 8.090 8.090 7.820 0.270 17968 2135 1 7 . 1 1 36 36 LYS N N 34 119.810 119.810 116.072 3.738 17968 2136 1 7 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.221 -0.061 17968 2137 1 7 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.331 0.499 17968 2138 1 7 . 1 1 36 36 LYS CB C 34 29.230 29.230 31.360 -2.130 17968 2139 1 7 . 1 1 36 36 LYS H H 34 7.870 7.870 7.712 0.158 17968 2140 1 7 . 1 1 37 37 GLN N N 35 120.610 120.610 116.385 4.225 17968 2141 1 7 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.421 -0.051 17968 2142 1 7 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.196 0.235 17968 2143 1 7 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.610 0.120 17968 2144 1 7 . 1 1 37 37 GLN H H 35 8.250 8.250 7.989 0.261 17968 2145 1 7 . 1 1 38 38 GLN N N 36 123.610 123.610 121.098 2.512 17968 2146 1 7 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.255 0.105 17968 2147 1 7 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.303 0.527 17968 2148 1 7 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.081 0.349 17968 2149 1 7 . 1 1 38 38 GLN H H 36 8.630 8.630 8.540 0.090 17968 2150 1 7 . 1 1 39 39 LEU N N 37 131.410 131.410 127.625 3.785 17968 2151 1 7 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.409 -0.309 17968 2152 1 7 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.338 2.892 17968 2153 1 7 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.116 0.014 17968 2154 1 7 . 1 1 39 39 LEU H H 37 8.830 8.830 8.902 -0.072 17968 2155 1 7 . 1 1 40 40 LEU N N 38 126.410 126.410 123.342 3.068 17968 2156 1 7 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.211 0.079 17968 2157 1 7 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.908 -0.578 17968 2158 1 7 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.407 0.523 17968 2159 1 7 . 1 1 40 40 LEU H H 38 9.780 9.780 8.327 1.453 17968 2160 1 7 . 1 1 41 41 ARG N N 39 126.610 126.610 120.454 6.156 17968 2161 1 7 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.701 -0.251 17968 2162 1 7 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.765 -0.835 17968 2163 1 7 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.597 -2.567 17968 2164 1 7 . 1 1 41 41 ARG H H 39 8.880 8.880 8.721 0.159 17968 2165 1 7 . 1 1 42 42 ARG N N 40 116.410 116.410 120.030 -3.620 17968 2166 1 7 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.174 -0.174 17968 2167 1 7 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.546 -1.016 17968 2168 1 7 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.868 2.962 17968 2169 1 7 . 1 1 42 42 ARG H H 40 8.590 8.590 8.549 0.041 17968 2170 1 7 . 1 1 43 43 GLU N N 41 117.710 117.710 118.011 -0.301 17968 2171 1 7 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.246 0.014 17968 2172 1 7 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.107 0.823 17968 2173 1 7 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.281 1.249 17968 2174 1 7 . 1 1 43 43 GLU H H 41 6.800 6.800 7.821 -1.021 17968 2175 1 7 . 1 1 44 44 VAL N N 42 124.710 124.710 120.735 3.975 17968 2176 1 7 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.543 -0.363 17968 2177 1 7 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.566 0.964 17968 2178 1 7 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.412 -0.082 17968 2179 1 7 . 1 1 44 44 VAL H H 42 7.760 7.760 7.530 0.230 17968 2180 1 7 . 1 1 45 45 TYR N N 43 118.310 118.310 118.400 -0.090 17968 2181 1 7 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.186 0.004 17968 2182 1 7 . 1 1 45 45 TYR CA C 43 59.130 59.130 61.013 -1.883 17968 2183 1 7 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.488 1.242 17968 2184 1 7 . 1 1 45 45 TYR H H 43 7.600 7.600 8.069 -0.469 17968 2185 1 7 . 1 1 46 46 ASP N N 44 120.910 120.910 120.302 0.608 17968 2186 1 7 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.399 0.311 17968 2187 1 7 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.373 0.656 17968 2188 1 7 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.357 0.473 17968 2189 1 7 . 1 1 46 46 ASP H H 44 8.660 8.660 7.703 0.957 17968 2190 1 7 . 1 1 47 47 PHE N N 45 125.310 125.310 119.803 5.507 17968 2191 1 7 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.215 -0.285 17968 2192 1 7 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.597 1.033 17968 2193 1 7 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.236 -0.206 17968 2194 1 7 . 1 1 47 47 PHE H H 45 8.250 8.250 8.060 0.190 17968 2195 1 7 . 1 1 48 48 ALA N N 46 119.710 119.710 121.822 -2.112 17968 2196 1 7 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.297 0.203 17968 2197 1 7 . 1 1 48 48 ALA CA C 46 54.130 54.130 54.003 0.127 17968 2198 1 7 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.653 0.077 17968 2199 1 7 . 1 1 48 48 ALA H H 46 7.790 7.790 7.580 0.210 17968 2200 1 7 . 1 1 49 49 PHE N N 47 123.210 123.210 118.147 5.063 17968 2201 1 7 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.342 0.208 17968 2202 1 7 . 1 1 49 49 PHE CA C 47 60.530 60.530 61.211 -0.681 17968 2203 1 7 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.377 -0.347 17968 2204 1 7 . 1 1 49 49 PHE H H 47 9.040 9.040 8.422 0.618 17968 2205 1 7 . 1 1 50 50 ARG N N 48 119.810 119.810 118.569 1.241 17968 2206 1 7 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.455 -0.405 17968 2207 1 7 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.092 2.038 17968 2208 1 7 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.213 -0.183 17968 2209 1 7 . 1 1 50 50 ARG H H 48 8.100 8.100 7.961 0.139 17968 2210 1 7 . 1 1 51 51 ASP N N 49 120.910 120.910 121.015 -0.105 17968 2211 1 7 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.691 -0.241 17968 2212 1 7 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.642 0.887 17968 2213 1 7 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.839 0.091 17968 2214 1 7 . 1 1 51 51 ASP H H 49 8.010 8.010 8.595 -0.585 17968 2215 1 7 . 1 1 52 52 LEU N N 50 118.510 118.510 122.296 -3.786 17968 2216 1 7 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.589 -0.419 17968 2217 1 7 . 1 1 52 52 LEU CA C 50 54.230 54.230 52.789 1.441 17968 2218 1 7 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.908 -3.678 17968 2219 1 7 . 1 1 52 52 LEU H H 50 6.720 6.720 7.367 -0.647 17968 2220 1 7 . 1 1 53 53 CYS N N 51 117.410 117.410 119.000 -1.590 17968 2221 1 7 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.518 -0.608 17968 2222 1 7 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.335 2.395 17968 2223 1 7 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.177 -1.447 17968 2224 1 7 . 1 1 53 53 CYS H H 51 8.030 8.030 8.348 -0.318 17968 2225 1 7 . 1 1 54 54 ILE N N 52 125.110 125.110 122.894 2.216 17968 2226 1 7 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.216 -0.226 17968 2227 1 7 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.671 -1.741 17968 2228 1 7 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.280 -0.550 17968 2229 1 7 . 1 1 54 54 ILE H H 52 8.450 8.450 8.448 0.002 17968 2230 1 7 . 1 1 55 55 VAL N N 53 127.010 127.010 122.518 4.492 17968 2231 1 7 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.448 -0.098 17968 2232 1 7 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.669 -0.039 17968 2233 1 7 . 1 1 55 55 VAL CB C 53 34.230 34.230 33.082 1.148 17968 2234 1 7 . 1 1 55 55 VAL H H 53 8.120 8.120 7.837 0.283 17968 2235 1 7 . 1 1 56 56 TYR N N 54 125.010 125.010 125.741 -0.731 17968 2236 1 7 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.028 0.352 17968 2237 1 7 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.496 -0.066 17968 2238 1 7 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.246 1.784 17968 2239 1 7 . 1 1 56 56 TYR H H 54 8.710 8.710 8.663 0.047 17968 2240 1 7 . 1 1 57 57 ARG N N 55 123.810 123.810 127.237 -3.427 17968 2241 1 7 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.269 0.361 17968 2242 1 7 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.857 -0.527 17968 2243 1 7 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.029 2.800 17968 2244 1 7 . 1 1 57 57 ARG H H 55 8.860 8.860 8.456 0.404 17968 2245 1 7 . 1 1 58 58 ASP N N 56 129.110 129.110 126.089 3.021 17968 2246 1 7 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.432 -0.132 17968 2247 1 7 . 1 1 58 58 ASP CA C 56 55.730 55.730 54.509 1.221 17968 2248 1 7 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.279 -0.149 17968 2249 1 7 . 1 1 58 58 ASP H H 56 9.630 9.630 9.007 0.623 17968 2250 1 7 . 1 1 59 59 GLY N N 57 104.510 104.510 103.379 1.131 17968 2251 1 7 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.385 0.245 17968 2252 1 7 . 1 1 59 59 GLY H H 57 8.710 8.710 8.422 0.288 17968 2253 1 7 . 1 1 60 60 ASN N N 58 122.110 122.110 117.062 5.048 17968 2254 1 7 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.368 0.012 17968 2255 1 7 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.243 0.087 17968 2256 1 7 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.793 -0.363 17968 2257 1 7 . 1 1 60 60 ASN H H 58 8.130 8.130 7.565 0.565 17968 2258 1 7 . 1 1 61 61 PRO HA H 59 3.770 3.770 4.099 -0.329 17968 2259 1 7 . 1 1 61 61 PRO CA C 59 62.030 62.030 63.347 -1.317 17968 2260 1 7 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.890 2.540 17968 2261 1 7 . 1 1 62 62 TYR N N 60 119.910 119.910 123.927 -4.017 17968 2262 1 7 . 1 1 62 62 TYR HA H 60 4.350 4.350 5.000 -0.650 17968 2263 1 7 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.595 1.535 17968 2264 1 7 . 1 1 62 62 TYR CB C 60 43.430 43.430 43.221 0.209 17968 2265 1 7 . 1 1 62 62 TYR H H 60 8.580 8.580 7.419 1.161 17968 2266 1 7 . 1 1 63 63 ALA N N 61 123.710 123.710 121.033 2.677 17968 2267 1 7 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.685 -0.305 17968 2268 1 7 . 1 1 63 63 ALA CA C 61 49.330 49.330 50.073 -0.743 17968 2269 1 7 . 1 1 63 63 ALA CB C 61 20.230 20.230 22.226 -1.996 17968 2270 1 7 . 1 1 63 63 ALA H H 61 7.980 7.980 9.064 -1.084 17968 2271 1 7 . 1 1 64 64 VAL N N 62 120.610 120.610 118.881 1.729 17968 2272 1 7 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.323 1.157 17968 2273 1 7 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.477 -0.147 17968 2274 1 7 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.537 3.693 17968 2275 1 7 . 1 1 64 64 VAL H H 62 6.330 6.330 8.548 -2.218 17968 2276 1 7 . 1 1 65 65 CYS N N 63 130.310 130.310 125.244 5.066 17968 2277 1 7 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.620 -0.060 17968 2278 1 7 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.436 0.994 17968 2279 1 7 . 1 1 65 65 CYS CB C 63 31.030 31.030 28.971 2.059 17968 2280 1 7 . 1 1 65 65 CYS H H 63 9.420 9.420 8.637 0.783 17968 2281 1 7 . 1 1 66 66 ASP N N 64 121.110 121.110 119.836 1.274 17968 2282 1 7 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.358 0.052 17968 2283 1 7 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.621 0.809 17968 2284 1 7 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.955 1.575 17968 2285 1 7 . 1 1 66 66 ASP H H 64 9.040 9.040 8.851 0.189 17968 2286 1 7 . 1 1 67 67 LYS N N 65 121.910 121.910 119.171 2.739 17968 2287 1 7 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.330 -0.340 17968 2288 1 7 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.955 1.175 17968 2289 1 7 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.664 0.166 17968 2290 1 7 . 1 1 67 67 LYS H H 65 8.330 8.330 7.601 0.729 17968 2291 1 7 . 1 1 68 68 CYS N N 66 125.510 125.510 119.518 5.992 17968 2292 1 7 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.549 -0.439 17968 2293 1 7 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.864 1.866 17968 2294 1 7 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.798 4.832 17968 2295 1 7 . 1 1 68 68 CYS H H 66 8.690 8.690 7.852 0.838 17968 2296 1 7 . 1 1 69 69 LEU N N 67 125.110 125.110 121.767 3.343 17968 2297 1 7 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.074 -0.044 17968 2298 1 7 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.545 0.084 17968 2299 1 7 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.232 -0.002 17968 2300 1 7 . 1 1 69 69 LEU H H 67 8.460 8.460 8.458 0.002 17968 2301 1 7 . 1 1 70 70 LYS N N 68 119.210 119.210 116.785 2.425 17968 2302 1 7 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.180 -0.200 17968 2303 1 7 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.762 1.268 17968 2304 1 7 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.190 0.040 17968 2305 1 7 . 1 1 70 70 LYS H H 68 7.830 7.830 7.895 -0.065 17968 2306 1 7 . 1 1 71 71 PHE N N 69 121.710 121.710 119.113 2.597 17968 2307 1 7 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.123 0.147 17968 2308 1 7 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.549 -0.419 17968 2309 1 7 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.654 -0.224 17968 2310 1 7 . 1 1 71 71 PHE H H 69 7.810 7.810 7.488 0.322 17968 2311 1 8 . 1 1 4 4 PHE N N 2 122.310 122.310 125.384 -3.074 17968 2312 1 8 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.941 -0.321 17968 2313 1 8 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.372 -1.042 17968 2314 1 8 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.731 -1.301 17968 2315 1 8 . 1 1 4 4 PHE H H 2 8.370 8.370 8.853 -0.483 17968 2316 1 8 . 1 1 5 5 GLN N N 3 123.510 123.510 122.635 0.875 17968 2317 1 8 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.419 -0.229 17968 2318 1 8 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.253 1.777 17968 2319 1 8 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.720 -0.790 17968 2320 1 8 . 1 1 5 5 GLN H H 3 8.250 8.250 7.773 0.477 17968 2321 1 8 . 1 1 6 6 ASP N N 4 125.010 125.010 120.248 4.762 17968 2322 1 8 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.578 0.262 17968 2323 1 8 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.037 -1.007 17968 2324 1 8 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.971 0.759 17968 2325 1 8 . 1 1 6 6 ASP H H 4 8.410 8.410 8.258 0.152 17968 2326 1 8 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.344 -0.224 17968 2327 1 8 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.380 0.750 17968 2328 1 8 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.075 0.255 17968 2329 1 8 . 1 1 8 8 GLN N N 6 119.710 119.710 118.559 1.151 17968 2330 1 8 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.196 -0.046 17968 2331 1 8 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.013 0.617 17968 2332 1 8 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.679 1.651 17968 2333 1 8 . 1 1 8 8 GLN H H 6 8.430 8.430 7.349 1.081 17968 2334 1 8 . 1 1 9 9 GLU N N 7 122.110 122.110 125.481 -3.371 17968 2335 1 8 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.115 0.065 17968 2336 1 8 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.734 0.396 17968 2337 1 8 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.052 0.478 17968 2338 1 8 . 1 1 9 9 GLU H H 7 7.940 7.940 8.566 -0.626 17968 2339 1 8 . 1 1 10 10 ARG N N 8 123.410 123.410 115.643 7.767 17968 2340 1 8 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.144 0.266 17968 2341 1 8 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.645 -1.515 17968 2342 1 8 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.091 2.239 17968 2343 1 8 . 1 1 10 10 ARG H H 8 7.670 7.670 7.916 -0.246 17968 2344 1 8 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.574 -0.234 17968 2345 1 8 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.806 0.724 17968 2346 1 8 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.001 -0.371 17968 2347 1 8 . 1 1 12 12 ARG N N 10 123.810 123.810 120.120 3.690 17968 2348 1 8 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.497 0.163 17968 2349 1 8 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.372 0.458 17968 2350 1 8 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.607 1.923 17968 2351 1 8 . 1 1 12 12 ARG H H 10 8.700 8.700 8.817 -0.117 17968 2352 1 8 . 1 1 13 13 LYS N N 11 118.310 118.310 119.307 -0.997 17968 2353 1 8 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.661 0.389 17968 2354 1 8 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.837 -0.607 17968 2355 1 8 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.470 2.160 17968 2356 1 8 . 1 1 13 13 LYS H H 11 7.810 7.810 7.591 0.219 17968 2357 1 8 . 1 1 14 14 LEU N N 12 124.810 124.810 128.706 -3.896 17968 2358 1 8 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.254 -0.104 17968 2359 1 8 . 1 1 14 14 LEU CA C 12 59.630 59.630 60.095 -0.465 17968 2360 1 8 . 1 1 14 14 LEU CB C 12 40.530 40.530 40.028 0.502 17968 2361 1 8 . 1 1 14 14 LEU H H 12 10.210 10.210 9.284 0.926 17968 2362 1 8 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.132 0.038 17968 2363 1 8 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.522 1.808 17968 2364 1 8 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.979 -0.449 17968 2365 1 8 . 1 1 16 16 GLN N N 14 117.710 117.710 115.941 1.769 17968 2366 1 8 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.199 -0.039 17968 2367 1 8 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.984 1.146 17968 2368 1 8 . 1 1 16 16 GLN CB C 14 28.630 28.630 29.163 -0.533 17968 2369 1 8 . 1 1 16 16 GLN H H 14 7.100 7.100 7.627 -0.527 17968 2370 1 8 . 1 1 17 17 LEU N N 15 124.610 124.610 122.640 1.970 17968 2371 1 8 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.183 -0.183 17968 2372 1 8 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.934 0.697 17968 2373 1 8 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.647 0.383 17968 2374 1 8 . 1 1 17 17 LEU H H 15 8.020 8.020 7.924 0.096 17968 2375 1 8 . 1 1 18 18 CYS N N 16 117.210 117.210 116.269 0.941 17968 2376 1 8 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.085 -0.355 17968 2377 1 8 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.965 0.865 17968 2378 1 8 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.149 0.080 17968 2379 1 8 . 1 1 18 18 CYS H H 16 8.410 8.410 8.341 0.069 17968 2380 1 8 . 1 1 19 19 THR N N 17 117.710 117.710 115.370 2.340 17968 2381 1 8 . 1 1 19 19 THR HA H 17 3.990 3.990 4.146 -0.156 17968 2382 1 8 . 1 1 19 19 THR CA C 17 66.830 66.830 66.636 0.194 17968 2383 1 8 . 1 1 19 19 THR CB C 17 68.830 68.830 68.486 0.344 17968 2384 1 8 . 1 1 19 19 THR H H 17 7.670 7.670 7.600 0.070 17968 2385 1 8 . 1 1 20 20 GLU N N 18 125.410 125.410 120.924 4.486 17968 2386 1 8 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.204 -0.144 17968 2387 1 8 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.181 0.649 17968 2388 1 8 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.671 -0.041 17968 2389 1 8 . 1 1 20 20 GLU H H 18 7.980 7.980 7.686 0.294 17968 2390 1 8 . 1 1 21 21 LEU N N 19 118.810 118.810 117.392 1.418 17968 2391 1 8 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.454 -0.164 17968 2392 1 8 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.651 0.279 17968 2393 1 8 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.510 -0.280 17968 2394 1 8 . 1 1 21 21 LEU H H 19 7.990 7.990 7.995 -0.005 17968 2395 1 8 . 1 1 22 22 GLN N N 20 118.310 118.310 116.871 1.439 17968 2396 1 8 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.103 -0.163 17968 2397 1 8 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.046 -0.416 17968 2398 1 8 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.194 -0.064 17968 2399 1 8 . 1 1 22 22 GLN H H 20 7.850 7.850 7.566 0.284 17968 2400 1 8 . 1 1 23 23 THR N N 21 115.810 115.810 112.951 2.859 17968 2401 1 8 . 1 1 23 23 THR HA H 21 4.920 4.920 4.676 0.244 17968 2402 1 8 . 1 1 23 23 THR CA C 21 58.730 58.730 60.343 -1.613 17968 2403 1 8 . 1 1 23 23 THR CB C 21 70.330 70.330 70.579 -0.248 17968 2404 1 8 . 1 1 23 23 THR H H 21 8.210 8.210 8.611 -0.401 17968 2405 1 8 . 1 1 24 24 THR N N 22 112.810 112.810 112.429 0.381 17968 2406 1 8 . 1 1 24 24 THR HA H 22 4.860 4.860 4.791 0.069 17968 2407 1 8 . 1 1 24 24 THR CA C 22 59.830 59.830 59.847 -0.017 17968 2408 1 8 . 1 1 24 24 THR CB C 22 74.030 74.030 71.196 2.834 17968 2409 1 8 . 1 1 24 24 THR H H 22 8.620 8.620 8.006 0.614 17968 2410 1 8 . 1 1 25 25 ILE N N 23 124.310 124.310 118.650 5.660 17968 2411 1 8 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.838 -0.178 17968 2412 1 8 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.389 -0.659 17968 2413 1 8 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.853 0.377 17968 2414 1 8 . 1 1 25 25 ILE H H 23 9.020 9.020 8.615 0.405 17968 2415 1 8 . 1 1 26 26 HIS N N 24 119.210 119.210 113.583 5.627 17968 2416 1 8 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.984 -0.604 17968 2417 1 8 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.994 -0.564 17968 2418 1 8 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.382 1.348 17968 2419 1 8 . 1 1 26 26 HIS H H 24 6.870 6.870 7.998 -1.128 17968 2420 1 8 . 1 1 27 27 ASP N N 25 116.510 116.510 118.127 -1.617 17968 2421 1 8 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.745 0.005 17968 2422 1 8 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.292 0.138 17968 2423 1 8 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.516 0.814 17968 2424 1 8 . 1 1 27 27 ASP H H 25 7.220 7.220 7.744 -0.524 17968 2425 1 8 . 1 1 28 28 ILE N N 26 123.310 123.310 122.744 0.566 17968 2426 1 8 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.954 -0.054 17968 2427 1 8 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.444 0.686 17968 2428 1 8 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.488 -0.558 17968 2429 1 8 . 1 1 28 28 ILE H H 26 7.690 7.690 7.925 -0.235 17968 2430 1 8 . 1 1 29 29 ILE N N 27 130.910 130.910 128.557 2.353 17968 2431 1 8 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.221 0.139 17968 2432 1 8 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.251 -0.421 17968 2433 1 8 . 1 1 29 29 ILE CB C 27 37.730 37.730 38.385 -0.655 17968 2434 1 8 . 1 1 29 29 ILE H H 27 8.230 8.230 8.139 0.091 17968 2435 1 8 . 1 1 30 30 LEU N N 28 129.310 129.310 126.889 2.421 17968 2436 1 8 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.417 0.233 17968 2437 1 8 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.640 -1.110 17968 2438 1 8 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.166 2.163 17968 2439 1 8 . 1 1 30 30 LEU H H 28 8.450 8.450 8.498 -0.048 17968 2440 1 8 . 1 1 31 31 GLU N N 29 121.810 121.810 119.715 2.095 17968 2441 1 8 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.016 -0.356 17968 2442 1 8 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.304 0.426 17968 2443 1 8 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.609 1.321 17968 2444 1 8 . 1 1 31 31 GLU H H 29 8.820 8.820 8.436 0.384 17968 2445 1 8 . 1 1 32 32 CYS N N 30 125.510 125.510 121.274 4.236 17968 2446 1 8 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.838 -0.808 17968 2447 1 8 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.532 -1.302 17968 2448 1 8 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.925 3.905 17968 2449 1 8 . 1 1 32 32 CYS H H 30 8.240 8.240 8.688 -0.448 17968 2450 1 8 . 1 1 33 33 VAL N N 31 132.310 132.310 127.119 5.191 17968 2451 1 8 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.416 -0.336 17968 2452 1 8 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.984 -0.654 17968 2453 1 8 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.927 -0.297 17968 2454 1 8 . 1 1 33 33 VAL H H 31 8.880 8.880 8.594 0.286 17968 2455 1 8 . 1 1 34 34 TYR N N 32 124.210 124.210 115.016 9.194 17968 2456 1 8 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.572 -0.122 17968 2457 1 8 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.965 1.065 17968 2458 1 8 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.276 0.754 17968 2459 1 8 . 1 1 34 34 TYR H H 32 8.620 8.620 7.357 1.263 17968 2460 1 8 . 1 1 35 35 CYS N N 33 119.810 119.810 115.612 4.198 17968 2461 1 8 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.451 0.349 17968 2462 1 8 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.752 -0.422 17968 2463 1 8 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.392 4.838 17968 2464 1 8 . 1 1 35 35 CYS H H 33 8.090 8.090 7.787 0.303 17968 2465 1 8 . 1 1 36 36 LYS N N 34 119.810 119.810 115.088 4.722 17968 2466 1 8 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.212 -0.052 17968 2467 1 8 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.262 0.568 17968 2468 1 8 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.795 -1.565 17968 2469 1 8 . 1 1 36 36 LYS H H 34 7.870 7.870 7.614 0.256 17968 2470 1 8 . 1 1 37 37 GLN N N 35 120.610 120.610 116.820 3.790 17968 2471 1 8 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.434 -0.064 17968 2472 1 8 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.031 0.399 17968 2473 1 8 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.294 0.436 17968 2474 1 8 . 1 1 37 37 GLN H H 35 8.250 8.250 8.008 0.242 17968 2475 1 8 . 1 1 38 38 GLN N N 36 123.610 123.610 122.035 1.575 17968 2476 1 8 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.087 0.273 17968 2477 1 8 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.170 0.659 17968 2478 1 8 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.419 1.011 17968 2479 1 8 . 1 1 38 38 GLN H H 36 8.630 8.630 8.512 0.118 17968 2480 1 8 . 1 1 39 39 LEU N N 37 131.410 131.410 126.864 4.546 17968 2481 1 8 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.194 -0.094 17968 2482 1 8 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.621 1.609 17968 2483 1 8 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.492 -0.362 17968 2484 1 8 . 1 1 39 39 LEU H H 37 8.830 8.830 8.432 0.398 17968 2485 1 8 . 1 1 40 40 LEU N N 38 126.410 126.410 122.924 3.486 17968 2486 1 8 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.320 -0.030 17968 2487 1 8 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.510 -0.180 17968 2488 1 8 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.548 0.382 17968 2489 1 8 . 1 1 40 40 LEU H H 38 9.780 9.780 8.064 1.716 17968 2490 1 8 . 1 1 41 41 ARG N N 39 126.610 126.610 120.909 5.701 17968 2491 1 8 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.650 -0.200 17968 2492 1 8 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.010 -1.080 17968 2493 1 8 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.687 -2.657 17968 2494 1 8 . 1 1 41 41 ARG H H 39 8.880 8.880 8.716 0.164 17968 2495 1 8 . 1 1 42 42 ARG N N 40 116.410 116.410 118.791 -2.381 17968 2496 1 8 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.967 0.033 17968 2497 1 8 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.263 -0.733 17968 2498 1 8 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.819 3.011 17968 2499 1 8 . 1 1 42 42 ARG H H 40 8.590 8.590 8.566 0.024 17968 2500 1 8 . 1 1 43 43 GLU N N 41 117.710 117.710 118.760 -1.050 17968 2501 1 8 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.118 0.142 17968 2502 1 8 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.805 0.125 17968 2503 1 8 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.964 1.566 17968 2504 1 8 . 1 1 43 43 GLU H H 41 6.800 6.800 7.677 -0.877 17968 2505 1 8 . 1 1 44 44 VAL N N 42 124.710 124.710 119.892 4.818 17968 2506 1 8 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.608 -0.428 17968 2507 1 8 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.141 1.389 17968 2508 1 8 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.416 -0.086 17968 2509 1 8 . 1 1 44 44 VAL H H 42 7.760 7.760 7.548 0.212 17968 2510 1 8 . 1 1 45 45 TYR N N 43 118.310 118.310 118.298 0.012 17968 2511 1 8 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.185 0.005 17968 2512 1 8 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.556 0.574 17968 2513 1 8 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.219 1.510 17968 2514 1 8 . 1 1 45 45 TYR H H 43 7.600 7.600 7.408 0.192 17968 2515 1 8 . 1 1 46 46 ASP N N 44 120.910 120.910 120.128 0.782 17968 2516 1 8 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.454 0.256 17968 2517 1 8 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.738 0.292 17968 2518 1 8 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.770 0.060 17968 2519 1 8 . 1 1 46 46 ASP H H 44 8.660 8.660 8.091 0.569 17968 2520 1 8 . 1 1 47 47 PHE N N 45 125.310 125.310 119.302 6.008 17968 2521 1 8 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.056 -0.126 17968 2522 1 8 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.705 0.925 17968 2523 1 8 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.206 -0.176 17968 2524 1 8 . 1 1 47 47 PHE H H 45 8.250 8.250 8.025 0.225 17968 2525 1 8 . 1 1 48 48 ALA N N 46 119.710 119.710 120.606 -0.896 17968 2526 1 8 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.243 0.257 17968 2527 1 8 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.663 0.467 17968 2528 1 8 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.602 0.128 17968 2529 1 8 . 1 1 48 48 ALA H H 46 7.790 7.790 7.493 0.297 17968 2530 1 8 . 1 1 49 49 PHE N N 47 123.210 123.210 119.066 4.144 17968 2531 1 8 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.359 0.191 17968 2532 1 8 . 1 1 49 49 PHE CA C 47 60.530 60.530 61.210 -0.680 17968 2533 1 8 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.890 -0.860 17968 2534 1 8 . 1 1 49 49 PHE H H 47 9.040 9.040 7.664 1.376 17968 2535 1 8 . 1 1 50 50 ARG N N 48 119.810 119.810 119.157 0.653 17968 2536 1 8 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.374 -0.324 17968 2537 1 8 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.684 1.446 17968 2538 1 8 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.018 0.012 17968 2539 1 8 . 1 1 50 50 ARG H H 48 8.100 8.100 8.077 0.023 17968 2540 1 8 . 1 1 51 51 ASP N N 49 120.910 120.910 122.745 -1.835 17968 2541 1 8 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.517 -0.067 17968 2542 1 8 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.622 -0.092 17968 2543 1 8 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.274 -0.344 17968 2544 1 8 . 1 1 51 51 ASP H H 49 8.010 8.010 8.418 -0.408 17968 2545 1 8 . 1 1 52 52 LEU N N 50 118.510 118.510 124.178 -5.668 17968 2546 1 8 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.750 -0.580 17968 2547 1 8 . 1 1 52 52 LEU CA C 50 54.230 54.230 52.881 1.349 17968 2548 1 8 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.206 -3.977 17968 2549 1 8 . 1 1 52 52 LEU H H 50 6.720 6.720 7.816 -1.096 17968 2550 1 8 . 1 1 53 53 CYS N N 51 117.410 117.410 116.381 1.029 17968 2551 1 8 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.721 -0.811 17968 2552 1 8 . 1 1 53 53 CYS CA C 51 58.730 58.730 55.777 2.953 17968 2553 1 8 . 1 1 53 53 CYS CB C 51 28.730 28.730 31.399 -2.669 17968 2554 1 8 . 1 1 53 53 CYS H H 51 8.030 8.030 8.287 -0.257 17968 2555 1 8 . 1 1 54 54 ILE N N 52 125.110 125.110 122.771 2.339 17968 2556 1 8 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.207 -0.217 17968 2557 1 8 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.386 -1.456 17968 2558 1 8 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.255 -0.525 17968 2559 1 8 . 1 1 54 54 ILE H H 52 8.450 8.450 8.208 0.242 17968 2560 1 8 . 1 1 55 55 VAL N N 53 127.010 127.010 123.005 4.005 17968 2561 1 8 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.415 -0.065 17968 2562 1 8 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.778 -0.148 17968 2563 1 8 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.505 1.725 17968 2564 1 8 . 1 1 55 55 VAL H H 53 8.120 8.120 7.915 0.205 17968 2565 1 8 . 1 1 56 56 TYR N N 54 125.010 125.010 126.922 -1.912 17968 2566 1 8 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.979 0.401 17968 2567 1 8 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.500 -0.070 17968 2568 1 8 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.091 1.939 17968 2569 1 8 . 1 1 56 56 TYR H H 54 8.710 8.710 8.654 0.056 17968 2570 1 8 . 1 1 57 57 ARG N N 55 123.810 123.810 125.311 -1.501 17968 2571 1 8 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.183 0.447 17968 2572 1 8 . 1 1 57 57 ARG CA C 55 55.330 55.330 56.267 -0.938 17968 2573 1 8 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.819 3.011 17968 2574 1 8 . 1 1 57 57 ARG H H 55 8.860 8.860 8.503 0.357 17968 2575 1 8 . 1 1 58 58 ASP N N 56 129.110 129.110 124.801 4.309 17968 2576 1 8 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.289 0.011 17968 2577 1 8 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.697 -0.967 17968 2578 1 8 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.295 -0.165 17968 2579 1 8 . 1 1 58 58 ASP H H 56 9.630 9.630 8.761 0.869 17968 2580 1 8 . 1 1 59 59 GLY N N 57 104.510 104.510 105.717 -1.207 17968 2581 1 8 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.566 0.063 17968 2582 1 8 . 1 1 59 59 GLY H H 57 8.710 8.710 8.348 0.362 17968 2583 1 8 . 1 1 60 60 ASN N N 58 122.110 122.110 118.687 3.423 17968 2584 1 8 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.383 -0.003 17968 2585 1 8 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.514 -0.184 17968 2586 1 8 . 1 1 60 60 ASN CB C 58 40.430 40.430 42.183 -1.753 17968 2587 1 8 . 1 1 60 60 ASN H H 58 8.130 8.130 7.937 0.193 17968 2588 1 8 . 1 1 61 61 PRO HA H 59 3.770 3.770 4.080 -0.310 17968 2589 1 8 . 1 1 61 61 PRO CA C 59 62.030 62.030 63.124 -1.094 17968 2590 1 8 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.824 2.606 17968 2591 1 8 . 1 1 62 62 TYR N N 60 119.910 119.910 124.597 -4.687 17968 2592 1 8 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.731 -0.381 17968 2593 1 8 . 1 1 62 62 TYR CA C 60 58.130 58.130 57.007 1.123 17968 2594 1 8 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.545 0.885 17968 2595 1 8 . 1 1 62 62 TYR H H 60 8.580 8.580 7.434 1.146 17968 2596 1 8 . 1 1 63 63 ALA N N 61 123.710 123.710 121.074 2.636 17968 2597 1 8 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.540 -0.160 17968 2598 1 8 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.799 -0.469 17968 2599 1 8 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.826 -1.596 17968 2600 1 8 . 1 1 63 63 ALA H H 61 7.980 7.980 9.022 -1.042 17968 2601 1 8 . 1 1 64 64 VAL N N 62 120.610 120.610 117.877 2.733 17968 2602 1 8 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.406 1.074 17968 2603 1 8 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.835 0.495 17968 2604 1 8 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.316 2.914 17968 2605 1 8 . 1 1 64 64 VAL H H 62 6.330 6.330 8.375 -2.045 17968 2606 1 8 . 1 1 65 65 CYS N N 63 130.310 130.310 123.891 6.419 17968 2607 1 8 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.633 -0.073 17968 2608 1 8 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.614 0.816 17968 2609 1 8 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.684 1.346 17968 2610 1 8 . 1 1 65 65 CYS H H 63 9.420 9.420 8.531 0.889 17968 2611 1 8 . 1 1 66 66 ASP N N 64 121.110 121.110 120.385 0.725 17968 2612 1 8 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.378 0.032 17968 2613 1 8 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.312 1.118 17968 2614 1 8 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.926 1.604 17968 2615 1 8 . 1 1 66 66 ASP H H 64 9.040 9.040 9.059 -0.019 17968 2616 1 8 . 1 1 67 67 LYS N N 65 121.910 121.910 119.140 2.770 17968 2617 1 8 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.290 -0.300 17968 2618 1 8 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.968 1.163 17968 2619 1 8 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.617 0.213 17968 2620 1 8 . 1 1 67 67 LYS H H 65 8.330 8.330 8.189 0.141 17968 2621 1 8 . 1 1 68 68 CYS N N 66 125.510 125.510 119.424 6.086 17968 2622 1 8 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.732 -0.622 17968 2623 1 8 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.521 2.209 17968 2624 1 8 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.219 4.411 17968 2625 1 8 . 1 1 68 68 CYS H H 66 8.690 8.690 7.837 0.853 17968 2626 1 8 . 1 1 69 69 LEU N N 67 125.110 125.110 120.064 5.046 17968 2627 1 8 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.180 -0.150 17968 2628 1 8 . 1 1 69 69 LEU CA C 67 58.630 58.630 57.623 1.007 17968 2629 1 8 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.947 0.283 17968 2630 1 8 . 1 1 69 69 LEU H H 67 8.460 8.460 8.470 -0.010 17968 2631 1 8 . 1 1 70 70 LYS N N 68 119.210 119.210 117.748 1.462 17968 2632 1 8 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.123 -0.143 17968 2633 1 8 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.287 0.743 17968 2634 1 8 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.216 0.014 17968 2635 1 8 . 1 1 70 70 LYS H H 68 7.830 7.830 7.618 0.212 17968 2636 1 8 . 1 1 71 71 PHE N N 69 121.710 121.710 118.506 3.204 17968 2637 1 8 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.262 0.008 17968 2638 1 8 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.305 -0.175 17968 2639 1 8 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.636 -0.206 17968 2640 1 8 . 1 1 71 71 PHE H H 69 7.810 7.810 7.491 0.319 17968 2641 1 9 . 1 1 4 4 PHE N N 2 122.310 122.310 122.283 0.027 17968 2642 1 9 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.967 -0.347 17968 2643 1 9 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.181 -0.851 17968 2644 1 9 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.560 -2.130 17968 2645 1 9 . 1 1 4 4 PHE H H 2 8.370 8.370 8.979 -0.609 17968 2646 1 9 . 1 1 5 5 GLN N N 3 123.510 123.510 124.043 -0.533 17968 2647 1 9 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.522 -0.332 17968 2648 1 9 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.445 1.585 17968 2649 1 9 . 1 1 5 5 GLN CB C 3 29.930 29.930 32.370 -2.440 17968 2650 1 9 . 1 1 5 5 GLN H H 3 8.250 8.250 8.136 0.114 17968 2651 1 9 . 1 1 6 6 ASP N N 4 125.010 125.010 119.988 5.022 17968 2652 1 9 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.429 0.411 17968 2653 1 9 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.804 -1.774 17968 2654 1 9 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.128 0.602 17968 2655 1 9 . 1 1 6 6 ASP H H 4 8.410 8.410 8.486 -0.076 17968 2656 1 9 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.386 -0.266 17968 2657 1 9 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.007 1.123 17968 2658 1 9 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.981 0.349 17968 2659 1 9 . 1 1 8 8 GLN N N 6 119.710 119.710 119.797 -0.087 17968 2660 1 9 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.370 -0.220 17968 2661 1 9 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.366 1.264 17968 2662 1 9 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.724 1.606 17968 2663 1 9 . 1 1 8 8 GLN H H 6 8.430 8.430 7.452 0.978 17968 2664 1 9 . 1 1 9 9 GLU N N 7 122.110 122.110 124.523 -2.413 17968 2665 1 9 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.029 0.151 17968 2666 1 9 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.697 -0.567 17968 2667 1 9 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.221 0.309 17968 2668 1 9 . 1 1 9 9 GLU H H 7 7.940 7.940 8.588 -0.648 17968 2669 1 9 . 1 1 10 10 ARG N N 8 123.410 123.410 116.555 6.855 17968 2670 1 9 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.244 0.166 17968 2671 1 9 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.596 -1.466 17968 2672 1 9 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.836 1.494 17968 2673 1 9 . 1 1 10 10 ARG H H 8 7.670 7.670 9.024 -1.354 17968 2674 1 9 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.610 -0.270 17968 2675 1 9 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.086 1.444 17968 2676 1 9 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.649 -0.019 17968 2677 1 9 . 1 1 12 12 ARG N N 10 123.810 123.810 118.914 4.896 17968 2678 1 9 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.756 -0.096 17968 2679 1 9 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.057 0.773 17968 2680 1 9 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.566 1.964 17968 2681 1 9 . 1 1 12 12 ARG H H 10 8.700 8.700 8.761 -0.061 17968 2682 1 9 . 1 1 13 13 LYS N N 11 118.310 118.310 118.487 -0.177 17968 2683 1 9 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.798 0.252 17968 2684 1 9 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.990 -0.760 17968 2685 1 9 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.764 0.866 17968 2686 1 9 . 1 1 13 13 LYS H H 11 7.810 7.810 7.668 0.142 17968 2687 1 9 . 1 1 14 14 LEU N N 12 124.810 124.810 127.662 -2.852 17968 2688 1 9 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.283 -0.133 17968 2689 1 9 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.788 -0.157 17968 2690 1 9 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.918 0.612 17968 2691 1 9 . 1 1 14 14 LEU H H 12 10.210 10.210 9.253 0.957 17968 2692 1 9 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.125 0.045 17968 2693 1 9 . 1 1 15 15 PRO CA C 13 67.330 67.330 66.064 1.266 17968 2694 1 9 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.966 -0.436 17968 2695 1 9 . 1 1 16 16 GLN N N 14 117.710 117.710 117.354 0.356 17968 2696 1 9 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.230 -0.070 17968 2697 1 9 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.222 0.908 17968 2698 1 9 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.652 -0.022 17968 2699 1 9 . 1 1 16 16 GLN H H 14 7.100 7.100 7.916 -0.816 17968 2700 1 9 . 1 1 17 17 LEU N N 15 124.610 124.610 122.233 2.377 17968 2701 1 9 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.164 -0.164 17968 2702 1 9 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.843 0.787 17968 2703 1 9 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.706 0.324 17968 2704 1 9 . 1 1 17 17 LEU H H 15 8.020 8.020 7.793 0.227 17968 2705 1 9 . 1 1 18 18 CYS N N 16 117.210 117.210 116.621 0.589 17968 2706 1 9 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.103 -0.373 17968 2707 1 9 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.666 1.165 17968 2708 1 9 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.159 0.071 17968 2709 1 9 . 1 1 18 18 CYS H H 16 8.410 8.410 8.216 0.194 17968 2710 1 9 . 1 1 19 19 THR N N 17 117.710 117.710 115.468 2.242 17968 2711 1 9 . 1 1 19 19 THR HA H 17 3.990 3.990 4.064 -0.074 17968 2712 1 9 . 1 1 19 19 THR CA C 17 66.830 66.830 66.648 0.182 17968 2713 1 9 . 1 1 19 19 THR CB C 17 68.830 68.830 68.398 0.432 17968 2714 1 9 . 1 1 19 19 THR H H 17 7.670 7.670 7.555 0.115 17968 2715 1 9 . 1 1 20 20 GLU N N 18 125.410 125.410 120.700 4.710 17968 2716 1 9 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.191 -0.131 17968 2717 1 9 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.041 0.789 17968 2718 1 9 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.520 0.110 17968 2719 1 9 . 1 1 20 20 GLU H H 18 7.980 7.980 7.572 0.408 17968 2720 1 9 . 1 1 21 21 LEU N N 19 118.810 118.810 118.585 0.225 17968 2721 1 9 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.571 -0.281 17968 2722 1 9 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.678 -0.748 17968 2723 1 9 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.571 -0.341 17968 2724 1 9 . 1 1 21 21 LEU H H 19 7.990 7.990 7.830 0.160 17968 2725 1 9 . 1 1 22 22 GLN N N 20 118.310 118.310 116.109 2.201 17968 2726 1 9 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.042 -0.102 17968 2727 1 9 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.483 -0.853 17968 2728 1 9 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.401 -0.271 17968 2729 1 9 . 1 1 22 22 GLN H H 20 7.850 7.850 7.771 0.079 17968 2730 1 9 . 1 1 23 23 THR N N 21 115.810 115.810 113.159 2.651 17968 2731 1 9 . 1 1 23 23 THR HA H 21 4.920 4.920 4.828 0.092 17968 2732 1 9 . 1 1 23 23 THR CA C 21 58.730 58.730 60.833 -2.103 17968 2733 1 9 . 1 1 23 23 THR CB C 21 70.330 70.330 70.718 -0.388 17968 2734 1 9 . 1 1 23 23 THR H H 21 8.210 8.210 8.390 -0.180 17968 2735 1 9 . 1 1 24 24 THR N N 22 112.810 112.810 112.649 0.161 17968 2736 1 9 . 1 1 24 24 THR HA H 22 4.860 4.860 4.868 -0.008 17968 2737 1 9 . 1 1 24 24 THR CA C 22 59.830 59.830 59.794 0.036 17968 2738 1 9 . 1 1 24 24 THR CB C 22 74.030 74.030 70.943 3.087 17968 2739 1 9 . 1 1 24 24 THR H H 22 8.620 8.620 8.070 0.550 17968 2740 1 9 . 1 1 25 25 ILE N N 23 124.310 124.310 118.815 5.495 17968 2741 1 9 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.864 -0.204 17968 2742 1 9 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.466 -0.736 17968 2743 1 9 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.832 0.398 17968 2744 1 9 . 1 1 25 25 ILE H H 23 9.020 9.020 8.615 0.405 17968 2745 1 9 . 1 1 26 26 HIS N N 24 119.210 119.210 114.740 4.470 17968 2746 1 9 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.958 -0.578 17968 2747 1 9 . 1 1 26 26 HIS CA C 24 56.430 56.430 58.138 -1.708 17968 2748 1 9 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.924 0.806 17968 2749 1 9 . 1 1 26 26 HIS H H 24 6.870 6.870 8.120 -1.250 17968 2750 1 9 . 1 1 27 27 ASP N N 25 116.510 116.510 118.831 -2.321 17968 2751 1 9 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.713 0.037 17968 2752 1 9 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.953 0.477 17968 2753 1 9 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.920 1.410 17968 2754 1 9 . 1 1 27 27 ASP H H 25 7.220 7.220 7.700 -0.480 17968 2755 1 9 . 1 1 28 28 ILE N N 26 123.310 123.310 122.423 0.887 17968 2756 1 9 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.920 -0.020 17968 2757 1 9 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.431 0.699 17968 2758 1 9 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.354 -0.424 17968 2759 1 9 . 1 1 28 28 ILE H H 26 7.690 7.690 7.708 -0.018 17968 2760 1 9 . 1 1 29 29 ILE N N 27 130.910 130.910 128.486 2.424 17968 2761 1 9 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.223 0.137 17968 2762 1 9 . 1 1 29 29 ILE CA C 27 58.830 58.830 58.928 -0.098 17968 2763 1 9 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.958 -0.228 17968 2764 1 9 . 1 1 29 29 ILE H H 27 8.230 8.230 8.098 0.132 17968 2765 1 9 . 1 1 30 30 LEU N N 28 129.310 129.310 127.963 1.347 17968 2766 1 9 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.525 0.125 17968 2767 1 9 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.403 -0.873 17968 2768 1 9 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.934 2.396 17968 2769 1 9 . 1 1 30 30 LEU H H 28 8.450 8.450 8.597 -0.147 17968 2770 1 9 . 1 1 31 31 GLU N N 29 121.810 121.810 118.841 2.969 17968 2771 1 9 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.998 -0.338 17968 2772 1 9 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.602 0.128 17968 2773 1 9 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.678 1.252 17968 2774 1 9 . 1 1 31 31 GLU H H 29 8.820 8.820 8.362 0.458 17968 2775 1 9 . 1 1 32 32 CYS N N 30 125.510 125.510 121.817 3.693 17968 2776 1 9 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.966 -0.936 17968 2777 1 9 . 1 1 32 32 CYS CA C 30 58.230 58.230 60.020 -1.790 17968 2778 1 9 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.094 3.736 17968 2779 1 9 . 1 1 32 32 CYS H H 30 8.240 8.240 9.007 -0.767 17968 2780 1 9 . 1 1 33 33 VAL N N 31 132.310 132.310 127.157 5.153 17968 2781 1 9 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.508 -0.428 17968 2782 1 9 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.070 0.260 17968 2783 1 9 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.076 -0.446 17968 2784 1 9 . 1 1 33 33 VAL H H 31 8.880 8.880 8.352 0.528 17968 2785 1 9 . 1 1 34 34 TYR N N 32 124.210 124.210 115.683 8.527 17968 2786 1 9 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.478 -0.028 17968 2787 1 9 . 1 1 34 34 TYR CA C 32 61.030 61.030 61.335 -0.305 17968 2788 1 9 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.828 1.202 17968 2789 1 9 . 1 1 34 34 TYR H H 32 8.620 8.620 7.484 1.136 17968 2790 1 9 . 1 1 35 35 CYS N N 33 119.810 119.810 113.798 6.012 17968 2791 1 9 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.638 0.162 17968 2792 1 9 . 1 1 35 35 CYS CA C 33 59.330 59.330 57.825 1.505 17968 2793 1 9 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.851 4.379 17968 2794 1 9 . 1 1 35 35 CYS H H 33 8.090 8.090 7.844 0.246 17968 2795 1 9 . 1 1 36 36 LYS N N 34 119.810 119.810 116.481 3.329 17968 2796 1 9 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.271 -0.111 17968 2797 1 9 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.377 0.453 17968 2798 1 9 . 1 1 36 36 LYS CB C 34 29.230 29.230 29.958 -0.728 17968 2799 1 9 . 1 1 36 36 LYS H H 34 7.870 7.870 8.255 -0.385 17968 2800 1 9 . 1 1 37 37 GLN N N 35 120.610 120.610 118.108 2.502 17968 2801 1 9 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.387 -0.017 17968 2802 1 9 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.040 0.390 17968 2803 1 9 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.731 -0.001 17968 2804 1 9 . 1 1 37 37 GLN H H 35 8.250 8.250 7.765 0.485 17968 2805 1 9 . 1 1 38 38 GLN N N 36 123.610 123.610 122.671 0.939 17968 2806 1 9 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.206 0.154 17968 2807 1 9 . 1 1 38 38 GLN CA C 36 56.830 56.830 55.838 0.992 17968 2808 1 9 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.873 0.557 17968 2809 1 9 . 1 1 38 38 GLN H H 36 8.630 8.630 8.571 0.059 17968 2810 1 9 . 1 1 39 39 LEU N N 37 131.410 131.410 128.671 2.739 17968 2811 1 9 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.313 -0.213 17968 2812 1 9 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.035 2.196 17968 2813 1 9 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.631 -0.501 17968 2814 1 9 . 1 1 39 39 LEU H H 37 8.830 8.830 8.235 0.595 17968 2815 1 9 . 1 1 40 40 LEU N N 38 126.410 126.410 122.484 3.926 17968 2816 1 9 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.331 -0.041 17968 2817 1 9 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.517 -0.188 17968 2818 1 9 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.462 0.468 17968 2819 1 9 . 1 1 40 40 LEU H H 38 9.780 9.780 8.425 1.355 17968 2820 1 9 . 1 1 41 41 ARG N N 39 126.610 126.610 121.624 4.986 17968 2821 1 9 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.607 -0.157 17968 2822 1 9 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.844 -0.914 17968 2823 1 9 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.597 -2.567 17968 2824 1 9 . 1 1 41 41 ARG H H 39 8.880 8.880 8.688 0.192 17968 2825 1 9 . 1 1 42 42 ARG N N 40 116.410 116.410 119.127 -2.717 17968 2826 1 9 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.994 0.006 17968 2827 1 9 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.397 -0.867 17968 2828 1 9 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.807 3.023 17968 2829 1 9 . 1 1 42 42 ARG H H 40 8.590 8.590 8.480 0.110 17968 2830 1 9 . 1 1 43 43 GLU N N 41 117.710 117.710 118.088 -0.378 17968 2831 1 9 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.160 0.100 17968 2832 1 9 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.359 0.570 17968 2833 1 9 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.141 1.389 17968 2834 1 9 . 1 1 43 43 GLU H H 41 6.800 6.800 7.681 -0.881 17968 2835 1 9 . 1 1 44 44 VAL N N 42 124.710 124.710 120.421 4.289 17968 2836 1 9 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.539 -0.359 17968 2837 1 9 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.301 1.229 17968 2838 1 9 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.517 -0.187 17968 2839 1 9 . 1 1 44 44 VAL H H 42 7.760 7.760 7.457 0.303 17968 2840 1 9 . 1 1 45 45 TYR N N 43 118.310 118.310 117.741 0.569 17968 2841 1 9 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.268 -0.078 17968 2842 1 9 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.305 -0.175 17968 2843 1 9 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.174 1.556 17968 2844 1 9 . 1 1 45 45 TYR H H 43 7.600 7.600 7.615 -0.015 17968 2845 1 9 . 1 1 46 46 ASP N N 44 120.910 120.910 120.034 0.876 17968 2846 1 9 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.529 0.181 17968 2847 1 9 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.370 0.659 17968 2848 1 9 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.562 0.269 17968 2849 1 9 . 1 1 46 46 ASP H H 44 8.660 8.660 7.665 0.995 17968 2850 1 9 . 1 1 47 47 PHE N N 45 125.310 125.310 119.919 5.391 17968 2851 1 9 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.077 -0.147 17968 2852 1 9 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.596 1.034 17968 2853 1 9 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.345 -0.315 17968 2854 1 9 . 1 1 47 47 PHE H H 45 8.250 8.250 7.788 0.462 17968 2855 1 9 . 1 1 48 48 ALA N N 46 119.710 119.710 119.988 -0.278 17968 2856 1 9 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.236 0.264 17968 2857 1 9 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.582 0.548 17968 2858 1 9 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.586 0.144 17968 2859 1 9 . 1 1 48 48 ALA H H 46 7.790 7.790 7.338 0.452 17968 2860 1 9 . 1 1 49 49 PHE N N 47 123.210 123.210 118.671 4.539 17968 2861 1 9 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.310 0.240 17968 2862 1 9 . 1 1 49 49 PHE CA C 47 60.530 60.530 61.080 -0.550 17968 2863 1 9 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.762 -0.732 17968 2864 1 9 . 1 1 49 49 PHE H H 47 9.040 9.040 7.660 1.380 17968 2865 1 9 . 1 1 50 50 ARG N N 48 119.810 119.810 118.222 1.588 17968 2866 1 9 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.462 -0.412 17968 2867 1 9 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.707 2.423 17968 2868 1 9 . 1 1 50 50 ARG CB C 48 31.030 31.030 30.977 0.053 17968 2869 1 9 . 1 1 50 50 ARG H H 48 8.100 8.100 7.833 0.267 17968 2870 1 9 . 1 1 51 51 ASP N N 49 120.910 120.910 120.343 0.567 17968 2871 1 9 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.662 -0.212 17968 2872 1 9 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.071 0.459 17968 2873 1 9 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.108 -0.178 17968 2874 1 9 . 1 1 51 51 ASP H H 49 8.010 8.010 8.486 -0.476 17968 2875 1 9 . 1 1 52 52 LEU N N 50 118.510 118.510 124.992 -6.482 17968 2876 1 9 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.586 -0.416 17968 2877 1 9 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.566 0.664 17968 2878 1 9 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.512 -4.282 17968 2879 1 9 . 1 1 52 52 LEU H H 50 6.720 6.720 7.811 -1.091 17968 2880 1 9 . 1 1 53 53 CYS N N 51 117.410 117.410 119.141 -1.731 17968 2881 1 9 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.064 -0.154 17968 2882 1 9 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.624 1.106 17968 2883 1 9 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.682 -1.952 17968 2884 1 9 . 1 1 53 53 CYS H H 51 8.030 8.030 8.542 -0.512 17968 2885 1 9 . 1 1 54 54 ILE N N 52 125.110 125.110 124.081 1.029 17968 2886 1 9 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.298 -0.308 17968 2887 1 9 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.925 -1.995 17968 2888 1 9 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.249 -0.519 17968 2889 1 9 . 1 1 54 54 ILE H H 52 8.450 8.450 8.679 -0.229 17968 2890 1 9 . 1 1 55 55 VAL N N 53 127.010 127.010 124.149 2.861 17968 2891 1 9 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.374 -0.024 17968 2892 1 9 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.326 -0.696 17968 2893 1 9 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.524 1.706 17968 2894 1 9 . 1 1 55 55 VAL H H 53 8.120 8.120 8.025 0.095 17968 2895 1 9 . 1 1 56 56 TYR N N 54 125.010 125.010 126.715 -1.705 17968 2896 1 9 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.246 0.134 17968 2897 1 9 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.320 0.110 17968 2898 1 9 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.394 1.637 17968 2899 1 9 . 1 1 56 56 TYR H H 54 8.710 8.710 8.753 -0.043 17968 2900 1 9 . 1 1 57 57 ARG N N 55 123.810 123.810 125.966 -2.156 17968 2901 1 9 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.286 0.344 17968 2902 1 9 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.573 -0.243 17968 2903 1 9 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.195 2.635 17968 2904 1 9 . 1 1 57 57 ARG H H 55 8.860 8.860 8.388 0.472 17968 2905 1 9 . 1 1 58 58 ASP N N 56 129.110 129.110 126.146 2.964 17968 2906 1 9 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.302 -0.002 17968 2907 1 9 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.144 -0.414 17968 2908 1 9 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.320 -0.190 17968 2909 1 9 . 1 1 58 58 ASP H H 56 9.630 9.630 8.919 0.711 17968 2910 1 9 . 1 1 59 59 GLY N N 57 104.510 104.510 105.881 -1.371 17968 2911 1 9 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.426 0.204 17968 2912 1 9 . 1 1 59 59 GLY H H 57 8.710 8.710 8.505 0.205 17968 2913 1 9 . 1 1 60 60 ASN N N 58 122.110 122.110 118.964 3.146 17968 2914 1 9 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.381 -0.001 17968 2915 1 9 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.971 -0.641 17968 2916 1 9 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.904 -1.474 17968 2917 1 9 . 1 1 60 60 ASN H H 58 8.130 8.130 7.987 0.143 17968 2918 1 9 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.554 0.216 17968 2919 1 9 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.888 -0.858 17968 2920 1 9 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.250 2.180 17968 2921 1 9 . 1 1 62 62 TYR N N 60 119.910 119.910 123.840 -3.930 17968 2922 1 9 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.926 -0.576 17968 2923 1 9 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.613 1.517 17968 2924 1 9 . 1 1 62 62 TYR CB C 60 43.430 43.430 43.005 0.424 17968 2925 1 9 . 1 1 62 62 TYR H H 60 8.580 8.580 7.792 0.788 17968 2926 1 9 . 1 1 63 63 ALA N N 61 123.710 123.710 120.824 2.886 17968 2927 1 9 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.622 -0.242 17968 2928 1 9 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.972 -0.642 17968 2929 1 9 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.788 -1.558 17968 2930 1 9 . 1 1 63 63 ALA H H 61 7.980 7.980 9.028 -1.048 17968 2931 1 9 . 1 1 64 64 VAL N N 62 120.610 120.610 117.494 3.116 17968 2932 1 9 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.568 0.912 17968 2933 1 9 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.742 0.588 17968 2934 1 9 . 1 1 64 64 VAL CB C 62 36.230 36.230 34.002 2.228 17968 2935 1 9 . 1 1 64 64 VAL H H 62 6.330 6.330 8.335 -2.005 17968 2936 1 9 . 1 1 65 65 CYS N N 63 130.310 130.310 123.796 6.514 17968 2937 1 9 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.631 -0.071 17968 2938 1 9 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.602 0.828 17968 2939 1 9 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.655 1.375 17968 2940 1 9 . 1 1 65 65 CYS H H 63 9.420 9.420 8.356 1.064 17968 2941 1 9 . 1 1 66 66 ASP N N 64 121.110 121.110 121.296 -0.186 17968 2942 1 9 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.229 0.181 17968 2943 1 9 . 1 1 66 66 ASP CA C 64 58.430 58.430 58.099 0.332 17968 2944 1 9 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.055 1.475 17968 2945 1 9 . 1 1 66 66 ASP H H 64 9.040 9.040 9.150 -0.110 17968 2946 1 9 . 1 1 67 67 LYS N N 65 121.910 121.910 118.998 2.912 17968 2947 1 9 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.119 -0.129 17968 2948 1 9 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.552 0.578 17968 2949 1 9 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.265 0.565 17968 2950 1 9 . 1 1 67 67 LYS H H 65 8.330 8.330 8.262 0.068 17968 2951 1 9 . 1 1 68 68 CYS N N 66 125.510 125.510 118.828 6.682 17968 2952 1 9 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.464 -0.354 17968 2953 1 9 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.489 2.241 17968 2954 1 9 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.928 4.702 17968 2955 1 9 . 1 1 68 68 CYS H H 66 8.690 8.690 7.723 0.967 17968 2956 1 9 . 1 1 69 69 LEU N N 67 125.110 125.110 122.547 2.563 17968 2957 1 9 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.089 -0.059 17968 2958 1 9 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.294 0.336 17968 2959 1 9 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.254 -0.024 17968 2960 1 9 . 1 1 69 69 LEU H H 67 8.460 8.460 8.667 -0.207 17968 2961 1 9 . 1 1 70 70 LYS N N 68 119.210 119.210 116.873 2.337 17968 2962 1 9 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.141 -0.161 17968 2963 1 9 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.026 1.004 17968 2964 1 9 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.564 -0.334 17968 2965 1 9 . 1 1 70 70 LYS H H 68 7.830 7.830 7.713 0.117 17968 2966 1 9 . 1 1 71 71 PHE N N 69 121.710 121.710 120.001 1.709 17968 2967 1 9 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.202 0.068 17968 2968 1 9 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.648 0.482 17968 2969 1 9 . 1 1 71 71 PHE CB C 69 39.430 39.430 40.137 -0.707 17968 2970 1 9 . 1 1 71 71 PHE H H 69 7.810 7.810 7.494 0.316 17968 2971 1 10 . 1 1 4 4 PHE N N 2 122.310 122.310 123.164 -0.854 17968 2972 1 10 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.986 -0.366 17968 2973 1 10 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.421 -1.091 17968 2974 1 10 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.720 -2.290 17968 2975 1 10 . 1 1 4 4 PHE H H 2 8.370 8.370 8.514 -0.144 17968 2976 1 10 . 1 1 5 5 GLN N N 3 123.510 123.510 123.032 0.478 17968 2977 1 10 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.489 -0.299 17968 2978 1 10 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.087 1.942 17968 2979 1 10 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.705 0.225 17968 2980 1 10 . 1 1 5 5 GLN H H 3 8.250 8.250 7.855 0.395 17968 2981 1 10 . 1 1 6 6 ASP N N 4 125.010 125.010 120.154 4.856 17968 2982 1 10 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.544 0.296 17968 2983 1 10 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.391 -1.361 17968 2984 1 10 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.466 0.264 17968 2985 1 10 . 1 1 6 6 ASP H H 4 8.410 8.410 8.493 -0.083 17968 2986 1 10 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.386 -0.266 17968 2987 1 10 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.158 0.972 17968 2988 1 10 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.294 0.036 17968 2989 1 10 . 1 1 8 8 GLN N N 6 119.710 119.710 118.643 1.067 17968 2990 1 10 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.190 -0.040 17968 2991 1 10 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.140 0.490 17968 2992 1 10 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.105 1.224 17968 2993 1 10 . 1 1 8 8 GLN H H 6 8.430 8.430 7.347 1.083 17968 2994 1 10 . 1 1 9 9 GLU N N 7 122.110 122.110 123.820 -1.710 17968 2995 1 10 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.278 -0.098 17968 2996 1 10 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.630 0.500 17968 2997 1 10 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.648 -0.118 17968 2998 1 10 . 1 1 9 9 GLU H H 7 7.940 7.940 9.178 -1.238 17968 2999 1 10 . 1 1 10 10 ARG N N 8 123.410 123.410 116.189 7.221 17968 3000 1 10 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.300 0.110 17968 3001 1 10 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.826 -1.696 17968 3002 1 10 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.639 1.691 17968 3003 1 10 . 1 1 10 10 ARG H H 8 7.670 7.670 8.602 -0.932 17968 3004 1 10 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.615 -0.275 17968 3005 1 10 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.552 0.978 17968 3006 1 10 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.863 -0.233 17968 3007 1 10 . 1 1 12 12 ARG N N 10 123.810 123.810 119.311 4.499 17968 3008 1 10 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.507 0.153 17968 3009 1 10 . 1 1 12 12 ARG CA C 10 56.830 56.830 57.041 -0.211 17968 3010 1 10 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.694 1.836 17968 3011 1 10 . 1 1 12 12 ARG H H 10 8.700 8.700 8.785 -0.085 17968 3012 1 10 . 1 1 13 13 LYS N N 11 118.310 118.310 119.591 -1.281 17968 3013 1 10 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.748 0.302 17968 3014 1 10 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.879 -0.649 17968 3015 1 10 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.553 2.077 17968 3016 1 10 . 1 1 13 13 LYS H H 11 7.810 7.810 8.030 -0.220 17968 3017 1 10 . 1 1 14 14 LEU N N 12 124.810 124.810 128.082 -3.272 17968 3018 1 10 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.239 -0.089 17968 3019 1 10 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.730 -0.100 17968 3020 1 10 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.856 0.674 17968 3021 1 10 . 1 1 14 14 LEU H H 12 10.210 10.210 9.239 0.971 17968 3022 1 10 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.118 0.052 17968 3023 1 10 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.807 1.523 17968 3024 1 10 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.951 -0.421 17968 3025 1 10 . 1 1 16 16 GLN N N 14 117.710 117.710 116.994 0.716 17968 3026 1 10 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.264 -0.104 17968 3027 1 10 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.706 1.424 17968 3028 1 10 . 1 1 16 16 GLN CB C 14 28.630 28.630 29.074 -0.444 17968 3029 1 10 . 1 1 16 16 GLN H H 14 7.100 7.100 7.587 -0.487 17968 3030 1 10 . 1 1 17 17 LEU N N 15 124.610 124.610 122.447 2.163 17968 3031 1 10 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.182 -0.182 17968 3032 1 10 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.174 0.456 17968 3033 1 10 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.992 0.038 17968 3034 1 10 . 1 1 17 17 LEU H H 15 8.020 8.020 7.693 0.327 17968 3035 1 10 . 1 1 18 18 CYS N N 16 117.210 117.210 116.287 0.923 17968 3036 1 10 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.082 -0.352 17968 3037 1 10 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.515 1.315 17968 3038 1 10 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.093 0.137 17968 3039 1 10 . 1 1 18 18 CYS H H 16 8.410 8.410 8.189 0.221 17968 3040 1 10 . 1 1 19 19 THR N N 17 117.710 117.710 116.436 1.274 17968 3041 1 10 . 1 1 19 19 THR HA H 17 3.990 3.990 4.107 -0.117 17968 3042 1 10 . 1 1 19 19 THR CA C 17 66.830 66.830 66.753 0.077 17968 3043 1 10 . 1 1 19 19 THR CB C 17 68.830 68.830 68.589 0.241 17968 3044 1 10 . 1 1 19 19 THR H H 17 7.670 7.670 7.448 0.222 17968 3045 1 10 . 1 1 20 20 GLU N N 18 125.410 125.410 121.632 3.778 17968 3046 1 10 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.186 -0.126 17968 3047 1 10 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.278 0.552 17968 3048 1 10 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.442 0.188 17968 3049 1 10 . 1 1 20 20 GLU H H 18 7.980 7.980 7.796 0.184 17968 3050 1 10 . 1 1 21 21 LEU N N 19 118.810 118.810 117.885 0.925 17968 3051 1 10 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.427 -0.137 17968 3052 1 10 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.886 0.044 17968 3053 1 10 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.443 -0.213 17968 3054 1 10 . 1 1 21 21 LEU H H 19 7.990 7.990 7.599 0.391 17968 3055 1 10 . 1 1 22 22 GLN N N 20 118.310 118.310 115.384 2.926 17968 3056 1 10 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.102 -0.162 17968 3057 1 10 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.127 -0.497 17968 3058 1 10 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.126 0.004 17968 3059 1 10 . 1 1 22 22 GLN H H 20 7.850 7.850 7.661 0.189 17968 3060 1 10 . 1 1 23 23 THR N N 21 115.810 115.810 113.088 2.722 17968 3061 1 10 . 1 1 23 23 THR HA H 21 4.920 4.920 4.647 0.273 17968 3062 1 10 . 1 1 23 23 THR CA C 21 58.730 58.730 59.786 -1.056 17968 3063 1 10 . 1 1 23 23 THR CB C 21 70.330 70.330 71.226 -0.896 17968 3064 1 10 . 1 1 23 23 THR H H 21 8.210 8.210 8.433 -0.223 17968 3065 1 10 . 1 1 24 24 THR N N 22 112.810 112.810 112.576 0.234 17968 3066 1 10 . 1 1 24 24 THR HA H 22 4.860 4.860 4.722 0.138 17968 3067 1 10 . 1 1 24 24 THR CA C 22 59.830 59.830 59.767 0.062 17968 3068 1 10 . 1 1 24 24 THR CB C 22 74.030 74.030 71.349 2.681 17968 3069 1 10 . 1 1 24 24 THR H H 22 8.620 8.620 7.965 0.655 17968 3070 1 10 . 1 1 25 25 ILE N N 23 124.310 124.310 118.645 5.665 17968 3071 1 10 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.824 -0.164 17968 3072 1 10 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.616 0.114 17968 3073 1 10 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.660 0.570 17968 3074 1 10 . 1 1 25 25 ILE H H 23 9.020 9.020 8.437 0.583 17968 3075 1 10 . 1 1 26 26 HIS N N 24 119.210 119.210 114.829 4.381 17968 3076 1 10 . 1 1 26 26 HIS HA H 24 4.380 4.380 5.061 -0.681 17968 3077 1 10 . 1 1 26 26 HIS CA C 24 56.430 56.430 55.803 0.627 17968 3078 1 10 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.375 1.355 17968 3079 1 10 . 1 1 26 26 HIS H H 24 6.870 6.870 7.645 -0.775 17968 3080 1 10 . 1 1 27 27 ASP N N 25 116.510 116.510 118.331 -1.821 17968 3081 1 10 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.660 0.090 17968 3082 1 10 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.597 -0.168 17968 3083 1 10 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.409 0.921 17968 3084 1 10 . 1 1 27 27 ASP H H 25 7.220 7.220 7.607 -0.387 17968 3085 1 10 . 1 1 28 28 ILE N N 26 123.310 123.310 123.087 0.223 17968 3086 1 10 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.948 -0.048 17968 3087 1 10 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.466 0.664 17968 3088 1 10 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.425 -0.495 17968 3089 1 10 . 1 1 28 28 ILE H H 26 7.690 7.690 7.802 -0.112 17968 3090 1 10 . 1 1 29 29 ILE N N 27 130.910 130.910 129.640 1.270 17968 3091 1 10 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.154 0.206 17968 3092 1 10 . 1 1 29 29 ILE CA C 27 58.830 58.830 58.992 -0.162 17968 3093 1 10 . 1 1 29 29 ILE CB C 27 37.730 37.730 36.836 0.894 17968 3094 1 10 . 1 1 29 29 ILE H H 27 8.230 8.230 8.183 0.047 17968 3095 1 10 . 1 1 30 30 LEU N N 28 129.310 129.310 128.636 0.674 17968 3096 1 10 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.374 0.276 17968 3097 1 10 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.760 -1.230 17968 3098 1 10 . 1 1 30 30 LEU CB C 28 48.330 48.330 44.444 3.886 17968 3099 1 10 . 1 1 30 30 LEU H H 28 8.450 8.450 8.409 0.041 17968 3100 1 10 . 1 1 31 31 GLU N N 29 121.810 121.810 119.203 2.607 17968 3101 1 10 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.980 -0.320 17968 3102 1 10 . 1 1 31 31 GLU CA C 29 53.730 53.730 54.546 -0.816 17968 3103 1 10 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.715 0.215 17968 3104 1 10 . 1 1 31 31 GLU H H 29 8.820 8.820 8.335 0.485 17968 3105 1 10 . 1 1 32 32 CYS N N 30 125.510 125.510 121.964 3.546 17968 3106 1 10 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.945 -0.915 17968 3107 1 10 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.600 -1.370 17968 3108 1 10 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.971 3.859 17968 3109 1 10 . 1 1 32 32 CYS H H 30 8.240 8.240 8.752 -0.512 17968 3110 1 10 . 1 1 33 33 VAL N N 31 132.310 132.310 127.028 5.282 17968 3111 1 10 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.272 -0.192 17968 3112 1 10 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.571 -0.241 17968 3113 1 10 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.939 -0.309 17968 3114 1 10 . 1 1 33 33 VAL H H 31 8.880 8.880 8.230 0.650 17968 3115 1 10 . 1 1 34 34 TYR N N 32 124.210 124.210 115.495 8.715 17968 3116 1 10 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.511 -0.061 17968 3117 1 10 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.148 0.882 17968 3118 1 10 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.710 1.320 17968 3119 1 10 . 1 1 34 34 TYR H H 32 8.620 8.620 7.253 1.367 17968 3120 1 10 . 1 1 35 35 CYS N N 33 119.810 119.810 117.075 2.735 17968 3121 1 10 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.286 0.514 17968 3122 1 10 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.423 -0.093 17968 3123 1 10 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.163 5.067 17968 3124 1 10 . 1 1 35 35 CYS H H 33 8.090 8.090 7.614 0.476 17968 3125 1 10 . 1 1 36 36 LYS N N 34 119.810 119.810 116.986 2.824 17968 3126 1 10 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.207 -0.047 17968 3127 1 10 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.934 0.897 17968 3128 1 10 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.786 -1.556 17968 3129 1 10 . 1 1 36 36 LYS H H 34 7.870 7.870 8.107 -0.237 17968 3130 1 10 . 1 1 37 37 GLN N N 35 120.610 120.610 116.763 3.847 17968 3131 1 10 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.544 -0.174 17968 3132 1 10 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.180 1.250 17968 3133 1 10 . 1 1 37 37 GLN CB C 35 29.730 29.730 31.133 -1.403 17968 3134 1 10 . 1 1 37 37 GLN H H 35 8.250 8.250 7.869 0.381 17968 3135 1 10 . 1 1 38 38 GLN N N 36 123.610 123.610 121.426 2.184 17968 3136 1 10 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.260 0.100 17968 3137 1 10 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.648 0.182 17968 3138 1 10 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.951 0.479 17968 3139 1 10 . 1 1 38 38 GLN H H 36 8.630 8.630 8.542 0.088 17968 3140 1 10 . 1 1 39 39 LEU N N 37 131.410 131.410 126.991 4.419 17968 3141 1 10 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.332 -0.232 17968 3142 1 10 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.484 2.746 17968 3143 1 10 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.738 -0.608 17968 3144 1 10 . 1 1 39 39 LEU H H 37 8.830 8.830 8.519 0.311 17968 3145 1 10 . 1 1 40 40 LEU N N 38 126.410 126.410 122.167 4.243 17968 3146 1 10 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.242 0.048 17968 3147 1 10 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.701 -0.371 17968 3148 1 10 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.728 0.202 17968 3149 1 10 . 1 1 40 40 LEU H H 38 9.780 9.780 8.305 1.475 17968 3150 1 10 . 1 1 41 41 ARG N N 39 126.610 126.610 120.728 5.882 17968 3151 1 10 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.691 -0.241 17968 3152 1 10 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.889 -0.959 17968 3153 1 10 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.613 -2.583 17968 3154 1 10 . 1 1 41 41 ARG H H 39 8.880 8.880 8.769 0.111 17968 3155 1 10 . 1 1 42 42 ARG N N 40 116.410 116.410 120.310 -3.900 17968 3156 1 10 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.105 -0.105 17968 3157 1 10 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.488 -0.958 17968 3158 1 10 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.829 3.001 17968 3159 1 10 . 1 1 42 42 ARG H H 40 8.590 8.590 8.673 -0.083 17968 3160 1 10 . 1 1 43 43 GLU N N 41 117.710 117.710 118.268 -0.558 17968 3161 1 10 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.246 0.014 17968 3162 1 10 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.452 0.478 17968 3163 1 10 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.689 1.841 17968 3164 1 10 . 1 1 43 43 GLU H H 41 6.800 6.800 7.799 -0.999 17968 3165 1 10 . 1 1 44 44 VAL N N 42 124.710 124.710 121.719 2.991 17968 3166 1 10 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.556 -0.376 17968 3167 1 10 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.694 0.836 17968 3168 1 10 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.625 -0.295 17968 3169 1 10 . 1 1 44 44 VAL H H 42 7.760 7.760 7.644 0.116 17968 3170 1 10 . 1 1 45 45 TYR N N 43 118.310 118.310 118.478 -0.168 17968 3171 1 10 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.302 -0.112 17968 3172 1 10 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.374 -0.244 17968 3173 1 10 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.448 1.282 17968 3174 1 10 . 1 1 45 45 TYR H H 43 7.600 7.600 7.950 -0.350 17968 3175 1 10 . 1 1 46 46 ASP N N 44 120.910 120.910 119.856 1.054 17968 3176 1 10 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.357 0.353 17968 3177 1 10 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.523 0.507 17968 3178 1 10 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.944 -0.114 17968 3179 1 10 . 1 1 46 46 ASP H H 44 8.660 8.660 7.810 0.850 17968 3180 1 10 . 1 1 47 47 PHE N N 45 125.310 125.310 119.571 5.739 17968 3181 1 10 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.265 -0.335 17968 3182 1 10 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.053 1.577 17968 3183 1 10 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.423 -0.393 17968 3184 1 10 . 1 1 47 47 PHE H H 45 8.250 8.250 8.274 -0.024 17968 3185 1 10 . 1 1 48 48 ALA N N 46 119.710 119.710 121.422 -1.712 17968 3186 1 10 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.207 0.293 17968 3187 1 10 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.590 0.540 17968 3188 1 10 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.311 0.419 17968 3189 1 10 . 1 1 48 48 ALA H H 46 7.790 7.790 7.918 -0.128 17968 3190 1 10 . 1 1 49 49 PHE N N 47 123.210 123.210 117.928 5.282 17968 3191 1 10 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.364 0.186 17968 3192 1 10 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.172 0.358 17968 3193 1 10 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.756 -0.726 17968 3194 1 10 . 1 1 49 49 PHE H H 47 9.040 9.040 7.818 1.222 17968 3195 1 10 . 1 1 50 50 ARG N N 48 119.810 119.810 119.074 0.736 17968 3196 1 10 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.451 -0.401 17968 3197 1 10 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.358 2.772 17968 3198 1 10 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.637 -0.608 17968 3199 1 10 . 1 1 50 50 ARG H H 48 8.100 8.100 7.440 0.660 17968 3200 1 10 . 1 1 51 51 ASP N N 49 120.910 120.910 121.975 -1.065 17968 3201 1 10 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.555 -0.105 17968 3202 1 10 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.188 0.342 17968 3203 1 10 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.649 0.281 17968 3204 1 10 . 1 1 51 51 ASP H H 49 8.010 8.010 8.596 -0.586 17968 3205 1 10 . 1 1 52 52 LEU N N 50 118.510 118.510 120.815 -2.305 17968 3206 1 10 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.348 -0.178 17968 3207 1 10 . 1 1 52 52 LEU CA C 50 54.230 54.230 54.058 0.172 17968 3208 1 10 . 1 1 52 52 LEU CB C 50 41.230 41.230 43.264 -2.034 17968 3209 1 10 . 1 1 52 52 LEU H H 50 6.720 6.720 7.764 -1.044 17968 3210 1 10 . 1 1 53 53 CYS N N 51 117.410 117.410 116.889 0.521 17968 3211 1 10 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.240 -0.330 17968 3212 1 10 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.469 1.260 17968 3213 1 10 . 1 1 53 53 CYS CB C 51 28.730 28.730 31.535 -2.805 17968 3214 1 10 . 1 1 53 53 CYS H H 51 8.030 8.030 8.299 -0.269 17968 3215 1 10 . 1 1 54 54 ILE N N 52 125.110 125.110 122.680 2.430 17968 3216 1 10 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.204 -0.214 17968 3217 1 10 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.905 -1.975 17968 3218 1 10 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.460 -0.730 17968 3219 1 10 . 1 1 54 54 ILE H H 52 8.450 8.450 8.584 -0.134 17968 3220 1 10 . 1 1 55 55 VAL N N 53 127.010 127.010 126.905 0.105 17968 3221 1 10 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.286 0.064 17968 3222 1 10 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.351 -0.721 17968 3223 1 10 . 1 1 55 55 VAL CB C 53 34.230 34.230 33.020 1.210 17968 3224 1 10 . 1 1 55 55 VAL H H 53 8.120 8.120 8.320 -0.200 17968 3225 1 10 . 1 1 56 56 TYR N N 54 125.010 125.010 127.519 -2.509 17968 3226 1 10 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.097 0.283 17968 3227 1 10 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.380 0.050 17968 3228 1 10 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.993 2.037 17968 3229 1 10 . 1 1 56 56 TYR H H 54 8.710 8.710 8.851 -0.141 17968 3230 1 10 . 1 1 57 57 ARG N N 55 123.810 123.810 126.381 -2.571 17968 3231 1 10 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.231 0.399 17968 3232 1 10 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.660 -0.330 17968 3233 1 10 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.280 3.550 17968 3234 1 10 . 1 1 57 57 ARG H H 55 8.860 8.860 8.433 0.427 17968 3235 1 10 . 1 1 58 58 ASP N N 56 129.110 129.110 126.292 2.818 17968 3236 1 10 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.380 -0.080 17968 3237 1 10 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.281 -0.550 17968 3238 1 10 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.247 -0.117 17968 3239 1 10 . 1 1 58 58 ASP H H 56 9.630 9.630 8.889 0.741 17968 3240 1 10 . 1 1 59 59 GLY N N 57 104.510 104.510 106.310 -1.800 17968 3241 1 10 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.465 0.165 17968 3242 1 10 . 1 1 59 59 GLY H H 57 8.710 8.710 8.405 0.305 17968 3243 1 10 . 1 1 60 60 ASN N N 58 122.110 122.110 118.007 4.103 17968 3244 1 10 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.303 0.077 17968 3245 1 10 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.383 -0.053 17968 3246 1 10 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.608 -1.177 17968 3247 1 10 . 1 1 60 60 ASN H H 58 8.130 8.130 7.690 0.440 17968 3248 1 10 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.425 0.345 17968 3249 1 10 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.717 -0.687 17968 3250 1 10 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.258 2.172 17968 3251 1 10 . 1 1 62 62 TYR N N 60 119.910 119.910 123.177 -3.267 17968 3252 1 10 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.597 -0.247 17968 3253 1 10 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.868 1.262 17968 3254 1 10 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.983 0.447 17968 3255 1 10 . 1 1 62 62 TYR H H 60 8.580 8.580 8.475 0.105 17968 3256 1 10 . 1 1 63 63 ALA N N 61 123.710 123.710 121.382 2.328 17968 3257 1 10 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.423 -0.043 17968 3258 1 10 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.605 -0.275 17968 3259 1 10 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.183 -0.953 17968 3260 1 10 . 1 1 63 63 ALA H H 61 7.980 7.980 8.939 -0.959 17968 3261 1 10 . 1 1 64 64 VAL N N 62 120.610 120.610 117.943 2.667 17968 3262 1 10 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.282 1.198 17968 3263 1 10 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.085 0.245 17968 3264 1 10 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.403 2.827 17968 3265 1 10 . 1 1 64 64 VAL H H 62 6.330 6.330 7.890 -1.560 17968 3266 1 10 . 1 1 65 65 CYS N N 63 130.310 130.310 124.258 6.052 17968 3267 1 10 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.487 0.073 17968 3268 1 10 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.982 0.448 17968 3269 1 10 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.494 1.536 17968 3270 1 10 . 1 1 65 65 CYS H H 63 9.420 9.420 8.330 1.090 17968 3271 1 10 . 1 1 66 66 ASP N N 64 121.110 121.110 119.834 1.276 17968 3272 1 10 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.439 -0.029 17968 3273 1 10 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.393 1.037 17968 3274 1 10 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.012 1.518 17968 3275 1 10 . 1 1 66 66 ASP H H 64 9.040 9.040 9.024 0.016 17968 3276 1 10 . 1 1 67 67 LYS N N 65 121.910 121.910 119.183 2.727 17968 3277 1 10 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.371 -0.381 17968 3278 1 10 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.891 1.239 17968 3279 1 10 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.708 0.122 17968 3280 1 10 . 1 1 67 67 LYS H H 65 8.330 8.330 7.588 0.742 17968 3281 1 10 . 1 1 68 68 CYS N N 66 125.510 125.510 119.400 6.110 17968 3282 1 10 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.295 -0.185 17968 3283 1 10 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.990 1.740 17968 3284 1 10 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.656 4.974 17968 3285 1 10 . 1 1 68 68 CYS H H 66 8.690 8.690 7.805 0.885 17968 3286 1 10 . 1 1 69 69 LEU N N 67 125.110 125.110 121.997 3.113 17968 3287 1 10 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.146 -0.116 17968 3288 1 10 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.109 0.521 17968 3289 1 10 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.169 0.062 17968 3290 1 10 . 1 1 69 69 LEU H H 67 8.460 8.460 8.181 0.279 17968 3291 1 10 . 1 1 70 70 LYS N N 68 119.210 119.210 116.347 2.863 17968 3292 1 10 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.217 -0.237 17968 3293 1 10 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.849 1.181 17968 3294 1 10 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.376 -0.146 17968 3295 1 10 . 1 1 70 70 LYS H H 68 7.830 7.830 7.852 -0.022 17968 3296 1 10 . 1 1 71 71 PHE N N 69 121.710 121.710 119.339 2.371 17968 3297 1 10 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.212 0.058 17968 3298 1 10 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.920 -0.790 17968 3299 1 10 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.689 -0.259 17968 3300 1 10 . 1 1 71 71 PHE H H 69 7.810 7.810 7.973 -0.163 17968 3301 1 11 . 1 1 4 4 PHE N N 2 122.310 122.310 121.477 0.833 17968 3302 1 11 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.976 -0.356 17968 3303 1 11 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.555 -0.225 17968 3304 1 11 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.815 -2.385 17968 3305 1 11 . 1 1 4 4 PHE H H 2 8.370 8.370 8.431 -0.061 17968 3306 1 11 . 1 1 5 5 GLN N N 3 123.510 123.510 122.593 0.917 17968 3307 1 11 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.503 -0.313 17968 3308 1 11 . 1 1 5 5 GLN CA C 3 56.030 56.030 55.758 0.272 17968 3309 1 11 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.788 -0.858 17968 3310 1 11 . 1 1 5 5 GLN H H 3 8.250 8.250 9.764 -1.514 17968 3311 1 11 . 1 1 6 6 ASP N N 4 125.010 125.010 119.542 5.468 17968 3312 1 11 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.814 0.026 17968 3313 1 11 . 1 1 6 6 ASP CA C 4 52.030 52.030 52.175 -0.145 17968 3314 1 11 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.415 0.315 17968 3315 1 11 . 1 1 6 6 ASP H H 4 8.410 8.410 8.496 -0.086 17968 3316 1 11 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.450 -0.330 17968 3317 1 11 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.912 0.218 17968 3318 1 11 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.688 -0.358 17968 3319 1 11 . 1 1 8 8 GLN N N 6 119.710 119.710 116.668 3.042 17968 3320 1 11 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.346 -0.196 17968 3321 1 11 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.459 1.171 17968 3322 1 11 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.569 0.761 17968 3323 1 11 . 1 1 8 8 GLN H H 6 8.430 8.430 7.777 0.653 17968 3324 1 11 . 1 1 9 9 GLU N N 7 122.110 122.110 121.861 0.249 17968 3325 1 11 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.251 -0.071 17968 3326 1 11 . 1 1 9 9 GLU CA C 7 56.130 56.130 57.241 -1.111 17968 3327 1 11 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.668 -0.138 17968 3328 1 11 . 1 1 9 9 GLU H H 7 7.940 7.940 8.018 -0.078 17968 3329 1 11 . 1 1 10 10 ARG N N 8 123.410 123.410 119.997 3.413 17968 3330 1 11 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.065 0.345 17968 3331 1 11 . 1 1 10 10 ARG CA C 8 54.130 54.130 52.460 1.670 17968 3332 1 11 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.938 0.392 17968 3333 1 11 . 1 1 10 10 ARG H H 8 7.670 7.670 7.522 0.148 17968 3334 1 11 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.508 -0.168 17968 3335 1 11 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.069 1.461 17968 3336 1 11 . 1 1 11 11 PRO CB C 9 32.630 32.630 33.581 -0.951 17968 3337 1 11 . 1 1 12 12 ARG N N 10 123.810 123.810 117.975 5.835 17968 3338 1 11 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.582 0.078 17968 3339 1 11 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.490 1.339 17968 3340 1 11 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.872 1.658 17968 3341 1 11 . 1 1 12 12 ARG H H 10 8.700 8.700 8.712 -0.012 17968 3342 1 11 . 1 1 13 13 LYS N N 11 118.310 118.310 118.081 0.229 17968 3343 1 11 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.672 0.378 17968 3344 1 11 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.607 -1.377 17968 3345 1 11 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.809 0.821 17968 3346 1 11 . 1 1 13 13 LYS H H 11 7.810 7.810 7.574 0.236 17968 3347 1 11 . 1 1 14 14 LEU N N 12 124.810 124.810 126.941 -2.131 17968 3348 1 11 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.300 -0.150 17968 3349 1 11 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.622 0.008 17968 3350 1 11 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.906 0.624 17968 3351 1 11 . 1 1 14 14 LEU H H 12 10.210 10.210 9.101 1.109 17968 3352 1 11 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.178 -0.008 17968 3353 1 11 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.987 1.343 17968 3354 1 11 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.782 -0.252 17968 3355 1 11 . 1 1 16 16 GLN N N 14 117.710 117.710 117.372 0.338 17968 3356 1 11 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.139 0.021 17968 3357 1 11 . 1 1 16 16 GLN CA C 14 59.130 59.130 59.249 -0.119 17968 3358 1 11 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.192 0.438 17968 3359 1 11 . 1 1 16 16 GLN H H 14 7.100 7.100 8.306 -1.206 17968 3360 1 11 . 1 1 17 17 LEU N N 15 124.610 124.610 122.192 2.418 17968 3361 1 11 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.040 -0.040 17968 3362 1 11 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.298 0.332 17968 3363 1 11 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.875 0.155 17968 3364 1 11 . 1 1 17 17 LEU H H 15 8.020 8.020 8.434 -0.414 17968 3365 1 11 . 1 1 18 18 CYS N N 16 117.210 117.210 116.769 0.441 17968 3366 1 11 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.060 -0.330 17968 3367 1 11 . 1 1 18 18 CYS CA C 16 64.830 64.830 64.252 0.578 17968 3368 1 11 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.491 -0.261 17968 3369 1 11 . 1 1 18 18 CYS H H 16 8.410 8.410 8.594 -0.184 17968 3370 1 11 . 1 1 19 19 THR N N 17 117.710 117.710 116.986 0.724 17968 3371 1 11 . 1 1 19 19 THR HA H 17 3.990 3.990 4.085 -0.095 17968 3372 1 11 . 1 1 19 19 THR CA C 17 66.830 66.830 66.606 0.224 17968 3373 1 11 . 1 1 19 19 THR CB C 17 68.830 68.830 68.682 0.148 17968 3374 1 11 . 1 1 19 19 THR H H 17 7.670 7.670 7.792 -0.122 17968 3375 1 11 . 1 1 20 20 GLU N N 18 125.410 125.410 121.811 3.599 17968 3376 1 11 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.203 -0.143 17968 3377 1 11 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.127 0.703 17968 3378 1 11 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.648 -0.018 17968 3379 1 11 . 1 1 20 20 GLU H H 18 7.980 7.980 8.313 -0.333 17968 3380 1 11 . 1 1 21 21 LEU N N 19 118.810 118.810 117.313 1.497 17968 3381 1 11 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.263 0.027 17968 3382 1 11 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.925 0.005 17968 3383 1 11 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.292 -0.062 17968 3384 1 11 . 1 1 21 21 LEU H H 19 7.990 7.990 7.829 0.161 17968 3385 1 11 . 1 1 22 22 GLN N N 20 118.310 118.310 115.400 2.910 17968 3386 1 11 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.061 -0.121 17968 3387 1 11 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.007 -0.377 17968 3388 1 11 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.444 -0.314 17968 3389 1 11 . 1 1 22 22 GLN H H 20 7.850 7.850 7.657 0.193 17968 3390 1 11 . 1 1 23 23 THR N N 21 115.810 115.810 112.631 3.179 17968 3391 1 11 . 1 1 23 23 THR HA H 21 4.920 4.920 4.857 0.063 17968 3392 1 11 . 1 1 23 23 THR CA C 21 58.730 58.730 60.543 -1.813 17968 3393 1 11 . 1 1 23 23 THR CB C 21 70.330 70.330 70.856 -0.526 17968 3394 1 11 . 1 1 23 23 THR H H 21 8.210 8.210 8.332 -0.122 17968 3395 1 11 . 1 1 24 24 THR N N 22 112.810 112.810 111.232 1.578 17968 3396 1 11 . 1 1 24 24 THR HA H 22 4.860 4.860 4.935 -0.075 17968 3397 1 11 . 1 1 24 24 THR CA C 22 59.830 59.830 59.353 0.477 17968 3398 1 11 . 1 1 24 24 THR CB C 22 74.030 74.030 71.406 2.623 17968 3399 1 11 . 1 1 24 24 THR H H 22 8.620 8.620 8.055 0.565 17968 3400 1 11 . 1 1 25 25 ILE N N 23 124.310 124.310 116.410 7.900 17968 3401 1 11 . 1 1 25 25 ILE HA H 23 3.660 3.660 4.003 -0.343 17968 3402 1 11 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.231 0.499 17968 3403 1 11 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.222 1.008 17968 3404 1 11 . 1 1 25 25 ILE H H 23 9.020 9.020 8.520 0.500 17968 3405 1 11 . 1 1 26 26 HIS N N 24 119.210 119.210 113.753 5.457 17968 3406 1 11 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.828 -0.448 17968 3407 1 11 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.004 0.426 17968 3408 1 11 . 1 1 26 26 HIS CB C 24 30.730 30.730 31.369 -0.639 17968 3409 1 11 . 1 1 26 26 HIS H H 24 6.870 6.870 7.484 -0.614 17968 3410 1 11 . 1 1 27 27 ASP N N 25 116.510 116.510 119.175 -2.665 17968 3411 1 11 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.689 0.061 17968 3412 1 11 . 1 1 27 27 ASP CA C 25 54.430 54.430 53.954 0.476 17968 3413 1 11 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.977 1.353 17968 3414 1 11 . 1 1 27 27 ASP H H 25 7.220 7.220 7.632 -0.412 17968 3415 1 11 . 1 1 28 28 ILE N N 26 123.310 123.310 122.009 1.301 17968 3416 1 11 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.012 -0.112 17968 3417 1 11 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.413 0.717 17968 3418 1 11 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.842 -0.912 17968 3419 1 11 . 1 1 28 28 ILE H H 26 7.690 7.690 7.598 0.092 17968 3420 1 11 . 1 1 29 29 ILE N N 27 130.910 130.910 128.981 1.929 17968 3421 1 11 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.203 0.157 17968 3422 1 11 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.922 -1.092 17968 3423 1 11 . 1 1 29 29 ILE CB C 27 37.730 37.730 36.664 1.065 17968 3424 1 11 . 1 1 29 29 ILE H H 27 8.230 8.230 8.313 -0.083 17968 3425 1 11 . 1 1 30 30 LEU N N 28 129.310 129.310 128.803 0.507 17968 3426 1 11 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.611 0.039 17968 3427 1 11 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.769 -1.239 17968 3428 1 11 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.376 1.954 17968 3429 1 11 . 1 1 30 30 LEU H H 28 8.450 8.450 8.530 -0.080 17968 3430 1 11 . 1 1 31 31 GLU N N 29 121.810 121.810 119.276 2.534 17968 3431 1 11 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.952 -0.292 17968 3432 1 11 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.477 0.253 17968 3433 1 11 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.435 0.495 17968 3434 1 11 . 1 1 31 31 GLU H H 29 8.820 8.820 8.558 0.262 17968 3435 1 11 . 1 1 32 32 CYS N N 30 125.510 125.510 121.050 4.460 17968 3436 1 11 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.042 -1.012 17968 3437 1 11 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.331 -1.101 17968 3438 1 11 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.174 3.656 17968 3439 1 11 . 1 1 32 32 CYS H H 30 8.240 8.240 8.783 -0.543 17968 3440 1 11 . 1 1 33 33 VAL N N 31 132.310 132.310 126.475 5.835 17968 3441 1 11 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.250 -0.170 17968 3442 1 11 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.158 0.172 17968 3443 1 11 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.006 -0.376 17968 3444 1 11 . 1 1 33 33 VAL H H 31 8.880 8.880 8.141 0.739 17968 3445 1 11 . 1 1 34 34 TYR N N 32 124.210 124.210 115.920 8.290 17968 3446 1 11 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.510 -0.060 17968 3447 1 11 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.647 1.383 17968 3448 1 11 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.130 0.899 17968 3449 1 11 . 1 1 34 34 TYR H H 32 8.620 8.620 7.492 1.128 17968 3450 1 11 . 1 1 35 35 CYS N N 33 119.810 119.810 115.849 3.961 17968 3451 1 11 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.697 0.103 17968 3452 1 11 . 1 1 35 35 CYS CA C 33 59.330 59.330 58.943 0.387 17968 3453 1 11 . 1 1 35 35 CYS CB C 33 32.230 32.230 28.390 3.840 17968 3454 1 11 . 1 1 35 35 CYS H H 33 8.090 8.090 7.803 0.287 17968 3455 1 11 . 1 1 36 36 LYS N N 34 119.810 119.810 118.763 1.047 17968 3456 1 11 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.136 0.024 17968 3457 1 11 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.948 0.882 17968 3458 1 11 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.826 -1.596 17968 3459 1 11 . 1 1 36 36 LYS H H 34 7.870 7.870 7.806 0.064 17968 3460 1 11 . 1 1 37 37 GLN N N 35 120.610 120.610 117.642 2.968 17968 3461 1 11 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.499 -0.129 17968 3462 1 11 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.513 0.917 17968 3463 1 11 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.533 -0.803 17968 3464 1 11 . 1 1 37 37 GLN H H 35 8.250 8.250 7.953 0.297 17968 3465 1 11 . 1 1 38 38 GLN N N 36 123.610 123.610 124.930 -1.320 17968 3466 1 11 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.253 0.107 17968 3467 1 11 . 1 1 38 38 GLN CA C 36 56.830 56.830 57.273 -0.443 17968 3468 1 11 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.668 0.762 17968 3469 1 11 . 1 1 38 38 GLN H H 36 8.630 8.630 8.632 -0.002 17968 3470 1 11 . 1 1 39 39 LEU N N 37 131.410 131.410 126.154 5.256 17968 3471 1 11 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.308 -0.208 17968 3472 1 11 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.736 2.494 17968 3473 1 11 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.969 -0.840 17968 3474 1 11 . 1 1 39 39 LEU H H 37 8.830 8.830 8.604 0.226 17968 3475 1 11 . 1 1 40 40 LEU N N 38 126.410 126.410 121.869 4.541 17968 3476 1 11 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.478 -0.188 17968 3477 1 11 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.867 0.463 17968 3478 1 11 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.978 -0.048 17968 3479 1 11 . 1 1 40 40 LEU H H 38 9.780 9.780 8.039 1.741 17968 3480 1 11 . 1 1 41 41 ARG N N 39 126.610 126.610 121.531 5.079 17968 3481 1 11 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.849 -0.399 17968 3482 1 11 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.281 -1.351 17968 3483 1 11 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.962 -2.932 17968 3484 1 11 . 1 1 41 41 ARG H H 39 8.880 8.880 8.744 0.136 17968 3485 1 11 . 1 1 42 42 ARG N N 40 116.410 116.410 117.678 -1.268 17968 3486 1 11 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.942 0.058 17968 3487 1 11 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.346 -0.817 17968 3488 1 11 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.572 3.258 17968 3489 1 11 . 1 1 42 42 ARG H H 40 8.590 8.590 8.344 0.246 17968 3490 1 11 . 1 1 43 43 GLU N N 41 117.710 117.710 119.373 -1.663 17968 3491 1 11 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.200 0.060 17968 3492 1 11 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.588 0.342 17968 3493 1 11 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.640 1.889 17968 3494 1 11 . 1 1 43 43 GLU H H 41 6.800 6.800 7.788 -0.988 17968 3495 1 11 . 1 1 44 44 VAL N N 42 124.710 124.710 120.565 4.145 17968 3496 1 11 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.728 -0.548 17968 3497 1 11 . 1 1 44 44 VAL CA C 42 67.530 67.530 65.691 1.839 17968 3498 1 11 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.946 0.384 17968 3499 1 11 . 1 1 44 44 VAL H H 42 7.760 7.760 7.866 -0.106 17968 3500 1 11 . 1 1 45 45 TYR N N 43 118.310 118.310 119.687 -1.377 17968 3501 1 11 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.211 -0.021 17968 3502 1 11 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.158 -0.028 17968 3503 1 11 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.126 1.604 17968 3504 1 11 . 1 1 45 45 TYR H H 43 7.600 7.600 7.481 0.119 17968 3505 1 11 . 1 1 46 46 ASP N N 44 120.910 120.910 120.321 0.589 17968 3506 1 11 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.470 0.240 17968 3507 1 11 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.461 0.569 17968 3508 1 11 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.289 0.541 17968 3509 1 11 . 1 1 46 46 ASP H H 44 8.660 8.660 7.811 0.849 17968 3510 1 11 . 1 1 47 47 PHE N N 45 125.310 125.310 119.371 5.939 17968 3511 1 11 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.205 -0.275 17968 3512 1 11 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.552 1.078 17968 3513 1 11 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.138 -0.108 17968 3514 1 11 . 1 1 47 47 PHE H H 45 8.250 8.250 8.080 0.170 17968 3515 1 11 . 1 1 48 48 ALA N N 46 119.710 119.710 119.737 -0.027 17968 3516 1 11 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.237 0.263 17968 3517 1 11 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.396 0.734 17968 3518 1 11 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.748 -0.018 17968 3519 1 11 . 1 1 48 48 ALA H H 46 7.790 7.790 7.250 0.540 17968 3520 1 11 . 1 1 49 49 PHE N N 47 123.210 123.210 118.865 4.345 17968 3521 1 11 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.362 0.188 17968 3522 1 11 . 1 1 49 49 PHE CA C 47 60.530 60.530 59.986 0.544 17968 3523 1 11 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.971 -0.941 17968 3524 1 11 . 1 1 49 49 PHE H H 47 9.040 9.040 8.075 0.965 17968 3525 1 11 . 1 1 50 50 ARG N N 48 119.810 119.810 118.440 1.370 17968 3526 1 11 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.372 -0.322 17968 3527 1 11 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.103 3.027 17968 3528 1 11 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.625 -0.595 17968 3529 1 11 . 1 1 50 50 ARG H H 48 8.100 8.100 7.682 0.418 17968 3530 1 11 . 1 1 51 51 ASP N N 49 120.910 120.910 121.228 -0.318 17968 3531 1 11 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.559 -0.109 17968 3532 1 11 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.353 0.177 17968 3533 1 11 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.909 0.021 17968 3534 1 11 . 1 1 51 51 ASP H H 49 8.010 8.010 8.470 -0.460 17968 3535 1 11 . 1 1 52 52 LEU N N 50 118.510 118.510 125.012 -6.502 17968 3536 1 11 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.490 -0.320 17968 3537 1 11 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.550 0.680 17968 3538 1 11 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.937 -3.707 17968 3539 1 11 . 1 1 52 52 LEU H H 50 6.720 6.720 7.574 -0.854 17968 3540 1 11 . 1 1 53 53 CYS N N 51 117.410 117.410 118.759 -1.349 17968 3541 1 11 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.852 0.058 17968 3542 1 11 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.029 1.700 17968 3543 1 11 . 1 1 53 53 CYS CB C 51 28.730 28.730 29.789 -1.059 17968 3544 1 11 . 1 1 53 53 CYS H H 51 8.030 8.030 8.316 -0.286 17968 3545 1 11 . 1 1 54 54 ILE N N 52 125.110 125.110 122.921 2.189 17968 3546 1 11 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.231 -0.241 17968 3547 1 11 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.766 -1.836 17968 3548 1 11 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.379 -0.649 17968 3549 1 11 . 1 1 54 54 ILE H H 52 8.450 8.450 8.336 0.114 17968 3550 1 11 . 1 1 55 55 VAL N N 53 127.010 127.010 126.606 0.404 17968 3551 1 11 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.184 0.166 17968 3552 1 11 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.807 -1.177 17968 3553 1 11 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.912 2.318 17968 3554 1 11 . 1 1 55 55 VAL H H 53 8.120 8.120 8.218 -0.098 17968 3555 1 11 . 1 1 56 56 TYR N N 54 125.010 125.010 128.995 -3.985 17968 3556 1 11 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.226 0.154 17968 3557 1 11 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.676 -0.246 17968 3558 1 11 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.356 1.674 17968 3559 1 11 . 1 1 56 56 TYR H H 54 8.710 8.710 8.597 0.113 17968 3560 1 11 . 1 1 57 57 ARG N N 55 123.810 123.810 125.633 -1.823 17968 3561 1 11 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.565 0.065 17968 3562 1 11 . 1 1 57 57 ARG CA C 55 55.330 55.330 54.783 0.547 17968 3563 1 11 . 1 1 57 57 ARG CB C 55 32.830 32.830 31.062 1.768 17968 3564 1 11 . 1 1 57 57 ARG H H 55 8.860 8.860 8.372 0.488 17968 3565 1 11 . 1 1 58 58 ASP N N 56 129.110 129.110 124.029 5.081 17968 3566 1 11 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.340 -0.040 17968 3567 1 11 . 1 1 58 58 ASP CA C 56 55.730 55.730 55.866 -0.136 17968 3568 1 11 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.762 -0.632 17968 3569 1 11 . 1 1 58 58 ASP H H 56 9.630 9.630 9.370 0.260 17968 3570 1 11 . 1 1 59 59 GLY N N 57 104.510 104.510 103.024 1.486 17968 3571 1 11 . 1 1 59 59 GLY CA C 57 45.630 45.630 44.813 0.817 17968 3572 1 11 . 1 1 59 59 GLY H H 57 8.710 8.710 8.098 0.612 17968 3573 1 11 . 1 1 60 60 ASN N N 58 122.110 122.110 121.018 1.092 17968 3574 1 11 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.116 0.264 17968 3575 1 11 . 1 1 60 60 ASN CA C 58 50.330 50.330 51.536 -1.206 17968 3576 1 11 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.792 0.638 17968 3577 1 11 . 1 1 60 60 ASN H H 58 8.130 8.130 8.004 0.126 17968 3578 1 11 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.537 0.233 17968 3579 1 11 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.587 -0.557 17968 3580 1 11 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.045 2.385 17968 3581 1 11 . 1 1 62 62 TYR N N 60 119.910 119.910 124.502 -4.592 17968 3582 1 11 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.983 -0.633 17968 3583 1 11 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.433 1.697 17968 3584 1 11 . 1 1 62 62 TYR CB C 60 43.430 43.430 41.812 1.618 17968 3585 1 11 . 1 1 62 62 TYR H H 60 8.580 8.580 8.101 0.479 17968 3586 1 11 . 1 1 63 63 ALA N N 61 123.710 123.710 122.348 1.362 17968 3587 1 11 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.374 0.006 17968 3588 1 11 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.120 0.210 17968 3589 1 11 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.548 -1.318 17968 3590 1 11 . 1 1 63 63 ALA H H 61 7.980 7.980 8.771 -0.791 17968 3591 1 11 . 1 1 64 64 VAL N N 62 120.610 120.610 117.688 2.922 17968 3592 1 11 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.380 1.100 17968 3593 1 11 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.019 0.311 17968 3594 1 11 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.277 2.953 17968 3595 1 11 . 1 1 64 64 VAL H H 62 6.330 6.330 7.798 -1.468 17968 3596 1 11 . 1 1 65 65 CYS N N 63 130.310 130.310 124.050 6.260 17968 3597 1 11 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.513 0.047 17968 3598 1 11 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.743 0.687 17968 3599 1 11 . 1 1 65 65 CYS CB C 63 31.030 31.030 28.819 2.211 17968 3600 1 11 . 1 1 65 65 CYS H H 63 9.420 9.420 8.697 0.723 17968 3601 1 11 . 1 1 66 66 ASP N N 64 121.110 121.110 121.285 -0.175 17968 3602 1 11 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.196 0.214 17968 3603 1 11 . 1 1 66 66 ASP CA C 64 58.430 58.430 58.350 0.080 17968 3604 1 11 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.079 1.451 17968 3605 1 11 . 1 1 66 66 ASP H H 64 9.040 9.040 9.122 -0.082 17968 3606 1 11 . 1 1 67 67 LYS N N 65 121.910 121.910 118.401 3.509 17968 3607 1 11 . 1 1 67 67 LYS HA H 65 3.990 3.990 3.690 0.300 17968 3608 1 11 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.446 0.684 17968 3609 1 11 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.036 0.794 17968 3610 1 11 . 1 1 67 67 LYS H H 65 8.330 8.330 8.429 -0.099 17968 3611 1 11 . 1 1 68 68 CYS N N 66 125.510 125.510 117.352 8.158 17968 3612 1 11 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.520 -0.410 17968 3613 1 11 . 1 1 68 68 CYS CA C 66 63.730 63.730 60.875 2.855 17968 3614 1 11 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.315 4.315 17968 3615 1 11 . 1 1 68 68 CYS H H 66 8.690 8.690 7.991 0.699 17968 3616 1 11 . 1 1 69 69 LEU N N 67 125.110 125.110 120.979 4.131 17968 3617 1 11 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.140 -0.110 17968 3618 1 11 . 1 1 69 69 LEU CA C 67 58.630 58.630 57.795 0.835 17968 3619 1 11 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.940 0.290 17968 3620 1 11 . 1 1 69 69 LEU H H 67 8.460 8.460 8.339 0.121 17968 3621 1 11 . 1 1 70 70 LYS N N 68 119.210 119.210 116.408 2.802 17968 3622 1 11 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.202 -0.222 17968 3623 1 11 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.155 0.875 17968 3624 1 11 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.425 -0.195 17968 3625 1 11 . 1 1 70 70 LYS H H 68 7.830 7.830 7.387 0.443 17968 3626 1 11 . 1 1 71 71 PHE N N 69 121.710 121.710 117.866 3.844 17968 3627 1 11 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.312 -0.042 17968 3628 1 11 . 1 1 71 71 PHE CA C 69 60.130 60.130 58.967 1.163 17968 3629 1 11 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.844 0.585 17968 3630 1 11 . 1 1 71 71 PHE H H 69 7.810 7.810 7.386 0.424 17968 3631 1 12 . 1 1 4 4 PHE N N 2 122.310 122.310 122.246 0.064 17968 3632 1 12 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.852 -0.232 17968 3633 1 12 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.484 -0.154 17968 3634 1 12 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.904 -2.474 17968 3635 1 12 . 1 1 4 4 PHE H H 2 8.370 8.370 8.693 -0.323 17968 3636 1 12 . 1 1 5 5 GLN N N 3 123.510 123.510 124.132 -0.622 17968 3637 1 12 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.572 -0.382 17968 3638 1 12 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.630 1.400 17968 3639 1 12 . 1 1 5 5 GLN CB C 3 29.930 29.930 32.066 -2.136 17968 3640 1 12 . 1 1 5 5 GLN H H 3 8.250 8.250 8.354 -0.104 17968 3641 1 12 . 1 1 6 6 ASP N N 4 125.010 125.010 118.799 6.211 17968 3642 1 12 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.520 0.320 17968 3643 1 12 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.193 -1.163 17968 3644 1 12 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.650 1.080 17968 3645 1 12 . 1 1 6 6 ASP H H 4 8.410 8.410 8.390 0.020 17968 3646 1 12 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.418 -0.298 17968 3647 1 12 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.937 1.193 17968 3648 1 12 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.914 0.416 17968 3649 1 12 . 1 1 8 8 GLN N N 6 119.710 119.710 120.130 -0.420 17968 3650 1 12 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.331 -0.181 17968 3651 1 12 . 1 1 8 8 GLN CA C 6 56.630 56.630 54.986 1.644 17968 3652 1 12 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.218 1.112 17968 3653 1 12 . 1 1 8 8 GLN H H 6 8.430 8.430 7.346 1.084 17968 3654 1 12 . 1 1 9 9 GLU N N 7 122.110 122.110 124.289 -2.179 17968 3655 1 12 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.127 0.053 17968 3656 1 12 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.535 -0.405 17968 3657 1 12 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.960 0.570 17968 3658 1 12 . 1 1 9 9 GLU H H 7 7.940 7.940 8.833 -0.893 17968 3659 1 12 . 1 1 10 10 ARG N N 8 123.410 123.410 116.589 6.821 17968 3660 1 12 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.284 0.126 17968 3661 1 12 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.633 -1.504 17968 3662 1 12 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.031 1.299 17968 3663 1 12 . 1 1 10 10 ARG H H 8 7.670 7.670 8.182 -0.512 17968 3664 1 12 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.521 -0.181 17968 3665 1 12 . 1 1 11 11 PRO CA C 9 63.530 63.530 61.988 1.542 17968 3666 1 12 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.751 -0.121 17968 3667 1 12 . 1 1 12 12 ARG N N 10 123.810 123.810 120.871 2.939 17968 3668 1 12 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.582 0.078 17968 3669 1 12 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.648 0.182 17968 3670 1 12 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.778 1.752 17968 3671 1 12 . 1 1 12 12 ARG H H 10 8.700 8.700 8.710 -0.010 17968 3672 1 12 . 1 1 13 13 LYS N N 11 118.310 118.310 119.371 -1.061 17968 3673 1 12 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.406 0.644 17968 3674 1 12 . 1 1 13 13 LYS CA C 11 53.230 53.230 55.601 -2.371 17968 3675 1 12 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.090 2.540 17968 3676 1 12 . 1 1 13 13 LYS H H 11 7.810 7.810 7.713 0.097 17968 3677 1 12 . 1 1 14 14 LEU N N 12 124.810 124.810 128.473 -3.663 17968 3678 1 12 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.258 -0.108 17968 3679 1 12 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.665 -0.035 17968 3680 1 12 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.845 0.685 17968 3681 1 12 . 1 1 14 14 LEU H H 12 10.210 10.210 9.065 1.145 17968 3682 1 12 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.175 -0.005 17968 3683 1 12 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.736 1.594 17968 3684 1 12 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.873 -0.343 17968 3685 1 12 . 1 1 16 16 GLN N N 14 117.710 117.710 117.510 0.200 17968 3686 1 12 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.195 -0.035 17968 3687 1 12 . 1 1 16 16 GLN CA C 14 59.130 59.130 59.157 -0.027 17968 3688 1 12 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.427 0.203 17968 3689 1 12 . 1 1 16 16 GLN H H 14 7.100 7.100 7.434 -0.334 17968 3690 1 12 . 1 1 17 17 LEU N N 15 124.610 124.610 121.848 2.762 17968 3691 1 12 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.082 -0.082 17968 3692 1 12 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.887 0.743 17968 3693 1 12 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.489 0.541 17968 3694 1 12 . 1 1 17 17 LEU H H 15 8.020 8.020 8.066 -0.046 17968 3695 1 12 . 1 1 18 18 CYS N N 16 117.210 117.210 117.197 0.013 17968 3696 1 12 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.057 -0.327 17968 3697 1 12 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.752 1.078 17968 3698 1 12 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.470 -0.240 17968 3699 1 12 . 1 1 18 18 CYS H H 16 8.410 8.410 8.018 0.392 17968 3700 1 12 . 1 1 19 19 THR N N 17 117.710 117.710 115.132 2.578 17968 3701 1 12 . 1 1 19 19 THR HA H 17 3.990 3.990 4.104 -0.114 17968 3702 1 12 . 1 1 19 19 THR CA C 17 66.830 66.830 65.624 1.206 17968 3703 1 12 . 1 1 19 19 THR CB C 17 68.830 68.830 68.338 0.492 17968 3704 1 12 . 1 1 19 19 THR H H 17 7.670 7.670 7.935 -0.265 17968 3705 1 12 . 1 1 20 20 GLU N N 18 125.410 125.410 121.367 4.043 17968 3706 1 12 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.295 -0.235 17968 3707 1 12 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.157 0.673 17968 3708 1 12 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.477 0.152 17968 3709 1 12 . 1 1 20 20 GLU H H 18 7.980 7.980 8.371 -0.391 17968 3710 1 12 . 1 1 21 21 LEU N N 19 118.810 118.810 117.799 1.011 17968 3711 1 12 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.545 -0.255 17968 3712 1 12 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.039 -0.109 17968 3713 1 12 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.574 -0.344 17968 3714 1 12 . 1 1 21 21 LEU H H 19 7.990 7.990 7.702 0.288 17968 3715 1 12 . 1 1 22 22 GLN N N 20 118.310 118.310 117.116 1.194 17968 3716 1 12 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.119 -0.179 17968 3717 1 12 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.169 -0.539 17968 3718 1 12 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.242 -0.112 17968 3719 1 12 . 1 1 22 22 GLN H H 20 7.850 7.850 7.594 0.256 17968 3720 1 12 . 1 1 23 23 THR N N 21 115.810 115.810 113.140 2.670 17968 3721 1 12 . 1 1 23 23 THR HA H 21 4.920 4.920 4.804 0.116 17968 3722 1 12 . 1 1 23 23 THR CA C 21 58.730 58.730 60.887 -2.157 17968 3723 1 12 . 1 1 23 23 THR CB C 21 70.330 70.330 70.150 0.180 17968 3724 1 12 . 1 1 23 23 THR H H 21 8.210 8.210 8.568 -0.358 17968 3725 1 12 . 1 1 24 24 THR N N 22 112.810 112.810 112.664 0.146 17968 3726 1 12 . 1 1 24 24 THR HA H 22 4.860 4.860 4.843 0.017 17968 3727 1 12 . 1 1 24 24 THR CA C 22 59.830 59.830 60.075 -0.245 17968 3728 1 12 . 1 1 24 24 THR CB C 22 74.030 74.030 71.313 2.717 17968 3729 1 12 . 1 1 24 24 THR H H 22 8.620 8.620 8.071 0.549 17968 3730 1 12 . 1 1 25 25 ILE N N 23 124.310 124.310 116.327 7.983 17968 3731 1 12 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.897 -0.237 17968 3732 1 12 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.601 0.129 17968 3733 1 12 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.659 0.571 17968 3734 1 12 . 1 1 25 25 ILE H H 23 9.020 9.020 8.232 0.788 17968 3735 1 12 . 1 1 26 26 HIS N N 24 119.210 119.210 113.033 6.177 17968 3736 1 12 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.808 -0.428 17968 3737 1 12 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.154 0.276 17968 3738 1 12 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.500 0.230 17968 3739 1 12 . 1 1 26 26 HIS H H 24 6.870 6.870 7.651 -0.781 17968 3740 1 12 . 1 1 27 27 ASP N N 25 116.510 116.510 119.087 -2.577 17968 3741 1 12 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.701 0.049 17968 3742 1 12 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.043 0.387 17968 3743 1 12 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.713 1.617 17968 3744 1 12 . 1 1 27 27 ASP H H 25 7.220 7.220 7.618 -0.398 17968 3745 1 12 . 1 1 28 28 ILE N N 26 123.310 123.310 121.341 1.969 17968 3746 1 12 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.013 -0.113 17968 3747 1 12 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.219 0.911 17968 3748 1 12 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.648 -0.718 17968 3749 1 12 . 1 1 28 28 ILE H H 26 7.690 7.690 7.662 0.028 17968 3750 1 12 . 1 1 29 29 ILE N N 27 130.910 130.910 129.752 1.158 17968 3751 1 12 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.103 0.257 17968 3752 1 12 . 1 1 29 29 ILE CA C 27 58.830 58.830 60.029 -1.198 17968 3753 1 12 . 1 1 29 29 ILE CB C 27 37.730 37.730 35.595 2.135 17968 3754 1 12 . 1 1 29 29 ILE H H 27 8.230 8.230 8.341 -0.111 17968 3755 1 12 . 1 1 30 30 LEU N N 28 129.310 129.310 129.267 0.043 17968 3756 1 12 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.648 0.002 17968 3757 1 12 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.873 -1.343 17968 3758 1 12 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.500 2.830 17968 3759 1 12 . 1 1 30 30 LEU H H 28 8.450 8.450 7.971 0.479 17968 3760 1 12 . 1 1 31 31 GLU N N 29 121.810 121.810 121.578 0.232 17968 3761 1 12 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.837 -0.177 17968 3762 1 12 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.875 -0.145 17968 3763 1 12 . 1 1 31 31 GLU CB C 29 32.930 32.930 33.142 -0.211 17968 3764 1 12 . 1 1 31 31 GLU H H 29 8.820 8.820 8.764 0.056 17968 3765 1 12 . 1 1 32 32 CYS N N 30 125.510 125.510 120.478 5.032 17968 3766 1 12 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.639 -0.609 17968 3767 1 12 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.773 -1.543 17968 3768 1 12 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.738 4.092 17968 3769 1 12 . 1 1 32 32 CYS H H 30 8.240 8.240 8.778 -0.538 17968 3770 1 12 . 1 1 33 33 VAL N N 31 132.310 132.310 127.151 5.159 17968 3771 1 12 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.375 -0.295 17968 3772 1 12 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.192 0.138 17968 3773 1 12 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.057 -0.427 17968 3774 1 12 . 1 1 33 33 VAL H H 31 8.880 8.880 8.382 0.498 17968 3775 1 12 . 1 1 34 34 TYR N N 32 124.210 124.210 118.129 6.081 17968 3776 1 12 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.440 0.010 17968 3777 1 12 . 1 1 34 34 TYR CA C 32 61.030 61.030 61.271 -0.241 17968 3778 1 12 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.834 1.196 17968 3779 1 12 . 1 1 34 34 TYR H H 32 8.620 8.620 7.513 1.107 17968 3780 1 12 . 1 1 35 35 CYS N N 33 119.810 119.810 115.050 4.760 17968 3781 1 12 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.354 0.447 17968 3782 1 12 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.677 -0.347 17968 3783 1 12 . 1 1 35 35 CYS CB C 33 32.230 32.230 26.767 5.463 17968 3784 1 12 . 1 1 35 35 CYS H H 33 8.090 8.090 7.962 0.128 17968 3785 1 12 . 1 1 36 36 LYS N N 34 119.810 119.810 114.897 4.913 17968 3786 1 12 . 1 1 36 36 LYS HA H 34 4.160 4.160 3.867 0.293 17968 3787 1 12 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.822 1.008 17968 3788 1 12 . 1 1 36 36 LYS CB C 34 29.230 29.230 29.375 -0.145 17968 3789 1 12 . 1 1 36 36 LYS H H 34 7.870 7.870 8.194 -0.324 17968 3790 1 12 . 1 1 37 37 GLN N N 35 120.610 120.610 115.484 5.126 17968 3791 1 12 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.440 -0.070 17968 3792 1 12 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.919 0.511 17968 3793 1 12 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.571 0.159 17968 3794 1 12 . 1 1 37 37 GLN H H 35 8.250 8.250 7.798 0.452 17968 3795 1 12 . 1 1 38 38 GLN N N 36 123.610 123.610 123.755 -0.145 17968 3796 1 12 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.118 0.242 17968 3797 1 12 . 1 1 38 38 GLN CA C 36 56.830 56.830 55.776 1.054 17968 3798 1 12 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.304 0.126 17968 3799 1 12 . 1 1 38 38 GLN H H 36 8.630 8.630 8.582 0.048 17968 3800 1 12 . 1 1 39 39 LEU N N 37 131.410 131.410 128.063 3.347 17968 3801 1 12 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.147 -0.047 17968 3802 1 12 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.856 1.374 17968 3803 1 12 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.550 -0.419 17968 3804 1 12 . 1 1 39 39 LEU H H 37 8.830 8.830 8.100 0.730 17968 3805 1 12 . 1 1 40 40 LEU N N 38 126.410 126.410 124.112 2.298 17968 3806 1 12 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.488 -0.198 17968 3807 1 12 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.240 0.090 17968 3808 1 12 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.928 -0.998 17968 3809 1 12 . 1 1 40 40 LEU H H 38 9.780 9.780 8.111 1.669 17968 3810 1 12 . 1 1 41 41 ARG N N 39 126.610 126.610 121.689 4.921 17968 3811 1 12 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.655 -0.205 17968 3812 1 12 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.939 -2.009 17968 3813 1 12 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.940 -2.910 17968 3814 1 12 . 1 1 41 41 ARG H H 39 8.880 8.880 8.788 0.092 17968 3815 1 12 . 1 1 42 42 ARG N N 40 116.410 116.410 118.262 -1.852 17968 3816 1 12 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.131 -0.131 17968 3817 1 12 . 1 1 42 42 ARG CA C 40 58.530 58.530 58.619 -0.089 17968 3818 1 12 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.146 3.684 17968 3819 1 12 . 1 1 42 42 ARG H H 40 8.590 8.590 8.449 0.141 17968 3820 1 12 . 1 1 43 43 GLU N N 41 117.710 117.710 118.872 -1.162 17968 3821 1 12 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.146 0.114 17968 3822 1 12 . 1 1 43 43 GLU CA C 41 58.930 58.930 59.498 -0.568 17968 3823 1 12 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.780 1.750 17968 3824 1 12 . 1 1 43 43 GLU H H 41 6.800 6.800 8.446 -1.646 17968 3825 1 12 . 1 1 44 44 VAL N N 42 124.710 124.710 119.735 4.975 17968 3826 1 12 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.630 -0.450 17968 3827 1 12 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.233 1.297 17968 3828 1 12 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.487 -0.157 17968 3829 1 12 . 1 1 44 44 VAL H H 42 7.760 7.760 7.941 -0.181 17968 3830 1 12 . 1 1 45 45 TYR N N 43 118.310 118.310 118.710 -0.400 17968 3831 1 12 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.272 -0.082 17968 3832 1 12 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.433 0.697 17968 3833 1 12 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.206 1.524 17968 3834 1 12 . 1 1 45 45 TYR H H 43 7.600 7.600 7.404 0.196 17968 3835 1 12 . 1 1 46 46 ASP N N 44 120.910 120.910 120.348 0.562 17968 3836 1 12 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.382 0.328 17968 3837 1 12 . 1 1 46 46 ASP CA C 44 58.030 58.030 58.130 -0.100 17968 3838 1 12 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.780 0.050 17968 3839 1 12 . 1 1 46 46 ASP H H 44 8.660 8.660 8.324 0.336 17968 3840 1 12 . 1 1 47 47 PHE N N 45 125.310 125.310 120.605 4.705 17968 3841 1 12 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.243 -0.313 17968 3842 1 12 . 1 1 47 47 PHE CA C 45 62.630 62.630 60.867 1.763 17968 3843 1 12 . 1 1 47 47 PHE CB C 45 39.030 39.030 38.973 0.057 17968 3844 1 12 . 1 1 47 47 PHE H H 45 8.250 8.250 7.915 0.335 17968 3845 1 12 . 1 1 48 48 ALA N N 46 119.710 119.710 122.316 -2.606 17968 3846 1 12 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.212 0.288 17968 3847 1 12 . 1 1 48 48 ALA CA C 46 54.130 54.130 54.088 0.042 17968 3848 1 12 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.441 0.289 17968 3849 1 12 . 1 1 48 48 ALA H H 46 7.790 7.790 7.611 0.179 17968 3850 1 12 . 1 1 49 49 PHE N N 47 123.210 123.210 116.949 6.261 17968 3851 1 12 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.390 0.160 17968 3852 1 12 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.113 0.417 17968 3853 1 12 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.505 -0.475 17968 3854 1 12 . 1 1 49 49 PHE H H 47 9.040 9.040 7.818 1.222 17968 3855 1 12 . 1 1 50 50 ARG N N 48 119.810 119.810 118.863 0.947 17968 3856 1 12 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.553 -0.503 17968 3857 1 12 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.824 2.306 17968 3858 1 12 . 1 1 50 50 ARG CB C 48 31.030 31.030 32.301 -1.271 17968 3859 1 12 . 1 1 50 50 ARG H H 48 8.100 8.100 7.323 0.777 17968 3860 1 12 . 1 1 51 51 ASP N N 49 120.910 120.910 119.827 1.083 17968 3861 1 12 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.431 0.019 17968 3862 1 12 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.563 -0.033 17968 3863 1 12 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.599 -0.669 17968 3864 1 12 . 1 1 51 51 ASP H H 49 8.010 8.010 8.491 -0.481 17968 3865 1 12 . 1 1 52 52 LEU N N 50 118.510 118.510 121.740 -3.230 17968 3866 1 12 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.055 0.115 17968 3867 1 12 . 1 1 52 52 LEU CA C 50 54.230 54.230 55.189 -0.959 17968 3868 1 12 . 1 1 52 52 LEU CB C 50 41.230 41.230 42.044 -0.814 17968 3869 1 12 . 1 1 52 52 LEU H H 50 6.720 6.720 7.444 -0.724 17968 3870 1 12 . 1 1 53 53 CYS N N 51 117.410 117.410 121.371 -3.961 17968 3871 1 12 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.369 0.541 17968 3872 1 12 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.164 1.566 17968 3873 1 12 . 1 1 53 53 CYS CB C 51 28.730 28.730 29.025 -0.295 17968 3874 1 12 . 1 1 53 53 CYS H H 51 8.030 8.030 7.849 0.181 17968 3875 1 12 . 1 1 54 54 ILE N N 52 125.110 125.110 120.555 4.555 17968 3876 1 12 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.323 -0.333 17968 3877 1 12 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.325 -1.395 17968 3878 1 12 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.537 -0.807 17968 3879 1 12 . 1 1 54 54 ILE H H 52 8.450 8.450 8.351 0.099 17968 3880 1 12 . 1 1 55 55 VAL N N 53 127.010 127.010 121.313 5.697 17968 3881 1 12 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.554 -0.204 17968 3882 1 12 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.163 -0.532 17968 3883 1 12 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.297 1.933 17968 3884 1 12 . 1 1 55 55 VAL H H 53 8.120 8.120 8.166 -0.046 17968 3885 1 12 . 1 1 56 56 TYR N N 54 125.010 125.010 127.773 -2.763 17968 3886 1 12 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.039 0.341 17968 3887 1 12 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.745 -0.315 17968 3888 1 12 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.123 1.907 17968 3889 1 12 . 1 1 56 56 TYR H H 54 8.710 8.710 8.756 -0.046 17968 3890 1 12 . 1 1 57 57 ARG N N 55 123.810 123.810 126.020 -2.210 17968 3891 1 12 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.418 0.212 17968 3892 1 12 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.145 0.185 17968 3893 1 12 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.090 2.740 17968 3894 1 12 . 1 1 57 57 ARG H H 55 8.860 8.860 8.215 0.645 17968 3895 1 12 . 1 1 58 58 ASP N N 56 129.110 129.110 125.117 3.993 17968 3896 1 12 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.316 -0.016 17968 3897 1 12 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.497 -0.767 17968 3898 1 12 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.381 -0.251 17968 3899 1 12 . 1 1 58 58 ASP H H 56 9.630 9.630 8.882 0.748 17968 3900 1 12 . 1 1 59 59 GLY N N 57 104.510 104.510 105.547 -1.037 17968 3901 1 12 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.536 0.094 17968 3902 1 12 . 1 1 59 59 GLY H H 57 8.710 8.710 8.412 0.298 17968 3903 1 12 . 1 1 60 60 ASN N N 58 122.110 122.110 119.425 2.685 17968 3904 1 12 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.212 0.168 17968 3905 1 12 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.453 -0.123 17968 3906 1 12 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.850 -1.420 17968 3907 1 12 . 1 1 60 60 ASN H H 58 8.130 8.130 7.998 0.132 17968 3908 1 12 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.773 -0.003 17968 3909 1 12 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.672 -0.642 17968 3910 1 12 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.814 2.616 17968 3911 1 12 . 1 1 62 62 TYR N N 60 119.910 119.910 124.435 -4.525 17968 3912 1 12 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.659 -0.309 17968 3913 1 12 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.541 1.589 17968 3914 1 12 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.349 1.081 17968 3915 1 12 . 1 1 62 62 TYR H H 60 8.580 8.580 7.898 0.682 17968 3916 1 12 . 1 1 63 63 ALA N N 61 123.710 123.710 119.417 4.293 17968 3917 1 12 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.689 -0.309 17968 3918 1 12 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.187 0.143 17968 3919 1 12 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.618 -1.388 17968 3920 1 12 . 1 1 63 63 ALA H H 61 7.980 7.980 9.026 -1.046 17968 3921 1 12 . 1 1 64 64 VAL N N 62 120.610 120.610 117.946 2.664 17968 3922 1 12 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.287 1.193 17968 3923 1 12 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.631 0.699 17968 3924 1 12 . 1 1 64 64 VAL CB C 62 36.230 36.230 34.299 1.931 17968 3925 1 12 . 1 1 64 64 VAL H H 62 6.330 6.330 7.496 -1.166 17968 3926 1 12 . 1 1 65 65 CYS N N 63 130.310 130.310 124.228 6.082 17968 3927 1 12 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.530 0.030 17968 3928 1 12 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.962 0.468 17968 3929 1 12 . 1 1 65 65 CYS CB C 63 31.030 31.030 28.051 2.979 17968 3930 1 12 . 1 1 65 65 CYS H H 63 9.420 9.420 8.426 0.994 17968 3931 1 12 . 1 1 66 66 ASP N N 64 121.110 121.110 121.110 0.000 17968 3932 1 12 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.293 0.117 17968 3933 1 12 . 1 1 66 66 ASP CA C 64 58.430 58.430 58.128 0.302 17968 3934 1 12 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.734 1.796 17968 3935 1 12 . 1 1 66 66 ASP H H 64 9.040 9.040 8.810 0.230 17968 3936 1 12 . 1 1 67 67 LYS N N 65 121.910 121.910 119.336 2.574 17968 3937 1 12 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.127 -0.137 17968 3938 1 12 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.072 1.058 17968 3939 1 12 . 1 1 67 67 LYS CB C 65 32.830 32.830 31.887 0.943 17968 3940 1 12 . 1 1 67 67 LYS H H 65 8.330 8.330 8.430 -0.100 17968 3941 1 12 . 1 1 68 68 CYS N N 66 125.510 125.510 117.714 7.796 17968 3942 1 12 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.700 -0.590 17968 3943 1 12 . 1 1 68 68 CYS CA C 66 63.730 63.730 60.872 2.858 17968 3944 1 12 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.881 4.749 17968 3945 1 12 . 1 1 68 68 CYS H H 66 8.690 8.690 7.818 0.872 17968 3946 1 12 . 1 1 69 69 LEU N N 67 125.110 125.110 123.426 1.684 17968 3947 1 12 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.226 -0.196 17968 3948 1 12 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.249 0.381 17968 3949 1 12 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.124 0.106 17968 3950 1 12 . 1 1 69 69 LEU H H 67 8.460 8.460 8.619 -0.159 17968 3951 1 12 . 1 1 70 70 LYS N N 68 119.210 119.210 117.884 1.326 17968 3952 1 12 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.171 -0.191 17968 3953 1 12 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.418 0.612 17968 3954 1 12 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.341 -0.111 17968 3955 1 12 . 1 1 70 70 LYS H H 68 7.830 7.830 7.830 -0.000 17968 3956 1 12 . 1 1 71 71 PHE N N 69 121.710 121.710 118.266 3.444 17968 3957 1 12 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.286 -0.016 17968 3958 1 12 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.939 0.191 17968 3959 1 12 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.252 0.178 17968 3960 1 12 . 1 1 71 71 PHE H H 69 7.810 7.810 7.526 0.284 17968 3961 1 13 . 1 1 4 4 PHE N N 2 122.310 122.310 123.567 -1.257 17968 3962 1 13 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.961 -0.341 17968 3963 1 13 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.089 -0.759 17968 3964 1 13 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.193 -1.763 17968 3965 1 13 . 1 1 4 4 PHE H H 2 8.370 8.370 9.215 -0.845 17968 3966 1 13 . 1 1 5 5 GLN N N 3 123.510 123.510 122.855 0.655 17968 3967 1 13 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.501 -0.311 17968 3968 1 13 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.706 2.324 17968 3969 1 13 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.069 -0.139 17968 3970 1 13 . 1 1 5 5 GLN H H 3 8.250 8.250 7.857 0.393 17968 3971 1 13 . 1 1 6 6 ASP N N 4 125.010 125.010 119.984 5.026 17968 3972 1 13 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.436 0.404 17968 3973 1 13 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.927 -1.897 17968 3974 1 13 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.169 0.561 17968 3975 1 13 . 1 1 6 6 ASP H H 4 8.410 8.410 8.337 0.073 17968 3976 1 13 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.392 -0.272 17968 3977 1 13 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.106 1.024 17968 3978 1 13 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.269 0.062 17968 3979 1 13 . 1 1 8 8 GLN N N 6 119.710 119.710 119.800 -0.090 17968 3980 1 13 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.107 0.043 17968 3981 1 13 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.110 0.520 17968 3982 1 13 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.489 1.841 17968 3983 1 13 . 1 1 8 8 GLN H H 6 8.430 8.430 7.492 0.938 17968 3984 1 13 . 1 1 9 9 GLU N N 7 122.110 122.110 125.017 -2.907 17968 3985 1 13 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.180 0.000 17968 3986 1 13 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.329 -0.199 17968 3987 1 13 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.172 0.358 17968 3988 1 13 . 1 1 9 9 GLU H H 7 7.940 7.940 8.647 -0.707 17968 3989 1 13 . 1 1 10 10 ARG N N 8 123.410 123.410 116.445 6.965 17968 3990 1 13 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.203 0.207 17968 3991 1 13 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.776 -1.646 17968 3992 1 13 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.183 2.147 17968 3993 1 13 . 1 1 10 10 ARG H H 8 7.670 7.670 8.260 -0.590 17968 3994 1 13 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.668 -0.328 17968 3995 1 13 . 1 1 11 11 PRO CA C 9 63.530 63.530 61.884 1.646 17968 3996 1 13 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.742 -0.112 17968 3997 1 13 . 1 1 12 12 ARG N N 10 123.810 123.810 120.429 3.381 17968 3998 1 13 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.626 0.034 17968 3999 1 13 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.449 0.381 17968 4000 1 13 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.670 1.860 17968 4001 1 13 . 1 1 12 12 ARG H H 10 8.700 8.700 8.820 -0.120 17968 4002 1 13 . 1 1 13 13 LYS N N 11 118.310 118.310 119.703 -1.393 17968 4003 1 13 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.686 0.364 17968 4004 1 13 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.838 -0.608 17968 4005 1 13 . 1 1 13 13 LYS CB C 11 35.630 35.630 33.833 1.797 17968 4006 1 13 . 1 1 13 13 LYS H H 11 7.810 7.810 7.707 0.103 17968 4007 1 13 . 1 1 14 14 LEU N N 12 124.810 124.810 128.381 -3.571 17968 4008 1 13 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.311 -0.161 17968 4009 1 13 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.440 0.190 17968 4010 1 13 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.784 0.746 17968 4011 1 13 . 1 1 14 14 LEU H H 12 10.210 10.210 9.238 0.972 17968 4012 1 13 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.163 0.007 17968 4013 1 13 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.782 1.548 17968 4014 1 13 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.979 -0.449 17968 4015 1 13 . 1 1 16 16 GLN N N 14 117.710 117.710 117.023 0.687 17968 4016 1 13 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.240 -0.080 17968 4017 1 13 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.803 1.327 17968 4018 1 13 . 1 1 16 16 GLN CB C 14 28.630 28.630 29.017 -0.387 17968 4019 1 13 . 1 1 16 16 GLN H H 14 7.100 7.100 7.620 -0.520 17968 4020 1 13 . 1 1 17 17 LEU N N 15 124.610 124.610 122.958 1.652 17968 4021 1 13 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.200 -0.200 17968 4022 1 13 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.032 0.598 17968 4023 1 13 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.733 0.297 17968 4024 1 13 . 1 1 17 17 LEU H H 15 8.020 8.020 8.193 -0.173 17968 4025 1 13 . 1 1 18 18 CYS N N 16 117.210 117.210 115.964 1.246 17968 4026 1 13 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.124 -0.394 17968 4027 1 13 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.849 0.981 17968 4028 1 13 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.162 0.068 17968 4029 1 13 . 1 1 18 18 CYS H H 16 8.410 8.410 8.256 0.154 17968 4030 1 13 . 1 1 19 19 THR N N 17 117.710 117.710 115.814 1.896 17968 4031 1 13 . 1 1 19 19 THR HA H 17 3.990 3.990 4.130 -0.140 17968 4032 1 13 . 1 1 19 19 THR CA C 17 66.830 66.830 66.962 -0.132 17968 4033 1 13 . 1 1 19 19 THR CB C 17 68.830 68.830 68.559 0.271 17968 4034 1 13 . 1 1 19 19 THR H H 17 7.670 7.670 7.559 0.111 17968 4035 1 13 . 1 1 20 20 GLU N N 18 125.410 125.410 120.850 4.560 17968 4036 1 13 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.183 -0.123 17968 4037 1 13 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.194 0.636 17968 4038 1 13 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.654 -0.024 17968 4039 1 13 . 1 1 20 20 GLU H H 18 7.980 7.980 7.615 0.365 17968 4040 1 13 . 1 1 21 21 LEU N N 19 118.810 118.810 118.637 0.173 17968 4041 1 13 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.428 -0.138 17968 4042 1 13 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.841 -0.911 17968 4043 1 13 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.928 -0.698 17968 4044 1 13 . 1 1 21 21 LEU H H 19 7.990 7.990 8.125 -0.135 17968 4045 1 13 . 1 1 22 22 GLN N N 20 118.310 118.310 117.232 1.078 17968 4046 1 13 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.003 -0.063 17968 4047 1 13 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.263 -0.633 17968 4048 1 13 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.224 -0.094 17968 4049 1 13 . 1 1 22 22 GLN H H 20 7.850 7.850 7.673 0.177 17968 4050 1 13 . 1 1 23 23 THR N N 21 115.810 115.810 113.208 2.602 17968 4051 1 13 . 1 1 23 23 THR HA H 21 4.920 4.920 4.779 0.141 17968 4052 1 13 . 1 1 23 23 THR CA C 21 58.730 58.730 61.201 -2.471 17968 4053 1 13 . 1 1 23 23 THR CB C 21 70.330 70.330 70.505 -0.175 17968 4054 1 13 . 1 1 23 23 THR H H 21 8.210 8.210 8.615 -0.405 17968 4055 1 13 . 1 1 24 24 THR N N 22 112.810 112.810 112.073 0.737 17968 4056 1 13 . 1 1 24 24 THR HA H 22 4.860 4.860 4.942 -0.082 17968 4057 1 13 . 1 1 24 24 THR CA C 22 59.830 59.830 59.614 0.216 17968 4058 1 13 . 1 1 24 24 THR CB C 22 74.030 74.030 71.220 2.810 17968 4059 1 13 . 1 1 24 24 THR H H 22 8.620 8.620 8.075 0.545 17968 4060 1 13 . 1 1 25 25 ILE N N 23 124.310 124.310 116.611 7.699 17968 4061 1 13 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.993 -0.333 17968 4062 1 13 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.444 0.286 17968 4063 1 13 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.382 0.848 17968 4064 1 13 . 1 1 25 25 ILE H H 23 9.020 9.020 8.643 0.377 17968 4065 1 13 . 1 1 26 26 HIS N N 24 119.210 119.210 115.101 4.109 17968 4066 1 13 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.830 -0.450 17968 4067 1 13 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.451 -0.021 17968 4068 1 13 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.448 0.282 17968 4069 1 13 . 1 1 26 26 HIS H H 24 6.870 6.870 7.595 -0.725 17968 4070 1 13 . 1 1 27 27 ASP N N 25 116.510 116.510 118.355 -1.845 17968 4071 1 13 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.678 0.072 17968 4072 1 13 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.607 -0.177 17968 4073 1 13 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.349 0.981 17968 4074 1 13 . 1 1 27 27 ASP H H 25 7.220 7.220 7.596 -0.376 17968 4075 1 13 . 1 1 28 28 ILE N N 26 123.310 123.310 122.892 0.418 17968 4076 1 13 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.966 -0.066 17968 4077 1 13 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.364 0.766 17968 4078 1 13 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.540 -0.610 17968 4079 1 13 . 1 1 28 28 ILE H H 26 7.690 7.690 7.588 0.102 17968 4080 1 13 . 1 1 29 29 ILE N N 27 130.910 130.910 129.321 1.589 17968 4081 1 13 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.181 0.179 17968 4082 1 13 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.449 -0.619 17968 4083 1 13 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.850 -0.120 17968 4084 1 13 . 1 1 29 29 ILE H H 27 8.230 8.230 8.207 0.023 17968 4085 1 13 . 1 1 30 30 LEU N N 28 129.310 129.310 128.828 0.482 17968 4086 1 13 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.448 0.202 17968 4087 1 13 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.595 -1.065 17968 4088 1 13 . 1 1 30 30 LEU CB C 28 48.330 48.330 44.737 3.593 17968 4089 1 13 . 1 1 30 30 LEU H H 28 8.450 8.450 8.549 -0.099 17968 4090 1 13 . 1 1 31 31 GLU N N 29 121.810 121.810 118.022 3.788 17968 4091 1 13 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.014 -0.354 17968 4092 1 13 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.402 0.328 17968 4093 1 13 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.306 0.624 17968 4094 1 13 . 1 1 31 31 GLU H H 29 8.820 8.820 8.278 0.542 17968 4095 1 13 . 1 1 32 32 CYS N N 30 125.510 125.510 122.060 3.450 17968 4096 1 13 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.915 -0.885 17968 4097 1 13 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.397 -1.167 17968 4098 1 13 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.121 3.709 17968 4099 1 13 . 1 1 32 32 CYS H H 30 8.240 8.240 8.750 -0.510 17968 4100 1 13 . 1 1 33 33 VAL N N 31 132.310 132.310 126.634 5.676 17968 4101 1 13 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.433 -0.353 17968 4102 1 13 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.790 -0.460 17968 4103 1 13 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.916 -0.286 17968 4104 1 13 . 1 1 33 33 VAL H H 31 8.880 8.880 8.162 0.718 17968 4105 1 13 . 1 1 34 34 TYR N N 32 124.210 124.210 114.802 9.408 17968 4106 1 13 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.548 -0.098 17968 4107 1 13 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.709 1.321 17968 4108 1 13 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.130 0.900 17968 4109 1 13 . 1 1 34 34 TYR H H 32 8.620 8.620 7.340 1.280 17968 4110 1 13 . 1 1 35 35 CYS N N 33 119.810 119.810 115.796 4.014 17968 4111 1 13 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.416 0.384 17968 4112 1 13 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.239 0.091 17968 4113 1 13 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.359 4.871 17968 4114 1 13 . 1 1 35 35 CYS H H 33 8.090 8.090 7.728 0.362 17968 4115 1 13 . 1 1 36 36 LYS N N 34 119.810 119.810 115.675 4.135 17968 4116 1 13 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.257 -0.097 17968 4117 1 13 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.310 0.520 17968 4118 1 13 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.760 -1.530 17968 4119 1 13 . 1 1 36 36 LYS H H 34 7.870 7.870 7.674 0.196 17968 4120 1 13 . 1 1 37 37 GLN N N 35 120.610 120.610 116.450 4.160 17968 4121 1 13 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.436 -0.066 17968 4122 1 13 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.553 0.877 17968 4123 1 13 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.870 -0.140 17968 4124 1 13 . 1 1 37 37 GLN H H 35 8.250 8.250 7.948 0.302 17968 4125 1 13 . 1 1 38 38 GLN N N 36 123.610 123.610 121.510 2.100 17968 4126 1 13 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.367 -0.007 17968 4127 1 13 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.204 0.626 17968 4128 1 13 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.039 0.391 17968 4129 1 13 . 1 1 38 38 GLN H H 36 8.630 8.630 8.493 0.137 17968 4130 1 13 . 1 1 39 39 LEU N N 37 131.410 131.410 127.101 4.309 17968 4131 1 13 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.208 -0.108 17968 4132 1 13 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.947 2.283 17968 4133 1 13 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.500 -0.370 17968 4134 1 13 . 1 1 39 39 LEU H H 37 8.830 8.830 8.381 0.449 17968 4135 1 13 . 1 1 40 40 LEU N N 38 126.410 126.410 122.816 3.594 17968 4136 1 13 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.373 -0.083 17968 4137 1 13 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.234 0.096 17968 4138 1 13 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.602 0.328 17968 4139 1 13 . 1 1 40 40 LEU H H 38 9.780 9.780 8.103 1.677 17968 4140 1 13 . 1 1 41 41 ARG N N 39 126.610 126.610 122.107 4.503 17968 4141 1 13 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.726 -0.276 17968 4142 1 13 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.677 -1.747 17968 4143 1 13 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.997 -2.967 17968 4144 1 13 . 1 1 41 41 ARG H H 39 8.880 8.880 8.722 0.158 17968 4145 1 13 . 1 1 42 42 ARG N N 40 116.410 116.410 117.689 -1.279 17968 4146 1 13 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.185 -0.185 17968 4147 1 13 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.301 -0.771 17968 4148 1 13 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.837 2.993 17968 4149 1 13 . 1 1 42 42 ARG H H 40 8.590 8.590 8.586 0.004 17968 4150 1 13 . 1 1 43 43 GLU N N 41 117.710 117.710 118.795 -1.085 17968 4151 1 13 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.168 0.092 17968 4152 1 13 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.663 0.267 17968 4153 1 13 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.196 1.334 17968 4154 1 13 . 1 1 43 43 GLU H H 41 6.800 6.800 7.717 -0.917 17968 4155 1 13 . 1 1 44 44 VAL N N 42 124.710 124.710 120.345 4.365 17968 4156 1 13 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.520 -0.340 17968 4157 1 13 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.509 1.021 17968 4158 1 13 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.269 0.061 17968 4159 1 13 . 1 1 44 44 VAL H H 42 7.760 7.760 7.761 -0.001 17968 4160 1 13 . 1 1 45 45 TYR N N 43 118.310 118.310 117.706 0.604 17968 4161 1 13 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.228 -0.038 17968 4162 1 13 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.855 -0.725 17968 4163 1 13 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.326 1.404 17968 4164 1 13 . 1 1 45 45 TYR H H 43 7.600 7.600 7.312 0.288 17968 4165 1 13 . 1 1 46 46 ASP N N 44 120.910 120.910 120.806 0.104 17968 4166 1 13 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.448 0.262 17968 4167 1 13 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.079 0.951 17968 4168 1 13 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.675 0.155 17968 4169 1 13 . 1 1 46 46 ASP H H 44 8.660 8.660 7.690 0.970 17968 4170 1 13 . 1 1 47 47 PHE N N 45 125.310 125.310 120.537 4.773 17968 4171 1 13 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.205 -0.275 17968 4172 1 13 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.367 1.263 17968 4173 1 13 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.293 -0.263 17968 4174 1 13 . 1 1 47 47 PHE H H 45 8.250 8.250 8.395 -0.145 17968 4175 1 13 . 1 1 48 48 ALA N N 46 119.710 119.710 121.417 -1.707 17968 4176 1 13 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.168 0.332 17968 4177 1 13 . 1 1 48 48 ALA CA C 46 54.130 54.130 54.015 0.115 17968 4178 1 13 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.669 0.061 17968 4179 1 13 . 1 1 48 48 ALA H H 46 7.790 7.790 7.590 0.200 17968 4180 1 13 . 1 1 49 49 PHE N N 47 123.210 123.210 118.619 4.591 17968 4181 1 13 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.299 0.251 17968 4182 1 13 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.890 -0.360 17968 4183 1 13 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.777 -0.747 17968 4184 1 13 . 1 1 49 49 PHE H H 47 9.040 9.040 8.044 0.996 17968 4185 1 13 . 1 1 50 50 ARG N N 48 119.810 119.810 118.539 1.271 17968 4186 1 13 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.459 -0.409 17968 4187 1 13 . 1 1 50 50 ARG CA C 48 57.130 57.130 55.036 2.094 17968 4188 1 13 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.136 -0.106 17968 4189 1 13 . 1 1 50 50 ARG H H 48 8.100 8.100 7.683 0.417 17968 4190 1 13 . 1 1 51 51 ASP N N 49 120.910 120.910 121.852 -0.942 17968 4191 1 13 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.530 -0.080 17968 4192 1 13 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.114 0.416 17968 4193 1 13 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.111 -0.181 17968 4194 1 13 . 1 1 51 51 ASP H H 49 8.010 8.010 8.580 -0.570 17968 4195 1 13 . 1 1 52 52 LEU N N 50 118.510 118.510 122.436 -3.926 17968 4196 1 13 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.534 -0.364 17968 4197 1 13 . 1 1 52 52 LEU CA C 50 54.230 54.230 54.427 -0.197 17968 4198 1 13 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.527 -4.297 17968 4199 1 13 . 1 1 52 52 LEU H H 50 6.720 6.720 7.657 -0.937 17968 4200 1 13 . 1 1 53 53 CYS N N 51 117.410 117.410 118.047 -0.637 17968 4201 1 13 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.406 -0.496 17968 4202 1 13 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.379 1.351 17968 4203 1 13 . 1 1 53 53 CYS CB C 51 28.730 28.730 31.494 -2.764 17968 4204 1 13 . 1 1 53 53 CYS H H 51 8.030 8.030 8.367 -0.337 17968 4205 1 13 . 1 1 54 54 ILE N N 52 125.110 125.110 123.814 1.296 17968 4206 1 13 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.285 -0.295 17968 4207 1 13 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.562 -1.632 17968 4208 1 13 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.719 -0.989 17968 4209 1 13 . 1 1 54 54 ILE H H 52 8.450 8.450 8.734 -0.284 17968 4210 1 13 . 1 1 55 55 VAL N N 53 127.010 127.010 121.099 5.911 17968 4211 1 13 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.531 -0.181 17968 4212 1 13 . 1 1 55 55 VAL CA C 53 60.630 60.630 60.325 0.305 17968 4213 1 13 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.991 1.239 17968 4214 1 13 . 1 1 55 55 VAL H H 53 8.120 8.120 7.924 0.196 17968 4215 1 13 . 1 1 56 56 TYR N N 54 125.010 125.010 126.305 -1.295 17968 4216 1 13 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.099 0.281 17968 4217 1 13 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.446 -0.016 17968 4218 1 13 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.077 1.953 17968 4219 1 13 . 1 1 56 56 TYR H H 54 8.710 8.710 8.739 -0.029 17968 4220 1 13 . 1 1 57 57 ARG N N 55 123.810 123.810 125.803 -1.993 17968 4221 1 13 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.164 0.466 17968 4222 1 13 . 1 1 57 57 ARG CA C 55 55.330 55.330 56.117 -0.787 17968 4223 1 13 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.802 3.028 17968 4224 1 13 . 1 1 57 57 ARG H H 55 8.860 8.860 8.521 0.339 17968 4225 1 13 . 1 1 58 58 ASP N N 56 129.110 129.110 125.677 3.433 17968 4226 1 13 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.295 0.005 17968 4227 1 13 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.302 -0.572 17968 4228 1 13 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.329 -0.199 17968 4229 1 13 . 1 1 58 58 ASP H H 56 9.630 9.630 8.778 0.852 17968 4230 1 13 . 1 1 59 59 GLY N N 57 104.510 104.510 105.989 -1.479 17968 4231 1 13 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.690 -0.059 17968 4232 1 13 . 1 1 59 59 GLY H H 57 8.710 8.710 8.382 0.328 17968 4233 1 13 . 1 1 60 60 ASN N N 58 122.110 122.110 118.092 4.018 17968 4234 1 13 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.427 -0.047 17968 4235 1 13 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.597 -0.267 17968 4236 1 13 . 1 1 60 60 ASN CB C 58 40.430 40.430 42.326 -1.896 17968 4237 1 13 . 1 1 60 60 ASN H H 58 8.130 8.130 7.864 0.266 17968 4238 1 13 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.760 0.010 17968 4239 1 13 . 1 1 61 61 PRO CA C 59 62.030 62.030 63.017 -0.987 17968 4240 1 13 . 1 1 61 61 PRO CB C 59 33.430 33.430 30.841 2.589 17968 4241 1 13 . 1 1 62 62 TYR N N 60 119.910 119.910 124.444 -4.534 17968 4242 1 13 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.877 -0.527 17968 4243 1 13 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.728 1.401 17968 4244 1 13 . 1 1 62 62 TYR CB C 60 43.430 43.430 41.989 1.441 17968 4245 1 13 . 1 1 62 62 TYR H H 60 8.580 8.580 7.398 1.182 17968 4246 1 13 . 1 1 63 63 ALA N N 61 123.710 123.710 122.997 0.713 17968 4247 1 13 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.437 -0.057 17968 4248 1 13 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.641 -0.311 17968 4249 1 13 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.211 -0.981 17968 4250 1 13 . 1 1 63 63 ALA H H 61 7.980 7.980 8.928 -0.948 17968 4251 1 13 . 1 1 64 64 VAL N N 62 120.610 120.610 117.926 2.684 17968 4252 1 13 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.259 1.221 17968 4253 1 13 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.065 0.265 17968 4254 1 13 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.107 3.123 17968 4255 1 13 . 1 1 64 64 VAL H H 62 6.330 6.330 8.039 -1.709 17968 4256 1 13 . 1 1 65 65 CYS N N 63 130.310 130.310 123.898 6.412 17968 4257 1 13 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.632 -0.072 17968 4258 1 13 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.147 1.283 17968 4259 1 13 . 1 1 65 65 CYS CB C 63 31.030 31.030 30.072 0.958 17968 4260 1 13 . 1 1 65 65 CYS H H 63 9.420 9.420 8.734 0.686 17968 4261 1 13 . 1 1 66 66 ASP N N 64 121.110 121.110 119.349 1.761 17968 4262 1 13 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.361 0.049 17968 4263 1 13 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.217 1.213 17968 4264 1 13 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.563 1.967 17968 4265 1 13 . 1 1 66 66 ASP H H 64 9.040 9.040 9.007 0.033 17968 4266 1 13 . 1 1 67 67 LYS N N 65 121.910 121.910 120.372 1.538 17968 4267 1 13 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.325 -0.335 17968 4268 1 13 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.086 1.044 17968 4269 1 13 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.617 0.213 17968 4270 1 13 . 1 1 67 67 LYS H H 65 8.330 8.330 8.250 0.080 17968 4271 1 13 . 1 1 68 68 CYS N N 66 125.510 125.510 119.327 6.183 17968 4272 1 13 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.634 -0.524 17968 4273 1 13 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.696 2.034 17968 4274 1 13 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.816 4.814 17968 4275 1 13 . 1 1 68 68 CYS H H 66 8.690 8.690 7.842 0.848 17968 4276 1 13 . 1 1 69 69 LEU N N 67 125.110 125.110 122.091 3.019 17968 4277 1 13 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.199 -0.169 17968 4278 1 13 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.284 0.346 17968 4279 1 13 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.277 -0.047 17968 4280 1 13 . 1 1 69 69 LEU H H 67 8.460 8.460 8.364 0.096 17968 4281 1 13 . 1 1 70 70 LYS N N 68 119.210 119.210 117.556 1.654 17968 4282 1 13 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.181 -0.201 17968 4283 1 13 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.828 1.202 17968 4284 1 13 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.486 -0.256 17968 4285 1 13 . 1 1 70 70 LYS H H 68 7.830 7.830 7.967 -0.137 17968 4286 1 13 . 1 1 71 71 PHE N N 69 121.710 121.710 118.958 2.752 17968 4287 1 13 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.326 -0.056 17968 4288 1 13 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.803 -0.673 17968 4289 1 13 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.859 -0.429 17968 4290 1 13 . 1 1 71 71 PHE H H 69 7.810 7.810 7.932 -0.122 17968 4291 1 14 . 1 1 4 4 PHE N N 2 122.310 122.310 120.221 2.089 17968 4292 1 14 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.961 -0.341 17968 4293 1 14 . 1 1 4 4 PHE CA C 2 57.330 57.330 56.981 0.349 17968 4294 1 14 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.462 -2.032 17968 4295 1 14 . 1 1 4 4 PHE H H 2 8.370 8.370 8.253 0.117 17968 4296 1 14 . 1 1 5 5 GLN N N 3 123.510 123.510 121.145 2.365 17968 4297 1 14 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.463 -0.273 17968 4298 1 14 . 1 1 5 5 GLN CA C 3 56.030 56.030 55.433 0.597 17968 4299 1 14 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.506 -0.576 17968 4300 1 14 . 1 1 5 5 GLN H H 3 8.250 8.250 9.565 -1.315 17968 4301 1 14 . 1 1 6 6 ASP N N 4 125.010 125.010 119.093 5.917 17968 4302 1 14 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.736 0.104 17968 4303 1 14 . 1 1 6 6 ASP CA C 4 52.030 52.030 51.752 0.278 17968 4304 1 14 . 1 1 6 6 ASP CB C 4 41.730 41.730 42.321 -0.591 17968 4305 1 14 . 1 1 6 6 ASP H H 4 8.410 8.410 8.302 0.108 17968 4306 1 14 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.495 -0.375 17968 4307 1 14 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.693 0.437 17968 4308 1 14 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.388 -0.057 17968 4309 1 14 . 1 1 8 8 GLN N N 6 119.710 119.710 119.117 0.593 17968 4310 1 14 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.306 -0.156 17968 4311 1 14 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.438 1.192 17968 4312 1 14 . 1 1 8 8 GLN CB C 6 29.330 29.330 26.894 2.436 17968 4313 1 14 . 1 1 8 8 GLN H H 6 8.430 8.430 8.307 0.123 17968 4314 1 14 . 1 1 9 9 GLU N N 7 122.110 122.110 121.353 0.757 17968 4315 1 14 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.244 -0.064 17968 4316 1 14 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.699 -0.569 17968 4317 1 14 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.277 0.253 17968 4318 1 14 . 1 1 9 9 GLU H H 7 7.940 7.940 8.005 -0.065 17968 4319 1 14 . 1 1 10 10 ARG N N 8 123.410 123.410 117.858 5.552 17968 4320 1 14 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.359 0.051 17968 4321 1 14 . 1 1 10 10 ARG CA C 8 54.130 54.130 52.314 1.816 17968 4322 1 14 . 1 1 10 10 ARG CB C 8 29.330 29.330 29.279 0.051 17968 4323 1 14 . 1 1 10 10 ARG H H 8 7.670 7.670 7.431 0.239 17968 4324 1 14 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.721 -0.381 17968 4325 1 14 . 1 1 11 11 PRO CA C 9 63.530 63.530 61.987 1.543 17968 4326 1 14 . 1 1 11 11 PRO CB C 9 32.630 32.630 34.374 -1.744 17968 4327 1 14 . 1 1 12 12 ARG N N 10 123.810 123.810 118.378 5.432 17968 4328 1 14 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.668 -0.008 17968 4329 1 14 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.911 0.919 17968 4330 1 14 . 1 1 12 12 ARG CB C 10 32.530 32.530 31.078 1.452 17968 4331 1 14 . 1 1 12 12 ARG H H 10 8.700 8.700 8.481 0.219 17968 4332 1 14 . 1 1 13 13 LYS N N 11 118.310 118.310 119.117 -0.807 17968 4333 1 14 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.602 0.448 17968 4334 1 14 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.562 -1.331 17968 4335 1 14 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.324 1.306 17968 4336 1 14 . 1 1 13 13 LYS H H 11 7.810 7.810 7.836 -0.026 17968 4337 1 14 . 1 1 14 14 LEU N N 12 124.810 124.810 128.221 -3.411 17968 4338 1 14 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.204 -0.054 17968 4339 1 14 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.559 0.071 17968 4340 1 14 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.770 0.760 17968 4341 1 14 . 1 1 14 14 LEU H H 12 10.210 10.210 9.138 1.072 17968 4342 1 14 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.179 -0.009 17968 4343 1 14 . 1 1 15 15 PRO CA C 13 67.330 67.330 66.028 1.302 17968 4344 1 14 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.770 -0.240 17968 4345 1 14 . 1 1 16 16 GLN N N 14 117.710 117.710 117.275 0.435 17968 4346 1 14 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.114 0.046 17968 4347 1 14 . 1 1 16 16 GLN CA C 14 59.130 59.130 59.004 0.126 17968 4348 1 14 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.180 0.450 17968 4349 1 14 . 1 1 16 16 GLN H H 14 7.100 7.100 8.401 -1.301 17968 4350 1 14 . 1 1 17 17 LEU N N 15 124.610 124.610 121.951 2.659 17968 4351 1 14 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.025 -0.025 17968 4352 1 14 . 1 1 17 17 LEU CA C 15 58.630 58.630 58.165 0.465 17968 4353 1 14 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.834 0.196 17968 4354 1 14 . 1 1 17 17 LEU H H 15 8.020 8.020 8.305 -0.285 17968 4355 1 14 . 1 1 18 18 CYS N N 16 117.210 117.210 116.833 0.377 17968 4356 1 14 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.114 -0.384 17968 4357 1 14 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.821 1.009 17968 4358 1 14 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.344 -0.114 17968 4359 1 14 . 1 1 18 18 CYS H H 16 8.410 8.410 8.510 -0.100 17968 4360 1 14 . 1 1 19 19 THR N N 17 117.710 117.710 116.873 0.837 17968 4361 1 14 . 1 1 19 19 THR HA H 17 3.990 3.990 4.086 -0.096 17968 4362 1 14 . 1 1 19 19 THR CA C 17 66.830 66.830 66.619 0.211 17968 4363 1 14 . 1 1 19 19 THR CB C 17 68.830 68.830 68.594 0.236 17968 4364 1 14 . 1 1 19 19 THR H H 17 7.670 7.670 7.791 -0.121 17968 4365 1 14 . 1 1 20 20 GLU N N 18 125.410 125.410 120.725 4.685 17968 4366 1 14 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.301 -0.241 17968 4367 1 14 . 1 1 20 20 GLU CA C 18 59.830 59.830 57.820 2.010 17968 4368 1 14 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.601 0.029 17968 4369 1 14 . 1 1 20 20 GLU H H 18 7.980 7.980 8.101 -0.121 17968 4370 1 14 . 1 1 21 21 LEU N N 19 118.810 118.810 118.391 0.419 17968 4371 1 14 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.347 -0.057 17968 4372 1 14 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.873 0.057 17968 4373 1 14 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.700 -0.471 17968 4374 1 14 . 1 1 21 21 LEU H H 19 7.990 7.990 7.941 0.049 17968 4375 1 14 . 1 1 22 22 GLN N N 20 118.310 118.310 117.032 1.278 17968 4376 1 14 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.003 -0.063 17968 4377 1 14 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.040 -0.410 17968 4378 1 14 . 1 1 22 22 GLN CB C 20 26.130 26.130 27.061 -0.931 17968 4379 1 14 . 1 1 22 22 GLN H H 20 7.850 7.850 7.695 0.155 17968 4380 1 14 . 1 1 23 23 THR N N 21 115.810 115.810 112.715 3.095 17968 4381 1 14 . 1 1 23 23 THR HA H 21 4.920 4.920 4.754 0.166 17968 4382 1 14 . 1 1 23 23 THR CA C 21 58.730 58.730 61.055 -2.325 17968 4383 1 14 . 1 1 23 23 THR CB C 21 70.330 70.330 70.817 -0.487 17968 4384 1 14 . 1 1 23 23 THR H H 21 8.210 8.210 8.442 -0.232 17968 4385 1 14 . 1 1 24 24 THR N N 22 112.810 112.810 115.503 -2.693 17968 4386 1 14 . 1 1 24 24 THR HA H 22 4.860 4.860 4.903 -0.043 17968 4387 1 14 . 1 1 24 24 THR CA C 22 59.830 59.830 60.285 -0.455 17968 4388 1 14 . 1 1 24 24 THR CB C 22 74.030 74.030 70.294 3.736 17968 4389 1 14 . 1 1 24 24 THR H H 22 8.620 8.620 8.118 0.502 17968 4390 1 14 . 1 1 25 25 ILE N N 23 124.310 124.310 119.885 4.425 17968 4391 1 14 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.828 -0.168 17968 4392 1 14 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.114 -0.384 17968 4393 1 14 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.725 0.505 17968 4394 1 14 . 1 1 25 25 ILE H H 23 9.020 9.020 8.751 0.269 17968 4395 1 14 . 1 1 26 26 HIS N N 24 119.210 119.210 114.366 4.844 17968 4396 1 14 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.791 -0.411 17968 4397 1 14 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.500 -1.070 17968 4398 1 14 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.950 0.780 17968 4399 1 14 . 1 1 26 26 HIS H H 24 6.870 6.870 8.181 -1.311 17968 4400 1 14 . 1 1 27 27 ASP N N 25 116.510 116.510 119.919 -3.409 17968 4401 1 14 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.692 0.058 17968 4402 1 14 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.188 0.242 17968 4403 1 14 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.588 1.742 17968 4404 1 14 . 1 1 27 27 ASP H H 25 7.220 7.220 7.855 -0.635 17968 4405 1 14 . 1 1 28 28 ILE N N 26 123.310 123.310 122.565 0.745 17968 4406 1 14 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.970 -0.070 17968 4407 1 14 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.507 0.623 17968 4408 1 14 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.471 -0.541 17968 4409 1 14 . 1 1 28 28 ILE H H 26 7.690 7.690 7.614 0.076 17968 4410 1 14 . 1 1 29 29 ILE N N 27 130.910 130.910 129.670 1.240 17968 4411 1 14 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.085 0.275 17968 4412 1 14 . 1 1 29 29 ILE CA C 27 58.830 58.830 60.389 -1.558 17968 4413 1 14 . 1 1 29 29 ILE CB C 27 37.730 37.730 35.919 1.811 17968 4414 1 14 . 1 1 29 29 ILE H H 27 8.230 8.230 8.467 -0.237 17968 4415 1 14 . 1 1 30 30 LEU N N 28 129.310 129.310 129.699 -0.389 17968 4416 1 14 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.779 -0.129 17968 4417 1 14 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.577 -1.047 17968 4418 1 14 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.106 3.224 17968 4419 1 14 . 1 1 30 30 LEU H H 28 8.450 8.450 8.007 0.443 17968 4420 1 14 . 1 1 31 31 GLU N N 29 121.810 121.810 122.271 -0.461 17968 4421 1 14 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.665 -0.005 17968 4422 1 14 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.895 -0.165 17968 4423 1 14 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.123 1.807 17968 4424 1 14 . 1 1 31 31 GLU H H 29 8.820 8.820 8.457 0.363 17968 4425 1 14 . 1 1 32 32 CYS N N 30 125.510 125.510 120.147 5.363 17968 4426 1 14 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.888 -0.858 17968 4427 1 14 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.469 -1.239 17968 4428 1 14 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.131 3.699 17968 4429 1 14 . 1 1 32 32 CYS H H 30 8.240 8.240 8.504 -0.264 17968 4430 1 14 . 1 1 33 33 VAL N N 31 132.310 132.310 126.763 5.547 17968 4431 1 14 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.612 -0.532 17968 4432 1 14 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.801 -0.471 17968 4433 1 14 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.860 -0.230 17968 4434 1 14 . 1 1 33 33 VAL H H 31 8.880 8.880 8.409 0.471 17968 4435 1 14 . 1 1 34 34 TYR N N 32 124.210 124.210 116.816 7.394 17968 4436 1 14 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.629 -0.179 17968 4437 1 14 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.920 1.110 17968 4438 1 14 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.294 0.736 17968 4439 1 14 . 1 1 34 34 TYR H H 32 8.620 8.620 7.541 1.079 17968 4440 1 14 . 1 1 35 35 CYS N N 33 119.810 119.810 116.689 3.121 17968 4441 1 14 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.444 0.356 17968 4442 1 14 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.308 0.022 17968 4443 1 14 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.666 4.564 17968 4444 1 14 . 1 1 35 35 CYS H H 33 8.090 8.090 7.852 0.238 17968 4445 1 14 . 1 1 36 36 LYS N N 34 119.810 119.810 117.255 2.555 17968 4446 1 14 . 1 1 36 36 LYS HA H 34 4.160 4.160 3.903 0.257 17968 4447 1 14 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.905 0.925 17968 4448 1 14 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.747 -1.517 17968 4449 1 14 . 1 1 36 36 LYS H H 34 7.870 7.870 7.715 0.155 17968 4450 1 14 . 1 1 37 37 GLN N N 35 120.610 120.610 116.851 3.759 17968 4451 1 14 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.465 -0.095 17968 4452 1 14 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.715 0.715 17968 4453 1 14 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.171 -0.441 17968 4454 1 14 . 1 1 37 37 GLN H H 35 8.250 8.250 7.851 0.399 17968 4455 1 14 . 1 1 38 38 GLN N N 36 123.610 123.610 123.244 0.366 17968 4456 1 14 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.261 0.099 17968 4457 1 14 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.091 0.739 17968 4458 1 14 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.181 0.249 17968 4459 1 14 . 1 1 38 38 GLN H H 36 8.630 8.630 8.554 0.076 17968 4460 1 14 . 1 1 39 39 LEU N N 37 131.410 131.410 127.895 3.515 17968 4461 1 14 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.356 -0.256 17968 4462 1 14 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.459 2.771 17968 4463 1 14 . 1 1 39 39 LEU CB C 37 42.130 42.130 43.070 -0.940 17968 4464 1 14 . 1 1 39 39 LEU H H 37 8.830 8.830 7.859 0.971 17968 4465 1 14 . 1 1 40 40 LEU N N 38 126.410 126.410 121.688 4.722 17968 4466 1 14 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.422 -0.132 17968 4467 1 14 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.986 0.344 17968 4468 1 14 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.024 -0.094 17968 4469 1 14 . 1 1 40 40 LEU H H 38 9.780 9.780 8.338 1.442 17968 4470 1 14 . 1 1 41 41 ARG N N 39 126.610 126.610 121.154 5.456 17968 4471 1 14 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.721 -0.271 17968 4472 1 14 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.884 -0.954 17968 4473 1 14 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.503 -2.473 17968 4474 1 14 . 1 1 41 41 ARG H H 39 8.880 8.880 8.767 0.113 17968 4475 1 14 . 1 1 42 42 ARG N N 40 116.410 116.410 118.188 -1.778 17968 4476 1 14 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.770 0.230 17968 4477 1 14 . 1 1 42 42 ARG CA C 40 58.530 58.530 58.877 -0.347 17968 4478 1 14 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.485 3.345 17968 4479 1 14 . 1 1 42 42 ARG H H 40 8.590 8.590 8.387 0.203 17968 4480 1 14 . 1 1 43 43 GLU N N 41 117.710 117.710 118.466 -0.756 17968 4481 1 14 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.144 0.116 17968 4482 1 14 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.367 0.563 17968 4483 1 14 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.797 1.732 17968 4484 1 14 . 1 1 43 43 GLU H H 41 6.800 6.800 7.709 -0.909 17968 4485 1 14 . 1 1 44 44 VAL N N 42 124.710 124.710 120.302 4.408 17968 4486 1 14 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.693 -0.513 17968 4487 1 14 . 1 1 44 44 VAL CA C 42 67.530 67.530 65.449 2.081 17968 4488 1 14 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.977 0.353 17968 4489 1 14 . 1 1 44 44 VAL H H 42 7.760 7.760 7.435 0.325 17968 4490 1 14 . 1 1 45 45 TYR N N 43 118.310 118.310 118.716 -0.406 17968 4491 1 14 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.223 -0.033 17968 4492 1 14 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.359 -0.229 17968 4493 1 14 . 1 1 45 45 TYR CB C 43 38.730 38.730 36.432 2.298 17968 4494 1 14 . 1 1 45 45 TYR H H 43 7.600 7.600 7.379 0.221 17968 4495 1 14 . 1 1 46 46 ASP N N 44 120.910 120.910 120.754 0.156 17968 4496 1 14 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.511 0.199 17968 4497 1 14 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.339 0.691 17968 4498 1 14 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.162 0.668 17968 4499 1 14 . 1 1 46 46 ASP H H 44 8.660 8.660 7.884 0.776 17968 4500 1 14 . 1 1 47 47 PHE N N 45 125.310 125.310 119.295 6.015 17968 4501 1 14 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.243 -0.313 17968 4502 1 14 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.612 1.018 17968 4503 1 14 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.176 -0.146 17968 4504 1 14 . 1 1 47 47 PHE H H 45 8.250 8.250 7.851 0.399 17968 4505 1 14 . 1 1 48 48 ALA N N 46 119.710 119.710 121.250 -1.540 17968 4506 1 14 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.231 0.269 17968 4507 1 14 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.950 0.180 17968 4508 1 14 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.665 0.065 17968 4509 1 14 . 1 1 48 48 ALA H H 46 7.790 7.790 7.232 0.558 17968 4510 1 14 . 1 1 49 49 PHE N N 47 123.210 123.210 119.318 3.892 17968 4511 1 14 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.291 0.259 17968 4512 1 14 . 1 1 49 49 PHE CA C 47 60.530 60.530 61.104 -0.574 17968 4513 1 14 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.852 -0.822 17968 4514 1 14 . 1 1 49 49 PHE H H 47 9.040 9.040 8.448 0.592 17968 4515 1 14 . 1 1 50 50 ARG N N 48 119.810 119.810 118.192 1.618 17968 4516 1 14 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.407 -0.357 17968 4517 1 14 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.711 2.419 17968 4518 1 14 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.193 -0.163 17968 4519 1 14 . 1 1 50 50 ARG H H 48 8.100 8.100 7.877 0.223 17968 4520 1 14 . 1 1 51 51 ASP N N 49 120.910 120.910 121.146 -0.236 17968 4521 1 14 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.576 -0.126 17968 4522 1 14 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.425 0.105 17968 4523 1 14 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.525 -0.595 17968 4524 1 14 . 1 1 51 51 ASP H H 49 8.010 8.010 8.509 -0.499 17968 4525 1 14 . 1 1 52 52 LEU N N 50 118.510 118.510 125.108 -6.598 17968 4526 1 14 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.566 -0.396 17968 4527 1 14 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.202 1.028 17968 4528 1 14 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.610 -3.380 17968 4529 1 14 . 1 1 52 52 LEU H H 50 6.720 6.720 8.085 -1.365 17968 4530 1 14 . 1 1 53 53 CYS N N 51 117.410 117.410 118.769 -1.359 17968 4531 1 14 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.813 0.097 17968 4532 1 14 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.582 1.148 17968 4533 1 14 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.006 -1.276 17968 4534 1 14 . 1 1 53 53 CYS H H 51 8.030 8.030 8.197 -0.167 17968 4535 1 14 . 1 1 54 54 ILE N N 52 125.110 125.110 123.918 1.192 17968 4536 1 14 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.087 -0.097 17968 4537 1 14 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.707 -1.777 17968 4538 1 14 . 1 1 54 54 ILE CB C 52 37.730 37.730 37.977 -0.247 17968 4539 1 14 . 1 1 54 54 ILE H H 52 8.450 8.450 8.735 -0.285 17968 4540 1 14 . 1 1 55 55 VAL N N 53 127.010 127.010 126.271 0.739 17968 4541 1 14 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.161 0.189 17968 4542 1 14 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.219 -0.589 17968 4543 1 14 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.631 2.599 17968 4544 1 14 . 1 1 55 55 VAL H H 53 8.120 8.120 8.026 0.094 17968 4545 1 14 . 1 1 56 56 TYR N N 54 125.010 125.010 128.214 -3.204 17968 4546 1 14 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.939 0.441 17968 4547 1 14 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.230 0.200 17968 4548 1 14 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.734 2.296 17968 4549 1 14 . 1 1 56 56 TYR H H 54 8.710 8.710 8.426 0.284 17968 4550 1 14 . 1 1 57 57 ARG N N 55 123.810 123.810 125.405 -1.595 17968 4551 1 14 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.440 0.190 17968 4552 1 14 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.172 0.158 17968 4553 1 14 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.872 1.958 17968 4554 1 14 . 1 1 57 57 ARG H H 55 8.860 8.860 8.063 0.797 17968 4555 1 14 . 1 1 58 58 ASP N N 56 129.110 129.110 125.524 3.586 17968 4556 1 14 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.306 -0.006 17968 4557 1 14 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.002 -0.272 17968 4558 1 14 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.369 -0.239 17968 4559 1 14 . 1 1 58 58 ASP H H 56 9.630 9.630 9.017 0.613 17968 4560 1 14 . 1 1 59 59 GLY N N 57 104.510 104.510 104.616 -0.106 17968 4561 1 14 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.205 0.425 17968 4562 1 14 . 1 1 59 59 GLY H H 57 8.710 8.710 8.203 0.507 17968 4563 1 14 . 1 1 60 60 ASN N N 58 122.110 122.110 121.545 0.565 17968 4564 1 14 . 1 1 60 60 ASN HA H 58 5.380 5.380 4.984 0.396 17968 4565 1 14 . 1 1 60 60 ASN CA C 58 50.330 50.330 51.464 -1.134 17968 4566 1 14 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.960 0.470 17968 4567 1 14 . 1 1 60 60 ASN H H 58 8.130 8.130 7.637 0.493 17968 4568 1 14 . 1 1 61 61 PRO HA H 59 3.770 3.770 4.268 -0.498 17968 4569 1 14 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.732 -0.702 17968 4570 1 14 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.631 1.798 17968 4571 1 14 . 1 1 62 62 TYR N N 60 119.910 119.910 123.690 -3.780 17968 4572 1 14 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.539 -0.189 17968 4573 1 14 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.135 1.995 17968 4574 1 14 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.174 1.256 17968 4575 1 14 . 1 1 62 62 TYR H H 60 8.580 8.580 8.385 0.195 17968 4576 1 14 . 1 1 63 63 ALA N N 61 123.710 123.710 120.239 3.471 17968 4577 1 14 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.329 0.051 17968 4578 1 14 . 1 1 63 63 ALA CA C 61 49.330 49.330 50.011 -0.681 17968 4579 1 14 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.100 -0.870 17968 4580 1 14 . 1 1 63 63 ALA H H 61 7.980 7.980 9.079 -1.099 17968 4581 1 14 . 1 1 64 64 VAL N N 62 120.610 120.610 116.744 3.866 17968 4582 1 14 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.415 1.065 17968 4583 1 14 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.179 0.151 17968 4584 1 14 . 1 1 64 64 VAL CB C 62 36.230 36.230 34.316 1.914 17968 4585 1 14 . 1 1 64 64 VAL H H 62 6.330 6.330 8.229 -1.899 17968 4586 1 14 . 1 1 65 65 CYS N N 63 130.310 130.310 123.516 6.794 17968 4587 1 14 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.609 -0.049 17968 4588 1 14 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.492 0.938 17968 4589 1 14 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.517 1.513 17968 4590 1 14 . 1 1 65 65 CYS H H 63 9.420 9.420 8.414 1.006 17968 4591 1 14 . 1 1 66 66 ASP N N 64 121.110 121.110 121.031 0.079 17968 4592 1 14 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.236 0.174 17968 4593 1 14 . 1 1 66 66 ASP CA C 64 58.430 58.430 58.619 -0.189 17968 4594 1 14 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.929 1.601 17968 4595 1 14 . 1 1 66 66 ASP H H 64 9.040 9.040 9.071 -0.031 17968 4596 1 14 . 1 1 67 67 LYS N N 65 121.910 121.910 118.225 3.685 17968 4597 1 14 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.130 -0.140 17968 4598 1 14 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.421 0.709 17968 4599 1 14 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.448 0.382 17968 4600 1 14 . 1 1 67 67 LYS H H 65 8.330 8.330 8.532 -0.202 17968 4601 1 14 . 1 1 68 68 CYS N N 66 125.510 125.510 117.570 7.940 17968 4602 1 14 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.740 -0.630 17968 4603 1 14 . 1 1 68 68 CYS CA C 66 63.730 63.730 60.757 2.973 17968 4604 1 14 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.560 4.070 17968 4605 1 14 . 1 1 68 68 CYS H H 66 8.690 8.690 8.084 0.606 17968 4606 1 14 . 1 1 69 69 LEU N N 67 125.110 125.110 122.327 2.783 17968 4607 1 14 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.135 -0.105 17968 4608 1 14 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.023 0.607 17968 4609 1 14 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.898 0.332 17968 4610 1 14 . 1 1 69 69 LEU H H 67 8.460 8.460 8.875 -0.415 17968 4611 1 14 . 1 1 70 70 LYS N N 68 119.210 119.210 116.764 2.446 17968 4612 1 14 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.144 -0.164 17968 4613 1 14 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.584 0.446 17968 4614 1 14 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.304 -0.074 17968 4615 1 14 . 1 1 70 70 LYS H H 68 7.830 7.830 7.890 -0.060 17968 4616 1 14 . 1 1 71 71 PHE N N 69 121.710 121.710 118.822 2.888 17968 4617 1 14 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.336 -0.066 17968 4618 1 14 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.994 0.136 17968 4619 1 14 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.539 -0.109 17968 4620 1 14 . 1 1 71 71 PHE H H 69 7.810 7.810 7.506 0.304 17968 4621 1 15 . 1 1 4 4 PHE N N 2 122.310 122.310 122.931 -0.621 17968 4622 1 15 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.714 -0.094 17968 4623 1 15 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.923 -0.593 17968 4624 1 15 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.510 -1.080 17968 4625 1 15 . 1 1 4 4 PHE H H 2 8.370 8.370 8.467 -0.097 17968 4626 1 15 . 1 1 5 5 GLN N N 3 123.510 123.510 118.586 4.924 17968 4627 1 15 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.690 -0.500 17968 4628 1 15 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.986 2.044 17968 4629 1 15 . 1 1 5 5 GLN CB C 3 29.930 29.930 31.579 -1.649 17968 4630 1 15 . 1 1 5 5 GLN H H 3 8.250 8.250 8.542 -0.292 17968 4631 1 15 . 1 1 6 6 ASP N N 4 125.010 125.010 119.881 5.129 17968 4632 1 15 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.762 0.078 17968 4633 1 15 . 1 1 6 6 ASP CA C 4 52.030 52.030 52.357 -0.327 17968 4634 1 15 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.272 0.458 17968 4635 1 15 . 1 1 6 6 ASP H H 4 8.410 8.410 8.572 -0.162 17968 4636 1 15 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.547 -0.427 17968 4637 1 15 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.873 1.257 17968 4638 1 15 . 1 1 7 7 PRO CB C 5 32.330 32.330 31.892 0.438 17968 4639 1 15 . 1 1 8 8 GLN N N 6 119.710 119.710 121.236 -1.526 17968 4640 1 15 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.313 -0.163 17968 4641 1 15 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.121 0.509 17968 4642 1 15 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.069 1.261 17968 4643 1 15 . 1 1 8 8 GLN H H 6 8.430 8.430 7.966 0.464 17968 4644 1 15 . 1 1 9 9 GLU N N 7 122.110 122.110 124.059 -1.949 17968 4645 1 15 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.140 0.040 17968 4646 1 15 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.845 0.285 17968 4647 1 15 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.951 0.579 17968 4648 1 15 . 1 1 9 9 GLU H H 7 7.940 7.940 8.125 -0.185 17968 4649 1 15 . 1 1 10 10 ARG N N 8 123.410 123.410 115.370 8.040 17968 4650 1 15 . 1 1 10 10 ARG HA H 8 4.410 4.410 3.778 0.632 17968 4651 1 15 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.935 -1.805 17968 4652 1 15 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.905 1.425 17968 4653 1 15 . 1 1 10 10 ARG H H 8 7.670 7.670 7.983 -0.313 17968 4654 1 15 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.722 -0.382 17968 4655 1 15 . 1 1 11 11 PRO CA C 9 63.530 63.530 63.254 0.276 17968 4656 1 15 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.437 0.193 17968 4657 1 15 . 1 1 12 12 ARG N N 10 123.810 123.810 113.958 9.852 17968 4658 1 15 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.896 -0.236 17968 4659 1 15 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.072 1.758 17968 4660 1 15 . 1 1 12 12 ARG CB C 10 32.530 32.530 32.933 -0.403 17968 4661 1 15 . 1 1 12 12 ARG H H 10 8.700 8.700 8.286 0.414 17968 4662 1 15 . 1 1 13 13 LYS N N 11 118.310 118.310 119.445 -1.135 17968 4663 1 15 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.896 0.154 17968 4664 1 15 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.970 -0.740 17968 4665 1 15 . 1 1 13 13 LYS CB C 11 35.630 35.630 35.555 0.075 17968 4666 1 15 . 1 1 13 13 LYS H H 11 7.810 7.810 7.485 0.325 17968 4667 1 15 . 1 1 14 14 LEU N N 12 124.810 124.810 125.264 -0.454 17968 4668 1 15 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.259 -0.109 17968 4669 1 15 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.486 0.145 17968 4670 1 15 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.969 0.561 17968 4671 1 15 . 1 1 14 14 LEU H H 12 10.210 10.210 9.322 0.888 17968 4672 1 15 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.167 0.003 17968 4673 1 15 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.897 1.433 17968 4674 1 15 . 1 1 15 15 PRO CB C 13 30.530 30.530 31.009 -0.479 17968 4675 1 15 . 1 1 16 16 GLN N N 14 117.710 117.710 116.566 1.144 17968 4676 1 15 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.181 -0.021 17968 4677 1 15 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.846 0.284 17968 4678 1 15 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.526 0.104 17968 4679 1 15 . 1 1 16 16 GLN H H 14 7.100 7.100 8.349 -1.249 17968 4680 1 15 . 1 1 17 17 LEU N N 15 124.610 124.610 121.493 3.117 17968 4681 1 15 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.147 -0.147 17968 4682 1 15 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.596 1.034 17968 4683 1 15 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.893 0.137 17968 4684 1 15 . 1 1 17 17 LEU H H 15 8.020 8.020 7.789 0.231 17968 4685 1 15 . 1 1 18 18 CYS N N 16 117.210 117.210 117.388 -0.178 17968 4686 1 15 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.126 -0.396 17968 4687 1 15 . 1 1 18 18 CYS CA C 16 64.830 64.830 62.534 2.296 17968 4688 1 15 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.955 0.275 17968 4689 1 15 . 1 1 18 18 CYS H H 16 8.410 8.410 8.467 -0.057 17968 4690 1 15 . 1 1 19 19 THR N N 17 117.710 117.710 113.463 4.247 17968 4691 1 15 . 1 1 19 19 THR HA H 17 3.990 3.990 4.163 -0.173 17968 4692 1 15 . 1 1 19 19 THR CA C 17 66.830 66.830 65.914 0.916 17968 4693 1 15 . 1 1 19 19 THR CB C 17 68.830 68.830 68.328 0.502 17968 4694 1 15 . 1 1 19 19 THR H H 17 7.670 7.670 7.732 -0.062 17968 4695 1 15 . 1 1 20 20 GLU N N 18 125.410 125.410 120.404 5.006 17968 4696 1 15 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.279 -0.219 17968 4697 1 15 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.834 0.996 17968 4698 1 15 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.181 0.449 17968 4699 1 15 . 1 1 20 20 GLU H H 18 7.980 7.980 7.532 0.448 17968 4700 1 15 . 1 1 21 21 LEU N N 19 118.810 118.810 118.943 -0.133 17968 4701 1 15 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.385 -0.095 17968 4702 1 15 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.766 0.164 17968 4703 1 15 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.939 -0.709 17968 4704 1 15 . 1 1 21 21 LEU H H 19 7.990 7.990 7.658 0.332 17968 4705 1 15 . 1 1 22 22 GLN N N 20 118.310 118.310 115.566 2.744 17968 4706 1 15 . 1 1 22 22 GLN HA H 20 3.940 3.940 3.939 0.001 17968 4707 1 15 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.116 -0.486 17968 4708 1 15 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.274 -0.144 17968 4709 1 15 . 1 1 22 22 GLN H H 20 7.850 7.850 8.049 -0.199 17968 4710 1 15 . 1 1 23 23 THR N N 21 115.810 115.810 112.329 3.481 17968 4711 1 15 . 1 1 23 23 THR HA H 21 4.920 4.920 4.731 0.189 17968 4712 1 15 . 1 1 23 23 THR CA C 21 58.730 58.730 59.912 -1.182 17968 4713 1 15 . 1 1 23 23 THR CB C 21 70.330 70.330 70.174 0.156 17968 4714 1 15 . 1 1 23 23 THR H H 21 8.210 8.210 8.371 -0.161 17968 4715 1 15 . 1 1 24 24 THR N N 22 112.810 112.810 112.653 0.157 17968 4716 1 15 . 1 1 24 24 THR HA H 22 4.860 4.860 4.823 0.037 17968 4717 1 15 . 1 1 24 24 THR CA C 22 59.830 59.830 60.265 -0.435 17968 4718 1 15 . 1 1 24 24 THR CB C 22 74.030 74.030 70.710 3.320 17968 4719 1 15 . 1 1 24 24 THR H H 22 8.620 8.620 8.068 0.552 17968 4720 1 15 . 1 1 25 25 ILE N N 23 124.310 124.310 118.252 6.058 17968 4721 1 15 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.881 -0.221 17968 4722 1 15 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.243 -0.513 17968 4723 1 15 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.819 0.411 17968 4724 1 15 . 1 1 25 25 ILE H H 23 9.020 9.020 8.282 0.738 17968 4725 1 15 . 1 1 26 26 HIS N N 24 119.210 119.210 113.678 5.532 17968 4726 1 15 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.589 -0.209 17968 4727 1 15 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.861 -0.431 17968 4728 1 15 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.917 0.813 17968 4729 1 15 . 1 1 26 26 HIS H H 24 6.870 6.870 7.849 -0.979 17968 4730 1 15 . 1 1 27 27 ASP N N 25 116.510 116.510 118.921 -2.411 17968 4731 1 15 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.655 0.095 17968 4732 1 15 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.353 0.077 17968 4733 1 15 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.451 1.879 17968 4734 1 15 . 1 1 27 27 ASP H H 25 7.220 7.220 7.524 -0.304 17968 4735 1 15 . 1 1 28 28 ILE N N 26 123.310 123.310 122.213 1.097 17968 4736 1 15 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.990 -0.090 17968 4737 1 15 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.536 0.594 17968 4738 1 15 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.409 -0.479 17968 4739 1 15 . 1 1 28 28 ILE H H 26 7.690 7.690 7.756 -0.066 17968 4740 1 15 . 1 1 29 29 ILE N N 27 130.910 130.910 130.123 0.787 17968 4741 1 15 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.232 0.128 17968 4742 1 15 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.638 -0.808 17968 4743 1 15 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.188 0.542 17968 4744 1 15 . 1 1 29 29 ILE H H 27 8.230 8.230 8.351 -0.121 17968 4745 1 15 . 1 1 30 30 LEU N N 28 129.310 129.310 129.204 0.106 17968 4746 1 15 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.709 -0.059 17968 4747 1 15 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.141 -0.611 17968 4748 1 15 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.288 2.042 17968 4749 1 15 . 1 1 30 30 LEU H H 28 8.450 8.450 8.564 -0.114 17968 4750 1 15 . 1 1 31 31 GLU N N 29 121.810 121.810 118.281 3.529 17968 4751 1 15 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.041 -0.381 17968 4752 1 15 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.652 0.078 17968 4753 1 15 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.718 0.212 17968 4754 1 15 . 1 1 31 31 GLU H H 29 8.820 8.820 8.606 0.214 17968 4755 1 15 . 1 1 32 32 CYS N N 30 125.510 125.510 120.714 4.796 17968 4756 1 15 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.101 -1.071 17968 4757 1 15 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.182 -0.952 17968 4758 1 15 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.362 3.468 17968 4759 1 15 . 1 1 32 32 CYS H H 30 8.240 8.240 8.619 -0.379 17968 4760 1 15 . 1 1 33 33 VAL N N 31 132.310 132.310 127.409 4.901 17968 4761 1 15 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.062 0.018 17968 4762 1 15 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.717 -0.387 17968 4763 1 15 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.655 -0.025 17968 4764 1 15 . 1 1 33 33 VAL H H 31 8.880 8.880 8.438 0.442 17968 4765 1 15 . 1 1 34 34 TYR N N 32 124.210 124.210 115.574 8.636 17968 4766 1 15 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.635 -0.185 17968 4767 1 15 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.117 1.913 17968 4768 1 15 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.643 0.387 17968 4769 1 15 . 1 1 34 34 TYR H H 32 8.620 8.620 7.540 1.080 17968 4770 1 15 . 1 1 35 35 CYS N N 33 119.810 119.810 117.539 2.271 17968 4771 1 15 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.519 0.281 17968 4772 1 15 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.362 -0.032 17968 4773 1 15 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.644 4.586 17968 4774 1 15 . 1 1 35 35 CYS H H 33 8.090 8.090 7.932 0.158 17968 4775 1 15 . 1 1 36 36 LYS N N 34 119.810 119.810 115.803 4.007 17968 4776 1 15 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.105 0.055 17968 4777 1 15 . 1 1 36 36 LYS CA C 34 57.830 57.830 56.983 0.847 17968 4778 1 15 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.807 -1.577 17968 4779 1 15 . 1 1 36 36 LYS H H 34 7.870 7.870 7.580 0.290 17968 4780 1 15 . 1 1 37 37 GLN N N 35 120.610 120.610 117.688 2.922 17968 4781 1 15 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.376 -0.006 17968 4782 1 15 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.744 -0.314 17968 4783 1 15 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.057 -0.327 17968 4784 1 15 . 1 1 37 37 GLN H H 35 8.250 8.250 7.959 0.291 17968 4785 1 15 . 1 1 38 38 GLN N N 36 123.610 123.610 124.369 -0.759 17968 4786 1 15 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.206 0.154 17968 4787 1 15 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.591 0.239 17968 4788 1 15 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.903 0.527 17968 4789 1 15 . 1 1 38 38 GLN H H 36 8.630 8.630 8.653 -0.023 17968 4790 1 15 . 1 1 39 39 LEU N N 37 131.410 131.410 128.367 3.043 17968 4791 1 15 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.342 -0.242 17968 4792 1 15 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.580 2.650 17968 4793 1 15 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.389 -0.259 17968 4794 1 15 . 1 1 39 39 LEU H H 37 8.830 8.830 8.595 0.235 17968 4795 1 15 . 1 1 40 40 LEU N N 38 126.410 126.410 124.393 2.017 17968 4796 1 15 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.226 0.064 17968 4797 1 15 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.745 -0.415 17968 4798 1 15 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.647 0.283 17968 4799 1 15 . 1 1 40 40 LEU H H 38 9.780 9.780 8.369 1.411 17968 4800 1 15 . 1 1 41 41 ARG N N 39 126.610 126.610 121.856 4.754 17968 4801 1 15 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.770 -0.320 17968 4802 1 15 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.524 -1.594 17968 4803 1 15 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.806 -2.776 17968 4804 1 15 . 1 1 41 41 ARG H H 39 8.880 8.880 8.682 0.198 17968 4805 1 15 . 1 1 42 42 ARG N N 40 116.410 116.410 118.321 -1.911 17968 4806 1 15 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.972 0.028 17968 4807 1 15 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.415 -0.885 17968 4808 1 15 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.798 3.032 17968 4809 1 15 . 1 1 42 42 ARG H H 40 8.590 8.590 8.505 0.085 17968 4810 1 15 . 1 1 43 43 GLU N N 41 117.710 117.710 118.302 -0.592 17968 4811 1 15 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.225 0.035 17968 4812 1 15 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.475 0.455 17968 4813 1 15 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.336 1.194 17968 4814 1 15 . 1 1 43 43 GLU H H 41 6.800 6.800 7.745 -0.945 17968 4815 1 15 . 1 1 44 44 VAL N N 42 124.710 124.710 120.290 4.420 17968 4816 1 15 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.735 -0.555 17968 4817 1 15 . 1 1 44 44 VAL CA C 42 67.530 67.530 65.808 1.722 17968 4818 1 15 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.981 0.349 17968 4819 1 15 . 1 1 44 44 VAL H H 42 7.760 7.760 8.006 -0.246 17968 4820 1 15 . 1 1 45 45 TYR N N 43 118.310 118.310 119.517 -1.207 17968 4821 1 15 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.255 -0.065 17968 4822 1 15 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.079 0.051 17968 4823 1 15 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.172 1.558 17968 4824 1 15 . 1 1 45 45 TYR H H 43 7.600 7.600 8.205 -0.605 17968 4825 1 15 . 1 1 46 46 ASP N N 44 120.910 120.910 119.965 0.945 17968 4826 1 15 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.379 0.331 17968 4827 1 15 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.847 0.183 17968 4828 1 15 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.831 -0.001 17968 4829 1 15 . 1 1 46 46 ASP H H 44 8.660 8.660 7.644 1.016 17968 4830 1 15 . 1 1 47 47 PHE N N 45 125.310 125.310 120.010 5.300 17968 4831 1 15 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.224 -0.294 17968 4832 1 15 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.085 1.545 17968 4833 1 15 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.349 -0.319 17968 4834 1 15 . 1 1 47 47 PHE H H 45 8.250 8.250 7.761 0.489 17968 4835 1 15 . 1 1 48 48 ALA N N 46 119.710 119.710 120.758 -1.048 17968 4836 1 15 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.281 0.219 17968 4837 1 15 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.792 0.338 17968 4838 1 15 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.487 0.243 17968 4839 1 15 . 1 1 48 48 ALA H H 46 7.790 7.790 7.778 0.012 17968 4840 1 15 . 1 1 49 49 PHE N N 47 123.210 123.210 118.750 4.460 17968 4841 1 15 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.268 0.282 17968 4842 1 15 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.187 0.343 17968 4843 1 15 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.624 -0.594 17968 4844 1 15 . 1 1 49 49 PHE H H 47 9.040 9.040 8.144 0.896 17968 4845 1 15 . 1 1 50 50 ARG N N 48 119.810 119.810 117.617 2.193 17968 4846 1 15 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.407 -0.357 17968 4847 1 15 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.232 2.898 17968 4848 1 15 . 1 1 50 50 ARG CB C 48 31.030 31.030 32.606 -1.577 17968 4849 1 15 . 1 1 50 50 ARG H H 48 8.100 8.100 7.295 0.805 17968 4850 1 15 . 1 1 51 51 ASP N N 49 120.910 120.910 120.741 0.169 17968 4851 1 15 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.646 -0.196 17968 4852 1 15 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.007 0.523 17968 4853 1 15 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.580 -0.650 17968 4854 1 15 . 1 1 51 51 ASP H H 49 8.010 8.010 8.540 -0.530 17968 4855 1 15 . 1 1 52 52 LEU N N 50 118.510 118.510 124.541 -6.031 17968 4856 1 15 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.638 -0.468 17968 4857 1 15 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.298 0.931 17968 4858 1 15 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.228 -3.998 17968 4859 1 15 . 1 1 52 52 LEU H H 50 6.720 6.720 7.581 -0.861 17968 4860 1 15 . 1 1 53 53 CYS N N 51 117.410 117.410 121.445 -4.035 17968 4861 1 15 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.256 -0.346 17968 4862 1 15 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.994 1.736 17968 4863 1 15 . 1 1 53 53 CYS CB C 51 28.730 28.730 28.187 0.543 17968 4864 1 15 . 1 1 53 53 CYS H H 51 8.030 8.030 8.337 -0.307 17968 4865 1 15 . 1 1 54 54 ILE N N 52 125.110 125.110 124.140 0.970 17968 4866 1 15 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.100 -0.110 17968 4867 1 15 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.427 -1.497 17968 4868 1 15 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.212 -0.483 17968 4869 1 15 . 1 1 54 54 ILE H H 52 8.450 8.450 8.034 0.416 17968 4870 1 15 . 1 1 55 55 VAL N N 53 127.010 127.010 122.904 4.106 17968 4871 1 15 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.279 0.071 17968 4872 1 15 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.032 -0.402 17968 4873 1 15 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.078 2.152 17968 4874 1 15 . 1 1 55 55 VAL H H 53 8.120 8.120 7.872 0.248 17968 4875 1 15 . 1 1 56 56 TYR N N 54 125.010 125.010 126.989 -1.979 17968 4876 1 15 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.877 0.503 17968 4877 1 15 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.165 0.265 17968 4878 1 15 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.045 1.985 17968 4879 1 15 . 1 1 56 56 TYR H H 54 8.710 8.710 8.429 0.281 17968 4880 1 15 . 1 1 57 57 ARG N N 55 123.810 123.810 125.138 -1.328 17968 4881 1 15 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.552 0.078 17968 4882 1 15 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.241 0.089 17968 4883 1 15 . 1 1 57 57 ARG CB C 55 32.830 32.830 31.616 1.214 17968 4884 1 15 . 1 1 57 57 ARG H H 55 8.860 8.860 8.209 0.651 17968 4885 1 15 . 1 1 58 58 ASP N N 56 129.110 129.110 125.413 3.697 17968 4886 1 15 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.297 0.003 17968 4887 1 15 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.950 -1.220 17968 4888 1 15 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.351 -0.221 17968 4889 1 15 . 1 1 58 58 ASP H H 56 9.630 9.630 9.329 0.301 17968 4890 1 15 . 1 1 59 59 GLY N N 57 104.510 104.510 104.605 -0.095 17968 4891 1 15 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.241 0.389 17968 4892 1 15 . 1 1 59 59 GLY H H 57 8.710 8.710 8.416 0.294 17968 4893 1 15 . 1 1 60 60 ASN N N 58 122.110 122.110 119.384 2.726 17968 4894 1 15 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.247 0.133 17968 4895 1 15 . 1 1 60 60 ASN CA C 58 50.330 50.330 49.569 0.761 17968 4896 1 15 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.065 -0.635 17968 4897 1 15 . 1 1 60 60 ASN H H 58 8.130 8.130 7.934 0.196 17968 4898 1 15 . 1 1 61 61 PRO HA H 59 3.770 3.770 4.169 -0.399 17968 4899 1 15 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.936 -0.906 17968 4900 1 15 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.344 2.086 17968 4901 1 15 . 1 1 62 62 TYR N N 60 119.910 119.910 123.700 -3.790 17968 4902 1 15 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.869 -0.519 17968 4903 1 15 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.136 1.994 17968 4904 1 15 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.019 1.411 17968 4905 1 15 . 1 1 62 62 TYR H H 60 8.580 8.580 7.444 1.136 17968 4906 1 15 . 1 1 63 63 ALA N N 61 123.710 123.710 121.707 2.003 17968 4907 1 15 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.488 -0.108 17968 4908 1 15 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.786 -0.456 17968 4909 1 15 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.383 -1.153 17968 4910 1 15 . 1 1 63 63 ALA H H 61 7.980 7.980 8.698 -0.718 17968 4911 1 15 . 1 1 64 64 VAL N N 62 120.610 120.610 119.982 0.628 17968 4912 1 15 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.203 1.277 17968 4913 1 15 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.755 -0.425 17968 4914 1 15 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.212 4.018 17968 4915 1 15 . 1 1 64 64 VAL H H 62 6.330 6.330 8.456 -2.126 17968 4916 1 15 . 1 1 65 65 CYS N N 63 130.310 130.310 124.148 6.162 17968 4917 1 15 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.458 0.102 17968 4918 1 15 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.857 0.573 17968 4919 1 15 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.206 1.824 17968 4920 1 15 . 1 1 65 65 CYS H H 63 9.420 9.420 8.595 0.825 17968 4921 1 15 . 1 1 66 66 ASP N N 64 121.110 121.110 120.396 0.714 17968 4922 1 15 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.183 0.227 17968 4923 1 15 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.653 0.777 17968 4924 1 15 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.893 1.637 17968 4925 1 15 . 1 1 66 66 ASP H H 64 9.040 9.040 9.025 0.015 17968 4926 1 15 . 1 1 67 67 LYS N N 65 121.910 121.910 119.280 2.630 17968 4927 1 15 . 1 1 67 67 LYS HA H 65 3.990 3.990 3.635 0.355 17968 4928 1 15 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.538 1.592 17968 4929 1 15 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.127 0.703 17968 4930 1 15 . 1 1 67 67 LYS H H 65 8.330 8.330 8.011 0.319 17968 4931 1 15 . 1 1 68 68 CYS N N 66 125.510 125.510 119.235 6.275 17968 4932 1 15 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.347 -0.237 17968 4933 1 15 . 1 1 68 68 CYS CA C 66 63.730 63.730 62.894 0.836 17968 4934 1 15 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.041 4.589 17968 4935 1 15 . 1 1 68 68 CYS H H 66 8.690 8.690 7.634 1.056 17968 4936 1 15 . 1 1 69 69 LEU N N 67 125.110 125.110 120.562 4.548 17968 4937 1 15 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.039 -0.009 17968 4938 1 15 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.228 0.402 17968 4939 1 15 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.918 0.312 17968 4940 1 15 . 1 1 69 69 LEU H H 67 8.460 8.460 8.642 -0.182 17968 4941 1 15 . 1 1 70 70 LYS N N 68 119.210 119.210 118.857 0.353 17968 4942 1 15 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.156 -0.176 17968 4943 1 15 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.395 0.635 17968 4944 1 15 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.935 -0.705 17968 4945 1 15 . 1 1 70 70 LYS H H 68 7.830 7.830 7.467 0.363 17968 4946 1 15 . 1 1 71 71 PHE N N 69 121.710 121.710 117.790 3.920 17968 4947 1 15 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.297 -0.027 17968 4948 1 15 . 1 1 71 71 PHE CA C 69 60.130 60.130 59.562 0.568 17968 4949 1 15 . 1 1 71 71 PHE CB C 69 39.430 39.430 38.542 0.888 17968 4950 1 15 . 1 1 71 71 PHE H H 69 7.810 7.810 7.688 0.122 17968 4951 1 16 . 1 1 4 4 PHE N N 2 122.310 122.310 123.574 -1.264 17968 4952 1 16 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.624 -0.004 17968 4953 1 16 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.481 -1.151 17968 4954 1 16 . 1 1 4 4 PHE CB C 2 39.430 39.430 40.258 -0.828 17968 4955 1 16 . 1 1 4 4 PHE H H 2 8.370 8.370 8.374 -0.004 17968 4956 1 16 . 1 1 5 5 GLN N N 3 123.510 123.510 123.128 0.382 17968 4957 1 16 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.461 -0.271 17968 4958 1 16 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.653 1.377 17968 4959 1 16 . 1 1 5 5 GLN CB C 3 29.930 29.930 29.801 0.129 17968 4960 1 16 . 1 1 5 5 GLN H H 3 8.250 8.250 7.810 0.440 17968 4961 1 16 . 1 1 6 6 ASP N N 4 125.010 125.010 117.269 7.741 17968 4962 1 16 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.989 -0.149 17968 4963 1 16 . 1 1 6 6 ASP CA C 4 52.030 52.030 51.897 0.133 17968 4964 1 16 . 1 1 6 6 ASP CB C 4 41.730 41.730 42.629 -0.899 17968 4965 1 16 . 1 1 6 6 ASP H H 4 8.410 8.410 8.247 0.163 17968 4966 1 16 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.725 -0.605 17968 4967 1 16 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.425 0.704 17968 4968 1 16 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.419 -0.089 17968 4969 1 16 . 1 1 8 8 GLN N N 6 119.710 119.710 116.267 3.443 17968 4970 1 16 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.092 0.058 17968 4971 1 16 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.984 -0.354 17968 4972 1 16 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.653 1.677 17968 4973 1 16 . 1 1 8 8 GLN H H 6 8.430 8.430 8.561 -0.131 17968 4974 1 16 . 1 1 9 9 GLU N N 7 122.110 122.110 117.434 4.676 17968 4975 1 16 . 1 1 9 9 GLU HA H 7 4.180 4.180 3.756 0.424 17968 4976 1 16 . 1 1 9 9 GLU CA C 7 56.130 56.130 58.350 -2.220 17968 4977 1 16 . 1 1 9 9 GLU CB C 7 30.530 30.530 29.392 1.138 17968 4978 1 16 . 1 1 9 9 GLU H H 7 7.940 7.940 8.656 -0.716 17968 4979 1 16 . 1 1 10 10 ARG N N 8 123.410 123.410 117.575 5.835 17968 4980 1 16 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.115 0.295 17968 4981 1 16 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.895 -1.766 17968 4982 1 16 . 1 1 10 10 ARG CB C 8 29.330 29.330 29.441 -0.111 17968 4983 1 16 . 1 1 10 10 ARG H H 8 7.670 7.670 8.123 -0.453 17968 4984 1 16 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.497 -0.157 17968 4985 1 16 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.266 1.264 17968 4986 1 16 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.981 -0.351 17968 4987 1 16 . 1 1 12 12 ARG N N 10 123.810 123.810 121.704 2.106 17968 4988 1 16 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.551 0.109 17968 4989 1 16 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.865 0.965 17968 4990 1 16 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.395 2.135 17968 4991 1 16 . 1 1 12 12 ARG H H 10 8.700 8.700 8.651 0.049 17968 4992 1 16 . 1 1 13 13 LYS N N 11 118.310 118.310 118.020 0.290 17968 4993 1 16 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.728 0.322 17968 4994 1 16 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.145 -0.915 17968 4995 1 16 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.797 0.833 17968 4996 1 16 . 1 1 13 13 LYS H H 11 7.810 7.810 7.371 0.439 17968 4997 1 16 . 1 1 14 14 LEU N N 12 124.810 124.810 126.894 -2.084 17968 4998 1 16 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.170 -0.020 17968 4999 1 16 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.615 0.015 17968 5000 1 16 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.971 0.559 17968 5001 1 16 . 1 1 14 14 LEU H H 12 10.210 10.210 9.370 0.840 17968 5002 1 16 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.122 0.048 17968 5003 1 16 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.783 1.547 17968 5004 1 16 . 1 1 15 15 PRO CB C 13 30.530 30.530 31.063 -0.533 17968 5005 1 16 . 1 1 16 16 GLN N N 14 117.710 117.710 115.568 2.142 17968 5006 1 16 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.190 -0.030 17968 5007 1 16 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.480 1.650 17968 5008 1 16 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.860 -0.230 17968 5009 1 16 . 1 1 16 16 GLN H H 14 7.100 7.100 7.731 -0.631 17968 5010 1 16 . 1 1 17 17 LEU N N 15 124.610 124.610 121.943 2.667 17968 5011 1 16 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.179 -0.179 17968 5012 1 16 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.510 1.120 17968 5013 1 16 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.719 0.311 17968 5014 1 16 . 1 1 17 17 LEU H H 15 8.020 8.020 7.748 0.272 17968 5015 1 16 . 1 1 18 18 CYS N N 16 117.210 117.210 116.737 0.473 17968 5016 1 16 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.140 -0.410 17968 5017 1 16 . 1 1 18 18 CYS CA C 16 64.830 64.830 62.059 2.772 17968 5018 1 16 . 1 1 18 18 CYS CB C 16 26.230 26.230 25.665 0.565 17968 5019 1 16 . 1 1 18 18 CYS H H 16 8.410 8.410 7.937 0.473 17968 5020 1 16 . 1 1 19 19 THR N N 17 117.710 117.710 114.437 3.273 17968 5021 1 16 . 1 1 19 19 THR HA H 17 3.990 3.990 4.062 -0.072 17968 5022 1 16 . 1 1 19 19 THR CA C 17 66.830 66.830 66.302 0.528 17968 5023 1 16 . 1 1 19 19 THR CB C 17 68.830 68.830 68.522 0.308 17968 5024 1 16 . 1 1 19 19 THR H H 17 7.670 7.670 7.625 0.045 17968 5025 1 16 . 1 1 20 20 GLU N N 18 125.410 125.410 120.547 4.863 17968 5026 1 16 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.248 -0.188 17968 5027 1 16 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.378 1.452 17968 5028 1 16 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.347 0.283 17968 5029 1 16 . 1 1 20 20 GLU H H 18 7.980 7.980 7.659 0.321 17968 5030 1 16 . 1 1 21 21 LEU N N 19 118.810 118.810 118.389 0.421 17968 5031 1 16 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.365 -0.075 17968 5032 1 16 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.823 0.107 17968 5033 1 16 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.334 -0.104 17968 5034 1 16 . 1 1 21 21 LEU H H 19 7.990 7.990 7.496 0.494 17968 5035 1 16 . 1 1 22 22 GLN N N 20 118.310 118.310 117.258 1.052 17968 5036 1 16 . 1 1 22 22 GLN HA H 20 3.940 3.940 3.949 -0.009 17968 5037 1 16 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.116 -0.486 17968 5038 1 16 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.436 -0.307 17968 5039 1 16 . 1 1 22 22 GLN H H 20 7.850 7.850 7.650 0.200 17968 5040 1 16 . 1 1 23 23 THR N N 21 115.810 115.810 113.069 2.741 17968 5041 1 16 . 1 1 23 23 THR HA H 21 4.920 4.920 4.700 0.220 17968 5042 1 16 . 1 1 23 23 THR CA C 21 58.730 58.730 61.169 -2.439 17968 5043 1 16 . 1 1 23 23 THR CB C 21 70.330 70.330 70.255 0.075 17968 5044 1 16 . 1 1 23 23 THR H H 21 8.210 8.210 8.388 -0.178 17968 5045 1 16 . 1 1 24 24 THR N N 22 112.810 112.810 113.046 -0.236 17968 5046 1 16 . 1 1 24 24 THR HA H 22 4.860 4.860 4.803 0.057 17968 5047 1 16 . 1 1 24 24 THR CA C 22 59.830 59.830 60.450 -0.619 17968 5048 1 16 . 1 1 24 24 THR CB C 22 74.030 74.030 70.348 3.682 17968 5049 1 16 . 1 1 24 24 THR H H 22 8.620 8.620 8.099 0.521 17968 5050 1 16 . 1 1 25 25 ILE N N 23 124.310 124.310 118.743 5.567 17968 5051 1 16 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.827 -0.167 17968 5052 1 16 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.446 -0.716 17968 5053 1 16 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.794 0.436 17968 5054 1 16 . 1 1 25 25 ILE H H 23 9.020 9.020 8.256 0.764 17968 5055 1 16 . 1 1 26 26 HIS N N 24 119.210 119.210 113.161 6.049 17968 5056 1 16 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.666 -0.286 17968 5057 1 16 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.380 0.050 17968 5058 1 16 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.441 1.289 17968 5059 1 16 . 1 1 26 26 HIS H H 24 6.870 6.870 7.715 -0.845 17968 5060 1 16 . 1 1 27 27 ASP N N 25 116.510 116.510 118.386 -1.876 17968 5061 1 16 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.732 0.018 17968 5062 1 16 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.211 0.219 17968 5063 1 16 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.352 0.978 17968 5064 1 16 . 1 1 27 27 ASP H H 25 7.220 7.220 7.698 -0.478 17968 5065 1 16 . 1 1 28 28 ILE N N 26 123.310 123.310 122.927 0.383 17968 5066 1 16 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.948 -0.048 17968 5067 1 16 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.587 0.543 17968 5068 1 16 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.413 -0.483 17968 5069 1 16 . 1 1 28 28 ILE H H 26 7.690 7.690 7.841 -0.151 17968 5070 1 16 . 1 1 29 29 ILE N N 27 130.910 130.910 129.323 1.587 17968 5071 1 16 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.235 0.125 17968 5072 1 16 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.327 -0.497 17968 5073 1 16 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.703 0.027 17968 5074 1 16 . 1 1 29 29 ILE H H 27 8.230 8.230 8.167 0.063 17968 5075 1 16 . 1 1 30 30 LEU N N 28 129.310 129.310 128.329 0.981 17968 5076 1 16 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.566 0.084 17968 5077 1 16 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.554 -1.024 17968 5078 1 16 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.021 2.309 17968 5079 1 16 . 1 1 30 30 LEU H H 28 8.450 8.450 8.532 -0.082 17968 5080 1 16 . 1 1 31 31 GLU N N 29 121.810 121.810 119.905 1.905 17968 5081 1 16 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.880 -0.220 17968 5082 1 16 . 1 1 31 31 GLU CA C 29 53.730 53.730 54.538 -0.808 17968 5083 1 16 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.086 0.844 17968 5084 1 16 . 1 1 31 31 GLU H H 29 8.820 8.820 8.544 0.276 17968 5085 1 16 . 1 1 32 32 CYS N N 30 125.510 125.510 122.230 3.280 17968 5086 1 16 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.021 -0.991 17968 5087 1 16 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.797 -1.567 17968 5088 1 16 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.961 3.869 17968 5089 1 16 . 1 1 32 32 CYS H H 30 8.240 8.240 8.593 -0.353 17968 5090 1 16 . 1 1 33 33 VAL N N 31 132.310 132.310 127.444 4.866 17968 5091 1 16 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.295 -0.215 17968 5092 1 16 . 1 1 33 33 VAL CA C 31 64.330 64.330 65.301 -0.971 17968 5093 1 16 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.034 -0.404 17968 5094 1 16 . 1 1 33 33 VAL H H 31 8.880 8.880 8.663 0.217 17968 5095 1 16 . 1 1 34 34 TYR N N 32 124.210 124.210 116.827 7.383 17968 5096 1 16 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.539 -0.089 17968 5097 1 16 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.823 0.207 17968 5098 1 16 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.290 1.740 17968 5099 1 16 . 1 1 34 34 TYR H H 32 8.620 8.620 7.498 1.122 17968 5100 1 16 . 1 1 35 35 CYS N N 33 119.810 119.810 116.047 3.763 17968 5101 1 16 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.364 0.436 17968 5102 1 16 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.441 -0.110 17968 5103 1 16 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.049 5.181 17968 5104 1 16 . 1 1 35 35 CYS H H 33 8.090 8.090 7.738 0.352 17968 5105 1 16 . 1 1 36 36 LYS N N 34 119.810 119.810 116.395 3.415 17968 5106 1 16 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.176 -0.016 17968 5107 1 16 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.019 0.811 17968 5108 1 16 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.464 -1.234 17968 5109 1 16 . 1 1 36 36 LYS H H 34 7.870 7.870 7.825 0.045 17968 5110 1 16 . 1 1 37 37 GLN N N 35 120.610 120.610 117.354 3.256 17968 5111 1 16 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.514 -0.144 17968 5112 1 16 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.599 0.831 17968 5113 1 16 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.110 -0.380 17968 5114 1 16 . 1 1 37 37 GLN H H 35 8.250 8.250 7.934 0.316 17968 5115 1 16 . 1 1 38 38 GLN N N 36 123.610 123.610 124.159 -0.549 17968 5116 1 16 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.331 0.029 17968 5117 1 16 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.654 0.177 17968 5118 1 16 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.926 0.504 17968 5119 1 16 . 1 1 38 38 GLN H H 36 8.630 8.630 8.576 0.054 17968 5120 1 16 . 1 1 39 39 LEU N N 37 131.410 131.410 126.940 4.470 17968 5121 1 16 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.281 -0.181 17968 5122 1 16 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.091 2.139 17968 5123 1 16 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.719 -0.589 17968 5124 1 16 . 1 1 39 39 LEU H H 37 8.830 8.830 8.354 0.476 17968 5125 1 16 . 1 1 40 40 LEU N N 38 126.410 126.410 121.319 5.091 17968 5126 1 16 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.506 -0.216 17968 5127 1 16 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.012 0.318 17968 5128 1 16 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.029 -0.099 17968 5129 1 16 . 1 1 40 40 LEU H H 38 9.780 9.780 8.041 1.739 17968 5130 1 16 . 1 1 41 41 ARG N N 39 126.610 126.610 120.423 6.187 17968 5131 1 16 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.853 -0.403 17968 5132 1 16 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.955 -1.025 17968 5133 1 16 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.674 -2.643 17968 5134 1 16 . 1 1 41 41 ARG H H 39 8.880 8.880 8.674 0.206 17968 5135 1 16 . 1 1 42 42 ARG N N 40 116.410 116.410 120.197 -3.787 17968 5136 1 16 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.987 0.013 17968 5137 1 16 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.670 -1.140 17968 5138 1 16 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.630 3.200 17968 5139 1 16 . 1 1 42 42 ARG H H 40 8.590 8.590 8.578 0.012 17968 5140 1 16 . 1 1 43 43 GLU N N 41 117.710 117.710 119.146 -1.436 17968 5141 1 16 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.189 0.071 17968 5142 1 16 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.999 -0.069 17968 5143 1 16 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.724 1.806 17968 5144 1 16 . 1 1 43 43 GLU H H 41 6.800 6.800 7.955 -1.155 17968 5145 1 16 . 1 1 44 44 VAL N N 42 124.710 124.710 121.269 3.441 17968 5146 1 16 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.714 -0.534 17968 5147 1 16 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.478 1.052 17968 5148 1 16 . 1 1 44 44 VAL CB C 42 31.330 31.330 30.880 0.450 17968 5149 1 16 . 1 1 44 44 VAL H H 42 7.760 7.760 7.999 -0.239 17968 5150 1 16 . 1 1 45 45 TYR N N 43 118.310 118.310 119.487 -1.177 17968 5151 1 16 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.266 -0.076 17968 5152 1 16 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.905 0.225 17968 5153 1 16 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.264 1.466 17968 5154 1 16 . 1 1 45 45 TYR H H 43 7.600 7.600 8.267 -0.667 17968 5155 1 16 . 1 1 46 46 ASP N N 44 120.910 120.910 119.696 1.214 17968 5156 1 16 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.430 0.280 17968 5157 1 16 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.097 0.933 17968 5158 1 16 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.841 -0.011 17968 5159 1 16 . 1 1 46 46 ASP H H 44 8.660 8.660 7.891 0.769 17968 5160 1 16 . 1 1 47 47 PHE N N 45 125.310 125.310 120.113 5.197 17968 5161 1 16 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.275 -0.345 17968 5162 1 16 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.419 1.210 17968 5163 1 16 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.562 -0.533 17968 5164 1 16 . 1 1 47 47 PHE H H 45 8.250 8.250 8.204 0.046 17968 5165 1 16 . 1 1 48 48 ALA N N 46 119.710 119.710 120.060 -0.350 17968 5166 1 16 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.286 0.214 17968 5167 1 16 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.577 0.553 17968 5168 1 16 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.491 0.239 17968 5169 1 16 . 1 1 48 48 ALA H H 46 7.790 7.790 7.980 -0.190 17968 5170 1 16 . 1 1 49 49 PHE N N 47 123.210 123.210 119.768 3.442 17968 5171 1 16 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.293 0.257 17968 5172 1 16 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.312 0.218 17968 5173 1 16 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.692 -0.662 17968 5174 1 16 . 1 1 49 49 PHE H H 47 9.040 9.040 7.991 1.049 17968 5175 1 16 . 1 1 50 50 ARG N N 48 119.810 119.810 117.938 1.872 17968 5176 1 16 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.366 -0.316 17968 5177 1 16 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.471 2.659 17968 5178 1 16 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.504 -0.474 17968 5179 1 16 . 1 1 50 50 ARG H H 48 8.100 8.100 7.524 0.576 17968 5180 1 16 . 1 1 51 51 ASP N N 49 120.910 120.910 120.788 0.122 17968 5181 1 16 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.644 -0.194 17968 5182 1 16 . 1 1 51 51 ASP CA C 49 54.530 54.530 53.934 0.595 17968 5183 1 16 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.034 -0.104 17968 5184 1 16 . 1 1 51 51 ASP H H 49 8.010 8.010 8.508 -0.498 17968 5185 1 16 . 1 1 52 52 LEU N N 50 118.510 118.510 123.503 -4.993 17968 5186 1 16 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.555 -0.385 17968 5187 1 16 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.316 0.915 17968 5188 1 16 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.447 -3.217 17968 5189 1 16 . 1 1 52 52 LEU H H 50 6.720 6.720 7.520 -0.800 17968 5190 1 16 . 1 1 53 53 CYS N N 51 117.410 117.410 118.299 -0.889 17968 5191 1 16 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.343 -0.433 17968 5192 1 16 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.069 2.661 17968 5193 1 16 . 1 1 53 53 CYS CB C 51 28.730 28.730 29.479 -0.749 17968 5194 1 16 . 1 1 53 53 CYS H H 51 8.030 8.030 8.232 -0.202 17968 5195 1 16 . 1 1 54 54 ILE N N 52 125.110 125.110 122.888 2.222 17968 5196 1 16 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.218 -0.228 17968 5197 1 16 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.580 -1.649 17968 5198 1 16 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.615 -0.885 17968 5199 1 16 . 1 1 54 54 ILE H H 52 8.450 8.450 8.447 0.003 17968 5200 1 16 . 1 1 55 55 VAL N N 53 127.010 127.010 127.175 -0.165 17968 5201 1 16 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.158 0.192 17968 5202 1 16 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.513 -0.883 17968 5203 1 16 . 1 1 55 55 VAL CB C 53 34.230 34.230 31.451 2.779 17968 5204 1 16 . 1 1 55 55 VAL H H 53 8.120 8.120 8.200 -0.080 17968 5205 1 16 . 1 1 56 56 TYR N N 54 125.010 125.010 128.891 -3.881 17968 5206 1 16 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.050 0.330 17968 5207 1 16 . 1 1 56 56 TYR CA C 54 57.430 57.430 58.009 -0.579 17968 5208 1 16 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.061 1.969 17968 5209 1 16 . 1 1 56 56 TYR H H 54 8.710 8.710 8.629 0.081 17968 5210 1 16 . 1 1 57 57 ARG N N 55 123.810 123.810 125.624 -1.814 17968 5211 1 16 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.428 0.202 17968 5212 1 16 . 1 1 57 57 ARG CA C 55 55.330 55.330 54.554 0.776 17968 5213 1 16 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.265 2.565 17968 5214 1 16 . 1 1 57 57 ARG H H 55 8.860 8.860 8.912 -0.052 17968 5215 1 16 . 1 1 58 58 ASP N N 56 129.110 129.110 126.580 2.530 17968 5216 1 16 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.394 -0.094 17968 5217 1 16 . 1 1 58 58 ASP CA C 56 55.730 55.730 55.137 0.593 17968 5218 1 16 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.227 -0.097 17968 5219 1 16 . 1 1 58 58 ASP H H 56 9.630 9.630 9.155 0.475 17968 5220 1 16 . 1 1 59 59 GLY N N 57 104.510 104.510 102.686 1.824 17968 5221 1 16 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.116 0.514 17968 5222 1 16 . 1 1 59 59 GLY H H 57 8.710 8.710 8.606 0.104 17968 5223 1 16 . 1 1 60 60 ASN N N 58 122.110 122.110 120.689 1.421 17968 5224 1 16 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.151 0.229 17968 5225 1 16 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.775 -0.445 17968 5226 1 16 . 1 1 60 60 ASN CB C 58 40.430 40.430 39.157 1.273 17968 5227 1 16 . 1 1 60 60 ASN H H 58 8.130 8.130 7.863 0.267 17968 5228 1 16 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.326 0.444 17968 5229 1 16 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.594 -0.564 17968 5230 1 16 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.109 2.321 17968 5231 1 16 . 1 1 62 62 TYR N N 60 119.910 119.910 123.270 -3.360 17968 5232 1 16 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.715 -0.365 17968 5233 1 16 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.715 1.415 17968 5234 1 16 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.883 0.547 17968 5235 1 16 . 1 1 62 62 TYR H H 60 8.580 8.580 8.132 0.448 17968 5236 1 16 . 1 1 63 63 ALA N N 61 123.710 123.710 121.637 2.073 17968 5237 1 16 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.518 -0.138 17968 5238 1 16 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.839 -0.509 17968 5239 1 16 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.204 -0.974 17968 5240 1 16 . 1 1 63 63 ALA H H 61 7.980 7.980 8.984 -1.004 17968 5241 1 16 . 1 1 64 64 VAL N N 62 120.610 120.610 118.363 2.247 17968 5242 1 16 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.301 1.179 17968 5243 1 16 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.087 0.242 17968 5244 1 16 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.703 3.527 17968 5245 1 16 . 1 1 64 64 VAL H H 62 6.330 6.330 8.259 -1.929 17968 5246 1 16 . 1 1 65 65 CYS N N 63 130.310 130.310 124.077 6.233 17968 5247 1 16 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.606 -0.046 17968 5248 1 16 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.398 1.032 17968 5249 1 16 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.807 1.223 17968 5250 1 16 . 1 1 65 65 CYS H H 63 9.420 9.420 8.523 0.897 17968 5251 1 16 . 1 1 66 66 ASP N N 64 121.110 121.110 120.959 0.151 17968 5252 1 16 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.314 0.096 17968 5253 1 16 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.817 0.613 17968 5254 1 16 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.094 1.436 17968 5255 1 16 . 1 1 66 66 ASP H H 64 9.040 9.040 9.117 -0.077 17968 5256 1 16 . 1 1 67 67 LYS N N 65 121.910 121.910 118.622 3.288 17968 5257 1 16 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.268 -0.278 17968 5258 1 16 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.590 0.540 17968 5259 1 16 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.279 0.551 17968 5260 1 16 . 1 1 67 67 LYS H H 65 8.330 8.330 8.075 0.255 17968 5261 1 16 . 1 1 68 68 CYS N N 66 125.510 125.510 120.239 5.271 17968 5262 1 16 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.483 -0.373 17968 5263 1 16 . 1 1 68 68 CYS CA C 66 63.730 63.730 62.506 1.224 17968 5264 1 16 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.998 4.632 17968 5265 1 16 . 1 1 68 68 CYS H H 66 8.690 8.690 7.796 0.894 17968 5266 1 16 . 1 1 69 69 LEU N N 67 125.110 125.110 120.675 4.435 17968 5267 1 16 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.142 -0.112 17968 5268 1 16 . 1 1 69 69 LEU CA C 67 58.630 58.630 57.888 0.742 17968 5269 1 16 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.918 0.312 17968 5270 1 16 . 1 1 69 69 LEU H H 67 8.460 8.460 8.544 -0.084 17968 5271 1 16 . 1 1 70 70 LYS N N 68 119.210 119.210 117.409 1.801 17968 5272 1 16 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.196 -0.216 17968 5273 1 16 . 1 1 70 70 LYS CA C 68 59.030 59.030 57.640 1.390 17968 5274 1 16 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.592 -0.362 17968 5275 1 16 . 1 1 70 70 LYS H H 68 7.830 7.830 7.626 0.204 17968 5276 1 16 . 1 1 71 71 PHE N N 69 121.710 121.710 118.575 3.135 17968 5277 1 16 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.208 0.062 17968 5278 1 16 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.555 -0.425 17968 5279 1 16 . 1 1 71 71 PHE CB C 69 39.430 39.430 40.276 -0.846 17968 5280 1 16 . 1 1 71 71 PHE H H 69 7.810 7.810 7.518 0.292 17968 5281 1 17 . 1 1 4 4 PHE N N 2 122.310 122.310 122.622 -0.312 17968 5282 1 17 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.904 -0.284 17968 5283 1 17 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.619 -1.289 17968 5284 1 17 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.147 -1.717 17968 5285 1 17 . 1 1 4 4 PHE H H 2 8.370 8.370 8.846 -0.476 17968 5286 1 17 . 1 1 5 5 GLN N N 3 123.510 123.510 122.641 0.869 17968 5287 1 17 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.595 -0.405 17968 5288 1 17 . 1 1 5 5 GLN CA C 3 56.030 56.030 53.792 2.238 17968 5289 1 17 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.363 -0.433 17968 5290 1 17 . 1 1 5 5 GLN H H 3 8.250 8.250 8.122 0.128 17968 5291 1 17 . 1 1 6 6 ASP N N 4 125.010 125.010 120.484 4.526 17968 5292 1 17 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.486 0.354 17968 5293 1 17 . 1 1 6 6 ASP CA C 4 52.030 52.030 54.007 -1.977 17968 5294 1 17 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.359 0.371 17968 5295 1 17 . 1 1 6 6 ASP H H 4 8.410 8.410 8.448 -0.038 17968 5296 1 17 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.559 -0.439 17968 5297 1 17 . 1 1 7 7 PRO CA C 5 64.130 64.130 62.988 1.142 17968 5298 1 17 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.216 0.114 17968 5299 1 17 . 1 1 8 8 GLN N N 6 119.710 119.710 119.750 -0.040 17968 5300 1 17 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.223 -0.073 17968 5301 1 17 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.385 0.245 17968 5302 1 17 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.542 0.788 17968 5303 1 17 . 1 1 8 8 GLN H H 6 8.430 8.430 7.587 0.843 17968 5304 1 17 . 1 1 9 9 GLU N N 7 122.110 122.110 124.044 -1.934 17968 5305 1 17 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.316 -0.136 17968 5306 1 17 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.514 0.616 17968 5307 1 17 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.791 -0.261 17968 5308 1 17 . 1 1 9 9 GLU H H 7 7.940 7.940 9.055 -1.115 17968 5309 1 17 . 1 1 10 10 ARG N N 8 123.410 123.410 116.635 6.775 17968 5310 1 17 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.091 0.319 17968 5311 1 17 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.681 -1.551 17968 5312 1 17 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.618 1.712 17968 5313 1 17 . 1 1 10 10 ARG H H 8 7.670 7.670 8.811 -1.141 17968 5314 1 17 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.624 -0.284 17968 5315 1 17 . 1 1 11 11 PRO CA C 9 63.530 63.530 61.937 1.593 17968 5316 1 17 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.615 0.015 17968 5317 1 17 . 1 1 12 12 ARG N N 10 123.810 123.810 119.783 4.027 17968 5318 1 17 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.660 -0.000 17968 5319 1 17 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.351 0.479 17968 5320 1 17 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.645 1.885 17968 5321 1 17 . 1 1 12 12 ARG H H 10 8.700 8.700 8.759 -0.059 17968 5322 1 17 . 1 1 13 13 LYS N N 11 118.310 118.310 118.531 -0.221 17968 5323 1 17 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.692 0.358 17968 5324 1 17 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.968 -0.738 17968 5325 1 17 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.235 1.395 17968 5326 1 17 . 1 1 13 13 LYS H H 11 7.810 7.810 7.564 0.246 17968 5327 1 17 . 1 1 14 14 LEU N N 12 124.810 124.810 127.758 -2.948 17968 5328 1 17 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.234 -0.084 17968 5329 1 17 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.828 -0.198 17968 5330 1 17 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.898 0.632 17968 5331 1 17 . 1 1 14 14 LEU H H 12 10.210 10.210 9.233 0.977 17968 5332 1 17 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.209 -0.039 17968 5333 1 17 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.819 1.511 17968 5334 1 17 . 1 1 15 15 PRO CB C 13 30.530 30.530 31.179 -0.649 17968 5335 1 17 . 1 1 16 16 GLN N N 14 117.710 117.710 117.030 0.680 17968 5336 1 17 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.209 -0.049 17968 5337 1 17 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.792 0.338 17968 5338 1 17 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.544 0.086 17968 5339 1 17 . 1 1 16 16 GLN H H 14 7.100 7.100 8.287 -1.187 17968 5340 1 17 . 1 1 17 17 LEU N N 15 124.610 124.610 123.099 1.511 17968 5341 1 17 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.103 -0.103 17968 5342 1 17 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.837 0.793 17968 5343 1 17 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.733 0.296 17968 5344 1 17 . 1 1 17 17 LEU H H 15 8.020 8.020 8.198 -0.178 17968 5345 1 17 . 1 1 18 18 CYS N N 16 117.210 117.210 116.115 1.095 17968 5346 1 17 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.072 -0.342 17968 5347 1 17 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.578 1.252 17968 5348 1 17 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.055 0.175 17968 5349 1 17 . 1 1 18 18 CYS H H 16 8.410 8.410 8.284 0.126 17968 5350 1 17 . 1 1 19 19 THR N N 17 117.710 117.710 115.984 1.726 17968 5351 1 17 . 1 1 19 19 THR HA H 17 3.990 3.990 4.088 -0.098 17968 5352 1 17 . 1 1 19 19 THR CA C 17 66.830 66.830 66.735 0.095 17968 5353 1 17 . 1 1 19 19 THR CB C 17 68.830 68.830 68.464 0.366 17968 5354 1 17 . 1 1 19 19 THR H H 17 7.670 7.670 7.642 0.028 17968 5355 1 17 . 1 1 20 20 GLU N N 18 125.410 125.410 120.405 5.005 17968 5356 1 17 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.155 -0.095 17968 5357 1 17 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.636 1.194 17968 5358 1 17 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.638 -0.008 17968 5359 1 17 . 1 1 20 20 GLU H H 18 7.980 7.980 7.619 0.361 17968 5360 1 17 . 1 1 21 21 LEU N N 19 118.810 118.810 118.666 0.144 17968 5361 1 17 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.369 -0.079 17968 5362 1 17 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.845 -0.915 17968 5363 1 17 . 1 1 21 21 LEU CB C 19 42.230 42.230 43.068 -0.838 17968 5364 1 17 . 1 1 21 21 LEU H H 19 7.990 7.990 8.010 -0.020 17968 5365 1 17 . 1 1 22 22 GLN N N 20 118.310 118.310 116.664 1.646 17968 5366 1 17 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.011 -0.071 17968 5367 1 17 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.315 -0.685 17968 5368 1 17 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.170 -0.040 17968 5369 1 17 . 1 1 22 22 GLN H H 20 7.850 7.850 7.736 0.114 17968 5370 1 17 . 1 1 23 23 THR N N 21 115.810 115.810 112.794 3.016 17968 5371 1 17 . 1 1 23 23 THR HA H 21 4.920 4.920 4.832 0.088 17968 5372 1 17 . 1 1 23 23 THR CA C 21 58.730 58.730 60.309 -1.579 17968 5373 1 17 . 1 1 23 23 THR CB C 21 70.330 70.330 70.789 -0.459 17968 5374 1 17 . 1 1 23 23 THR H H 21 8.210 8.210 8.541 -0.331 17968 5375 1 17 . 1 1 24 24 THR N N 22 112.810 112.810 112.204 0.606 17968 5376 1 17 . 1 1 24 24 THR HA H 22 4.860 4.860 4.885 -0.025 17968 5377 1 17 . 1 1 24 24 THR CA C 22 59.830 59.830 59.641 0.189 17968 5378 1 17 . 1 1 24 24 THR CB C 22 74.030 74.030 71.047 2.983 17968 5379 1 17 . 1 1 24 24 THR H H 22 8.620 8.620 8.146 0.474 17968 5380 1 17 . 1 1 25 25 ILE N N 23 124.310 124.310 117.734 6.576 17968 5381 1 17 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.841 -0.181 17968 5382 1 17 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.749 -0.019 17968 5383 1 17 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.670 0.560 17968 5384 1 17 . 1 1 25 25 ILE H H 23 9.020 9.020 8.551 0.469 17968 5385 1 17 . 1 1 26 26 HIS N N 24 119.210 119.210 115.528 3.682 17968 5386 1 17 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.626 -0.246 17968 5387 1 17 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.331 -0.901 17968 5388 1 17 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.660 0.070 17968 5389 1 17 . 1 1 26 26 HIS H H 24 6.870 6.870 7.370 -0.500 17968 5390 1 17 . 1 1 27 27 ASP N N 25 116.510 116.510 119.132 -2.622 17968 5391 1 17 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.842 -0.092 17968 5392 1 17 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.168 0.262 17968 5393 1 17 . 1 1 27 27 ASP CB C 25 44.330 44.330 41.226 3.104 17968 5394 1 17 . 1 1 27 27 ASP H H 25 7.220 7.220 7.677 -0.457 17968 5395 1 17 . 1 1 28 28 ILE N N 26 123.310 123.310 119.954 3.356 17968 5396 1 17 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.475 -0.575 17968 5397 1 17 . 1 1 28 28 ILE CA C 26 63.130 63.130 60.350 2.780 17968 5398 1 17 . 1 1 28 28 ILE CB C 26 37.930 37.930 40.505 -2.575 17968 5399 1 17 . 1 1 28 28 ILE H H 26 7.690 7.690 8.122 -0.432 17968 5400 1 17 . 1 1 29 29 ILE N N 27 130.910 130.910 128.921 1.989 17968 5401 1 17 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.315 0.045 17968 5402 1 17 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.184 -0.354 17968 5403 1 17 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.272 0.458 17968 5404 1 17 . 1 1 29 29 ILE H H 27 8.230 8.230 8.280 -0.050 17968 5405 1 17 . 1 1 30 30 LEU N N 28 129.310 129.310 128.336 0.974 17968 5406 1 17 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.533 0.117 17968 5407 1 17 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.422 -0.892 17968 5408 1 17 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.740 2.590 17968 5409 1 17 . 1 1 30 30 LEU H H 28 8.450 8.450 8.540 -0.090 17968 5410 1 17 . 1 1 31 31 GLU N N 29 121.810 121.810 118.674 3.136 17968 5411 1 17 . 1 1 31 31 GLU HA H 29 4.660 4.660 5.255 -0.595 17968 5412 1 17 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.463 0.267 17968 5413 1 17 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.026 0.904 17968 5414 1 17 . 1 1 31 31 GLU H H 29 8.820 8.820 8.500 0.320 17968 5415 1 17 . 1 1 32 32 CYS N N 30 125.510 125.510 121.613 3.897 17968 5416 1 17 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.103 -1.073 17968 5417 1 17 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.011 -0.781 17968 5418 1 17 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.248 3.582 17968 5419 1 17 . 1 1 32 32 CYS H H 30 8.240 8.240 8.725 -0.484 17968 5420 1 17 . 1 1 33 33 VAL N N 31 132.310 132.310 126.473 5.837 17968 5421 1 17 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.057 0.023 17968 5422 1 17 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.745 -0.415 17968 5423 1 17 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.752 -0.122 17968 5424 1 17 . 1 1 33 33 VAL H H 31 8.880 8.880 8.242 0.638 17968 5425 1 17 . 1 1 34 34 TYR N N 32 124.210 124.210 115.927 8.283 17968 5426 1 17 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.534 -0.084 17968 5427 1 17 . 1 1 34 34 TYR CA C 32 61.030 61.030 59.556 1.474 17968 5428 1 17 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.400 0.630 17968 5429 1 17 . 1 1 34 34 TYR H H 32 8.620 8.620 7.293 1.327 17968 5430 1 17 . 1 1 35 35 CYS N N 33 119.810 119.810 116.284 3.526 17968 5431 1 17 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.379 0.421 17968 5432 1 17 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.312 0.018 17968 5433 1 17 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.679 4.551 17968 5434 1 17 . 1 1 35 35 CYS H H 33 8.090 8.090 7.830 0.260 17968 5435 1 17 . 1 1 36 36 LYS N N 34 119.810 119.810 115.732 4.078 17968 5436 1 17 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.131 0.029 17968 5437 1 17 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.151 0.680 17968 5438 1 17 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.550 -1.320 17968 5439 1 17 . 1 1 36 36 LYS H H 34 7.870 7.870 8.157 -0.287 17968 5440 1 17 . 1 1 37 37 GLN N N 35 120.610 120.610 116.402 4.208 17968 5441 1 17 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.465 -0.095 17968 5442 1 17 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.046 0.384 17968 5443 1 17 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.736 -0.006 17968 5444 1 17 . 1 1 37 37 GLN H H 35 8.250 8.250 7.990 0.260 17968 5445 1 17 . 1 1 38 38 GLN N N 36 123.610 123.610 120.864 2.746 17968 5446 1 17 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.488 -0.128 17968 5447 1 17 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.066 0.764 17968 5448 1 17 . 1 1 38 38 GLN CB C 36 29.430 29.430 29.041 0.389 17968 5449 1 17 . 1 1 38 38 GLN H H 36 8.630 8.630 8.489 0.141 17968 5450 1 17 . 1 1 39 39 LEU N N 37 131.410 131.410 126.805 4.605 17968 5451 1 17 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.347 -0.247 17968 5452 1 17 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.894 2.336 17968 5453 1 17 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.700 -0.570 17968 5454 1 17 . 1 1 39 39 LEU H H 37 8.830 8.830 8.741 0.089 17968 5455 1 17 . 1 1 40 40 LEU N N 38 126.410 126.410 121.715 4.695 17968 5456 1 17 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.497 -0.207 17968 5457 1 17 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.741 0.589 17968 5458 1 17 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.308 -0.378 17968 5459 1 17 . 1 1 40 40 LEU H H 38 9.780 9.780 8.366 1.414 17968 5460 1 17 . 1 1 41 41 ARG N N 39 126.610 126.610 120.777 5.833 17968 5461 1 17 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.771 -0.321 17968 5462 1 17 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.455 -1.524 17968 5463 1 17 . 1 1 41 41 ARG CB C 39 27.030 27.030 30.000 -2.970 17968 5464 1 17 . 1 1 41 41 ARG H H 39 8.880 8.880 8.662 0.218 17968 5465 1 17 . 1 1 42 42 ARG N N 40 116.410 116.410 118.683 -2.273 17968 5466 1 17 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.134 -0.134 17968 5467 1 17 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.399 -0.869 17968 5468 1 17 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.806 3.024 17968 5469 1 17 . 1 1 42 42 ARG H H 40 8.590 8.590 8.509 0.081 17968 5470 1 17 . 1 1 43 43 GLU N N 41 117.710 117.710 118.706 -0.996 17968 5471 1 17 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.250 0.010 17968 5472 1 17 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.602 0.328 17968 5473 1 17 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.981 1.549 17968 5474 1 17 . 1 1 43 43 GLU H H 41 6.800 6.800 7.804 -1.004 17968 5475 1 17 . 1 1 44 44 VAL N N 42 124.710 124.710 121.040 3.670 17968 5476 1 17 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.553 -0.373 17968 5477 1 17 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.478 1.052 17968 5478 1 17 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.435 -0.105 17968 5479 1 17 . 1 1 44 44 VAL H H 42 7.760 7.760 7.889 -0.129 17968 5480 1 17 . 1 1 45 45 TYR N N 43 118.310 118.310 117.967 0.343 17968 5481 1 17 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.203 -0.013 17968 5482 1 17 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.788 -0.659 17968 5483 1 17 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.636 1.093 17968 5484 1 17 . 1 1 45 45 TYR H H 43 7.600 7.600 7.494 0.106 17968 5485 1 17 . 1 1 46 46 ASP N N 44 120.910 120.910 120.271 0.639 17968 5486 1 17 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.453 0.257 17968 5487 1 17 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.505 0.525 17968 5488 1 17 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.861 -0.031 17968 5489 1 17 . 1 1 46 46 ASP H H 44 8.660 8.660 7.674 0.986 17968 5490 1 17 . 1 1 47 47 PHE N N 45 125.310 125.310 120.162 5.148 17968 5491 1 17 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.209 -0.279 17968 5492 1 17 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.752 0.878 17968 5493 1 17 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.139 -0.109 17968 5494 1 17 . 1 1 47 47 PHE H H 45 8.250 8.250 8.065 0.185 17968 5495 1 17 . 1 1 48 48 ALA N N 46 119.710 119.710 119.773 -0.063 17968 5496 1 17 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.291 0.209 17968 5497 1 17 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.445 0.685 17968 5498 1 17 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.577 0.153 17968 5499 1 17 . 1 1 48 48 ALA H H 46 7.790 7.790 7.354 0.436 17968 5500 1 17 . 1 1 49 49 PHE N N 47 123.210 123.210 118.963 4.247 17968 5501 1 17 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.326 0.224 17968 5502 1 17 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.365 0.165 17968 5503 1 17 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.749 -0.719 17968 5504 1 17 . 1 1 49 49 PHE H H 47 9.040 9.040 7.925 1.115 17968 5505 1 17 . 1 1 50 50 ARG N N 48 119.810 119.810 118.175 1.635 17968 5506 1 17 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.384 -0.334 17968 5507 1 17 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.105 3.025 17968 5508 1 17 . 1 1 50 50 ARG CB C 48 31.030 31.030 32.230 -1.200 17968 5509 1 17 . 1 1 50 50 ARG H H 48 8.100 8.100 7.557 0.543 17968 5510 1 17 . 1 1 51 51 ASP N N 49 120.910 120.910 121.360 -0.450 17968 5511 1 17 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.644 -0.194 17968 5512 1 17 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.223 0.307 17968 5513 1 17 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.931 -0.001 17968 5514 1 17 . 1 1 51 51 ASP H H 49 8.010 8.010 8.500 -0.490 17968 5515 1 17 . 1 1 52 52 LEU N N 50 118.510 118.510 124.018 -5.508 17968 5516 1 17 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.472 -0.302 17968 5517 1 17 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.910 0.320 17968 5518 1 17 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.440 -3.209 17968 5519 1 17 . 1 1 52 52 LEU H H 50 6.720 6.720 7.629 -0.909 17968 5520 1 17 . 1 1 53 53 CYS N N 51 117.410 117.410 118.604 -1.194 17968 5521 1 17 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.015 -0.105 17968 5522 1 17 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.169 1.561 17968 5523 1 17 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.845 -2.115 17968 5524 1 17 . 1 1 53 53 CYS H H 51 8.030 8.030 8.278 -0.248 17968 5525 1 17 . 1 1 54 54 ILE N N 52 125.110 125.110 124.330 0.780 17968 5526 1 17 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.248 -0.258 17968 5527 1 17 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.811 -1.881 17968 5528 1 17 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.630 -0.900 17968 5529 1 17 . 1 1 54 54 ILE H H 52 8.450 8.450 8.470 -0.020 17968 5530 1 17 . 1 1 55 55 VAL N N 53 127.010 127.010 123.234 3.776 17968 5531 1 17 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.371 -0.021 17968 5532 1 17 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.117 -0.487 17968 5533 1 17 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.821 1.409 17968 5534 1 17 . 1 1 55 55 VAL H H 53 8.120 8.120 8.016 0.104 17968 5535 1 17 . 1 1 56 56 TYR N N 54 125.010 125.010 125.165 -0.155 17968 5536 1 17 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.259 0.121 17968 5537 1 17 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.017 0.413 17968 5538 1 17 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.772 1.258 17968 5539 1 17 . 1 1 56 56 TYR H H 54 8.710 8.710 8.584 0.126 17968 5540 1 17 . 1 1 57 57 ARG N N 55 123.810 123.810 125.590 -1.780 17968 5541 1 17 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.468 0.162 17968 5542 1 17 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.313 0.017 17968 5543 1 17 . 1 1 57 57 ARG CB C 55 32.830 32.830 31.126 1.704 17968 5544 1 17 . 1 1 57 57 ARG H H 55 8.860 8.860 8.604 0.256 17968 5545 1 17 . 1 1 58 58 ASP N N 56 129.110 129.110 125.084 4.026 17968 5546 1 17 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.341 -0.041 17968 5547 1 17 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.625 -0.895 17968 5548 1 17 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.624 -0.494 17968 5549 1 17 . 1 1 58 58 ASP H H 56 9.630 9.630 9.157 0.473 17968 5550 1 17 . 1 1 59 59 GLY N N 57 104.510 104.510 106.783 -2.273 17968 5551 1 17 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.571 0.059 17968 5552 1 17 . 1 1 59 59 GLY H H 57 8.710 8.710 8.609 0.101 17968 5553 1 17 . 1 1 60 60 ASN N N 58 122.110 122.110 118.826 3.284 17968 5554 1 17 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.250 0.130 17968 5555 1 17 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.371 -0.041 17968 5556 1 17 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.215 -0.785 17968 5557 1 17 . 1 1 60 60 ASN H H 58 8.130 8.130 7.946 0.184 17968 5558 1 17 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.424 0.346 17968 5559 1 17 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.496 -0.466 17968 5560 1 17 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.053 2.377 17968 5561 1 17 . 1 1 62 62 TYR N N 60 119.910 119.910 123.870 -3.960 17968 5562 1 17 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.895 -0.545 17968 5563 1 17 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.336 1.794 17968 5564 1 17 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.290 1.140 17968 5565 1 17 . 1 1 62 62 TYR H H 60 8.580 8.580 7.879 0.701 17968 5566 1 17 . 1 1 63 63 ALA N N 61 123.710 123.710 122.006 1.704 17968 5567 1 17 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.568 -0.188 17968 5568 1 17 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.814 -0.484 17968 5569 1 17 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.215 -0.986 17968 5570 1 17 . 1 1 63 63 ALA H H 61 7.980 7.980 8.765 -0.785 17968 5571 1 17 . 1 1 64 64 VAL N N 62 120.610 120.610 119.764 0.846 17968 5572 1 17 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.272 1.208 17968 5573 1 17 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.806 -0.476 17968 5574 1 17 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.140 4.090 17968 5575 1 17 . 1 1 64 64 VAL H H 62 6.330 6.330 8.496 -2.166 17968 5576 1 17 . 1 1 65 65 CYS N N 63 130.310 130.310 124.239 6.071 17968 5577 1 17 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.673 -0.113 17968 5578 1 17 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.271 1.159 17968 5579 1 17 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.819 1.211 17968 5580 1 17 . 1 1 65 65 CYS H H 63 9.420 9.420 8.733 0.687 17968 5581 1 17 . 1 1 66 66 ASP N N 64 121.110 121.110 119.968 1.142 17968 5582 1 17 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.374 0.036 17968 5583 1 17 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.474 0.956 17968 5584 1 17 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.944 1.586 17968 5585 1 17 . 1 1 66 66 ASP H H 64 9.040 9.040 9.048 -0.008 17968 5586 1 17 . 1 1 67 67 LYS N N 65 121.910 121.910 118.963 2.947 17968 5587 1 17 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.336 -0.346 17968 5588 1 17 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.783 1.347 17968 5589 1 17 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.922 -0.092 17968 5590 1 17 . 1 1 67 67 LYS H H 65 8.330 8.330 7.717 0.613 17968 5591 1 17 . 1 1 68 68 CYS N N 66 125.510 125.510 119.865 5.645 17968 5592 1 17 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.798 -0.688 17968 5593 1 17 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.776 1.954 17968 5594 1 17 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.038 4.592 17968 5595 1 17 . 1 1 68 68 CYS H H 66 8.690 8.690 7.914 0.776 17968 5596 1 17 . 1 1 69 69 LEU N N 67 125.110 125.110 121.687 3.423 17968 5597 1 17 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.015 0.015 17968 5598 1 17 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.289 0.341 17968 5599 1 17 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.066 0.164 17968 5600 1 17 . 1 1 69 69 LEU H H 67 8.460 8.460 8.536 -0.076 17968 5601 1 17 . 1 1 70 70 LYS N N 68 119.210 119.210 117.275 1.935 17968 5602 1 17 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.153 -0.173 17968 5603 1 17 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.264 0.766 17968 5604 1 17 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.238 -0.008 17968 5605 1 17 . 1 1 70 70 LYS H H 68 7.830 7.830 7.811 0.019 17968 5606 1 17 . 1 1 71 71 PHE N N 69 121.710 121.710 118.921 2.789 17968 5607 1 17 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.406 -0.136 17968 5608 1 17 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.475 -0.345 17968 5609 1 17 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.767 -0.337 17968 5610 1 17 . 1 1 71 71 PHE H H 69 7.810 7.810 7.339 0.471 17968 5611 1 18 . 1 1 4 4 PHE N N 2 122.310 122.310 123.794 -1.484 17968 5612 1 18 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.967 -0.347 17968 5613 1 18 . 1 1 4 4 PHE CA C 2 57.330 57.330 58.183 -0.853 17968 5614 1 18 . 1 1 4 4 PHE CB C 2 39.430 39.430 42.214 -2.784 17968 5615 1 18 . 1 1 4 4 PHE H H 2 8.370 8.370 8.866 -0.496 17968 5616 1 18 . 1 1 5 5 GLN N N 3 123.510 123.510 122.783 0.727 17968 5617 1 18 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.589 -0.399 17968 5618 1 18 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.452 1.578 17968 5619 1 18 . 1 1 5 5 GLN CB C 3 29.930 29.930 31.179 -1.249 17968 5620 1 18 . 1 1 5 5 GLN H H 3 8.250 8.250 8.146 0.104 17968 5621 1 18 . 1 1 6 6 ASP N N 4 125.010 125.010 120.118 4.892 17968 5622 1 18 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.492 0.348 17968 5623 1 18 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.378 -1.348 17968 5624 1 18 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.526 0.204 17968 5625 1 18 . 1 1 6 6 ASP H H 4 8.410 8.410 8.371 0.039 17968 5626 1 18 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.328 -0.208 17968 5627 1 18 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.557 0.573 17968 5628 1 18 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.280 0.050 17968 5629 1 18 . 1 1 8 8 GLN N N 6 119.710 119.710 119.614 0.096 17968 5630 1 18 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.397 -0.247 17968 5631 1 18 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.896 0.734 17968 5632 1 18 . 1 1 8 8 GLN CB C 6 29.330 29.330 28.152 1.177 17968 5633 1 18 . 1 1 8 8 GLN H H 6 8.430 8.430 7.550 0.880 17968 5634 1 18 . 1 1 9 9 GLU N N 7 122.110 122.110 124.184 -2.074 17968 5635 1 18 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.211 -0.031 17968 5636 1 18 . 1 1 9 9 GLU CA C 7 56.130 56.130 55.758 0.372 17968 5637 1 18 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.507 0.023 17968 5638 1 18 . 1 1 9 9 GLU H H 7 7.940 7.940 8.507 -0.567 17968 5639 1 18 . 1 1 10 10 ARG N N 8 123.410 123.410 117.075 6.335 17968 5640 1 18 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.147 0.263 17968 5641 1 18 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.880 -1.750 17968 5642 1 18 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.196 1.134 17968 5643 1 18 . 1 1 10 10 ARG H H 8 7.670 7.670 8.928 -1.258 17968 5644 1 18 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.522 -0.182 17968 5645 1 18 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.106 1.424 17968 5646 1 18 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.521 0.109 17968 5647 1 18 . 1 1 12 12 ARG N N 10 123.810 123.810 119.992 3.818 17968 5648 1 18 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.621 0.039 17968 5649 1 18 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.713 1.117 17968 5650 1 18 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.259 2.271 17968 5651 1 18 . 1 1 12 12 ARG H H 10 8.700 8.700 8.610 0.090 17968 5652 1 18 . 1 1 13 13 LYS N N 11 118.310 118.310 118.056 0.254 17968 5653 1 18 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.717 0.333 17968 5654 1 18 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.781 -0.551 17968 5655 1 18 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.185 1.445 17968 5656 1 18 . 1 1 13 13 LYS H H 11 7.810 7.810 7.665 0.145 17968 5657 1 18 . 1 1 14 14 LEU N N 12 124.810 124.810 128.601 -3.791 17968 5658 1 18 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.230 -0.080 17968 5659 1 18 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.725 -0.095 17968 5660 1 18 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.841 0.689 17968 5661 1 18 . 1 1 14 14 LEU H H 12 10.210 10.210 9.217 0.993 17968 5662 1 18 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.140 0.030 17968 5663 1 18 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.760 1.571 17968 5664 1 18 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.931 -0.401 17968 5665 1 18 . 1 1 16 16 GLN N N 14 117.710 117.710 117.456 0.254 17968 5666 1 18 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.209 -0.049 17968 5667 1 18 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.951 1.179 17968 5668 1 18 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.938 -0.308 17968 5669 1 18 . 1 1 16 16 GLN H H 14 7.100 7.100 7.531 -0.431 17968 5670 1 18 . 1 1 17 17 LEU N N 15 124.610 124.610 122.694 1.916 17968 5671 1 18 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.077 -0.077 17968 5672 1 18 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.938 0.693 17968 5673 1 18 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.764 0.266 17968 5674 1 18 . 1 1 17 17 LEU H H 15 8.020 8.020 8.520 -0.500 17968 5675 1 18 . 1 1 18 18 CYS N N 16 117.210 117.210 116.566 0.644 17968 5676 1 18 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.038 -0.308 17968 5677 1 18 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.773 1.057 17968 5678 1 18 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.207 0.023 17968 5679 1 18 . 1 1 18 18 CYS H H 16 8.410 8.410 8.253 0.157 17968 5680 1 18 . 1 1 19 19 THR N N 17 117.710 117.710 116.212 1.498 17968 5681 1 18 . 1 1 19 19 THR HA H 17 3.990 3.990 4.059 -0.069 17968 5682 1 18 . 1 1 19 19 THR CA C 17 66.830 66.830 66.761 0.069 17968 5683 1 18 . 1 1 19 19 THR CB C 17 68.830 68.830 68.557 0.273 17968 5684 1 18 . 1 1 19 19 THR H H 17 7.670 7.670 7.435 0.235 17968 5685 1 18 . 1 1 20 20 GLU N N 18 125.410 125.410 121.926 3.484 17968 5686 1 18 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.237 -0.177 17968 5687 1 18 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.315 0.516 17968 5688 1 18 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.577 0.053 17968 5689 1 18 . 1 1 20 20 GLU H H 18 7.980 7.980 7.693 0.287 17968 5690 1 18 . 1 1 21 21 LEU N N 19 118.810 118.810 117.159 1.651 17968 5691 1 18 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.525 -0.235 17968 5692 1 18 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.874 0.056 17968 5693 1 18 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.198 0.032 17968 5694 1 18 . 1 1 21 21 LEU H H 19 7.990 7.990 7.622 0.368 17968 5695 1 18 . 1 1 22 22 GLN N N 20 118.310 118.310 117.215 1.095 17968 5696 1 18 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.072 -0.132 17968 5697 1 18 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.204 -0.574 17968 5698 1 18 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.114 0.016 17968 5699 1 18 . 1 1 22 22 GLN H H 20 7.850 7.850 7.764 0.086 17968 5700 1 18 . 1 1 23 23 THR N N 21 115.810 115.810 112.698 3.112 17968 5701 1 18 . 1 1 23 23 THR HA H 21 4.920 4.920 4.660 0.260 17968 5702 1 18 . 1 1 23 23 THR CA C 21 58.730 58.730 60.293 -1.563 17968 5703 1 18 . 1 1 23 23 THR CB C 21 70.330 70.330 70.420 -0.090 17968 5704 1 18 . 1 1 23 23 THR H H 21 8.210 8.210 8.480 -0.270 17968 5705 1 18 . 1 1 24 24 THR N N 22 112.810 112.810 111.541 1.269 17968 5706 1 18 . 1 1 24 24 THR HA H 22 4.860 4.860 4.706 0.154 17968 5707 1 18 . 1 1 24 24 THR CA C 22 59.830 59.830 59.638 0.192 17968 5708 1 18 . 1 1 24 24 THR CB C 22 74.030 74.030 71.333 2.697 17968 5709 1 18 . 1 1 24 24 THR H H 22 8.620 8.620 7.882 0.738 17968 5710 1 18 . 1 1 25 25 ILE N N 23 124.310 124.310 117.545 6.765 17968 5711 1 18 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.793 -0.133 17968 5712 1 18 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.320 -0.590 17968 5713 1 18 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.929 0.301 17968 5714 1 18 . 1 1 25 25 ILE H H 23 9.020 9.020 8.356 0.664 17968 5715 1 18 . 1 1 26 26 HIS N N 24 119.210 119.210 113.423 5.787 17968 5716 1 18 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.698 -0.318 17968 5717 1 18 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.846 -0.416 17968 5718 1 18 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.888 0.842 17968 5719 1 18 . 1 1 26 26 HIS H H 24 6.870 6.870 7.354 -0.484 17968 5720 1 18 . 1 1 27 27 ASP N N 25 116.510 116.510 119.386 -2.876 17968 5721 1 18 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.665 0.085 17968 5722 1 18 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.448 -0.018 17968 5723 1 18 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.754 1.576 17968 5724 1 18 . 1 1 27 27 ASP H H 25 7.220 7.220 7.651 -0.431 17968 5725 1 18 . 1 1 28 28 ILE N N 26 123.310 123.310 122.143 1.167 17968 5726 1 18 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.864 0.036 17968 5727 1 18 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.565 0.565 17968 5728 1 18 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.563 -0.633 17968 5729 1 18 . 1 1 28 28 ILE H H 26 7.690 7.690 7.892 -0.202 17968 5730 1 18 . 1 1 29 29 ILE N N 27 130.910 130.910 128.594 2.316 17968 5731 1 18 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.117 0.243 17968 5732 1 18 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.667 -0.837 17968 5733 1 18 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.025 0.705 17968 5734 1 18 . 1 1 29 29 ILE H H 27 8.230 8.230 8.201 0.029 17968 5735 1 18 . 1 1 30 30 LEU N N 28 129.310 129.310 128.394 0.916 17968 5736 1 18 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.451 0.199 17968 5737 1 18 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.739 -1.209 17968 5738 1 18 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.724 2.606 17968 5739 1 18 . 1 1 30 30 LEU H H 28 8.450 8.450 8.559 -0.109 17968 5740 1 18 . 1 1 31 31 GLU N N 29 121.810 121.810 120.008 1.802 17968 5741 1 18 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.965 -0.305 17968 5742 1 18 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.128 0.602 17968 5743 1 18 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.745 0.185 17968 5744 1 18 . 1 1 31 31 GLU H H 29 8.820 8.820 8.140 0.680 17968 5745 1 18 . 1 1 32 32 CYS N N 30 125.510 125.510 121.284 4.226 17968 5746 1 18 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.779 -0.749 17968 5747 1 18 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.643 -1.413 17968 5748 1 18 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.704 4.126 17968 5749 1 18 . 1 1 32 32 CYS H H 30 8.240 8.240 8.759 -0.519 17968 5750 1 18 . 1 1 33 33 VAL N N 31 132.310 132.310 127.843 4.467 17968 5751 1 18 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.295 -0.215 17968 5752 1 18 . 1 1 33 33 VAL CA C 31 64.330 64.330 65.461 -1.131 17968 5753 1 18 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.855 -0.225 17968 5754 1 18 . 1 1 33 33 VAL H H 31 8.880 8.880 8.470 0.410 17968 5755 1 18 . 1 1 34 34 TYR N N 32 124.210 124.210 117.614 6.596 17968 5756 1 18 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.506 -0.056 17968 5757 1 18 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.679 0.351 17968 5758 1 18 . 1 1 34 34 TYR CB C 32 40.030 40.030 38.770 1.260 17968 5759 1 18 . 1 1 34 34 TYR H H 32 8.620 8.620 7.475 1.145 17968 5760 1 18 . 1 1 35 35 CYS N N 33 119.810 119.810 115.814 3.996 17968 5761 1 18 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.370 0.430 17968 5762 1 18 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.625 -0.295 17968 5763 1 18 . 1 1 35 35 CYS CB C 33 32.230 32.230 26.995 5.235 17968 5764 1 18 . 1 1 35 35 CYS H H 33 8.090 8.090 7.872 0.218 17968 5765 1 18 . 1 1 36 36 LYS N N 34 119.810 119.810 115.998 3.812 17968 5766 1 18 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.198 -0.038 17968 5767 1 18 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.096 0.735 17968 5768 1 18 . 1 1 36 36 LYS CB C 34 29.230 29.230 31.005 -1.775 17968 5769 1 18 . 1 1 36 36 LYS H H 34 7.870 7.870 7.801 0.069 17968 5770 1 18 . 1 1 37 37 GLN N N 35 120.610 120.610 117.333 3.277 17968 5771 1 18 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.407 -0.037 17968 5772 1 18 . 1 1 37 37 GLN CA C 35 55.430 55.430 55.173 0.257 17968 5773 1 18 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.141 0.589 17968 5774 1 18 . 1 1 37 37 GLN H H 35 8.250 8.250 8.060 0.190 17968 5775 1 18 . 1 1 38 38 GLN N N 36 123.610 123.610 123.191 0.419 17968 5776 1 18 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.238 0.122 17968 5777 1 18 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.383 0.447 17968 5778 1 18 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.858 0.572 17968 5779 1 18 . 1 1 38 38 GLN H H 36 8.630 8.630 8.612 0.018 17968 5780 1 18 . 1 1 39 39 LEU N N 37 131.410 131.410 126.744 4.666 17968 5781 1 18 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.368 -0.268 17968 5782 1 18 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.225 3.005 17968 5783 1 18 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.450 -0.320 17968 5784 1 18 . 1 1 39 39 LEU H H 37 8.830 8.830 8.675 0.155 17968 5785 1 18 . 1 1 40 40 LEU N N 38 126.410 126.410 123.270 3.140 17968 5786 1 18 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.200 0.090 17968 5787 1 18 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.892 -0.562 17968 5788 1 18 . 1 1 40 40 LEU CB C 38 42.930 42.930 42.171 0.759 17968 5789 1 18 . 1 1 40 40 LEU H H 38 9.780 9.780 8.557 1.223 17968 5790 1 18 . 1 1 41 41 ARG N N 39 126.610 126.610 122.259 4.351 17968 5791 1 18 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.650 -0.200 17968 5792 1 18 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.913 -0.983 17968 5793 1 18 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.731 -2.701 17968 5794 1 18 . 1 1 41 41 ARG H H 39 8.880 8.880 8.697 0.183 17968 5795 1 18 . 1 1 42 42 ARG N N 40 116.410 116.410 118.988 -2.578 17968 5796 1 18 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.796 0.204 17968 5797 1 18 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.099 -0.569 17968 5798 1 18 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.796 3.034 17968 5799 1 18 . 1 1 42 42 ARG H H 40 8.590 8.590 8.436 0.154 17968 5800 1 18 . 1 1 43 43 GLU N N 41 117.710 117.710 117.907 -0.197 17968 5801 1 18 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.180 0.080 17968 5802 1 18 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.412 0.518 17968 5803 1 18 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.359 1.171 17968 5804 1 18 . 1 1 43 43 GLU H H 41 6.800 6.800 7.675 -0.875 17968 5805 1 18 . 1 1 44 44 VAL N N 42 124.710 124.710 120.290 4.420 17968 5806 1 18 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.601 -0.421 17968 5807 1 18 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.265 1.265 17968 5808 1 18 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.415 -0.085 17968 5809 1 18 . 1 1 44 44 VAL H H 42 7.760 7.760 7.449 0.311 17968 5810 1 18 . 1 1 45 45 TYR N N 43 118.310 118.310 117.536 0.774 17968 5811 1 18 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.260 -0.070 17968 5812 1 18 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.838 0.292 17968 5813 1 18 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.086 1.644 17968 5814 1 18 . 1 1 45 45 TYR H H 43 7.600 7.600 7.674 -0.074 17968 5815 1 18 . 1 1 46 46 ASP N N 44 120.910 120.910 119.805 1.105 17968 5816 1 18 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.537 0.173 17968 5817 1 18 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.197 0.833 17968 5818 1 18 . 1 1 46 46 ASP CB C 44 40.830 40.830 41.024 -0.194 17968 5819 1 18 . 1 1 46 46 ASP H H 44 8.660 8.660 7.720 0.940 17968 5820 1 18 . 1 1 47 47 PHE N N 45 125.310 125.310 120.916 4.394 17968 5821 1 18 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.205 -0.275 17968 5822 1 18 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.136 1.494 17968 5823 1 18 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.363 -0.333 17968 5824 1 18 . 1 1 47 47 PHE H H 45 8.250 8.250 7.673 0.577 17968 5825 1 18 . 1 1 48 48 ALA N N 46 119.710 119.710 119.621 0.089 17968 5826 1 18 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.305 0.195 17968 5827 1 18 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.319 0.811 17968 5828 1 18 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.746 -0.016 17968 5829 1 18 . 1 1 48 48 ALA H H 46 7.790 7.790 7.899 -0.109 17968 5830 1 18 . 1 1 49 49 PHE N N 47 123.210 123.210 118.106 5.104 17968 5831 1 18 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.401 0.149 17968 5832 1 18 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.039 0.491 17968 5833 1 18 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.943 -0.913 17968 5834 1 18 . 1 1 49 49 PHE H H 47 9.040 9.040 7.641 1.399 17968 5835 1 18 . 1 1 50 50 ARG N N 48 119.810 119.810 117.907 1.903 17968 5836 1 18 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.526 -0.476 17968 5837 1 18 . 1 1 50 50 ARG CA C 48 57.130 57.130 53.900 3.230 17968 5838 1 18 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.955 -0.925 17968 5839 1 18 . 1 1 50 50 ARG H H 48 8.100 8.100 7.459 0.641 17968 5840 1 18 . 1 1 51 51 ASP N N 49 120.910 120.910 120.880 0.030 17968 5841 1 18 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.617 -0.167 17968 5842 1 18 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.130 0.400 17968 5843 1 18 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.466 -0.536 17968 5844 1 18 . 1 1 51 51 ASP H H 49 8.010 8.010 8.556 -0.546 17968 5845 1 18 . 1 1 52 52 LEU N N 50 118.510 118.510 123.515 -5.005 17968 5846 1 18 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.559 -0.389 17968 5847 1 18 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.521 0.709 17968 5848 1 18 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.376 -3.146 17968 5849 1 18 . 1 1 52 52 LEU H H 50 6.720 6.720 7.655 -0.935 17968 5850 1 18 . 1 1 53 53 CYS N N 51 117.410 117.410 118.533 -1.123 17968 5851 1 18 . 1 1 53 53 CYS HA H 51 4.910 4.910 4.752 0.158 17968 5852 1 18 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.844 0.885 17968 5853 1 18 . 1 1 53 53 CYS CB C 51 28.730 28.730 29.547 -0.817 17968 5854 1 18 . 1 1 53 53 CYS H H 51 8.030 8.030 8.266 -0.236 17968 5855 1 18 . 1 1 54 54 ILE N N 52 125.110 125.110 123.415 1.695 17968 5856 1 18 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.421 -0.431 17968 5857 1 18 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.180 -1.250 17968 5858 1 18 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.379 -0.649 17968 5859 1 18 . 1 1 54 54 ILE H H 52 8.450 8.450 8.638 -0.188 17968 5860 1 18 . 1 1 55 55 VAL N N 53 127.010 127.010 123.372 3.638 17968 5861 1 18 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.463 -0.113 17968 5862 1 18 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.181 -0.551 17968 5863 1 18 . 1 1 55 55 VAL CB C 53 34.230 34.230 33.029 1.202 17968 5864 1 18 . 1 1 55 55 VAL H H 53 8.120 8.120 8.301 -0.181 17968 5865 1 18 . 1 1 56 56 TYR N N 54 125.010 125.010 124.784 0.226 17968 5866 1 18 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.035 0.345 17968 5867 1 18 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.444 -0.014 17968 5868 1 18 . 1 1 56 56 TYR CB C 54 41.030 41.030 40.541 0.489 17968 5869 1 18 . 1 1 56 56 TYR H H 54 8.710 8.710 8.590 0.120 17968 5870 1 18 . 1 1 57 57 ARG N N 55 123.810 123.810 126.062 -2.252 17968 5871 1 18 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.323 0.307 17968 5872 1 18 . 1 1 57 57 ARG CA C 55 55.330 55.330 54.719 0.611 17968 5873 1 18 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.738 3.092 17968 5874 1 18 . 1 1 57 57 ARG H H 55 8.860 8.860 8.348 0.512 17968 5875 1 18 . 1 1 58 58 ASP N N 56 129.110 129.110 126.211 2.899 17968 5876 1 18 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.246 0.054 17968 5877 1 18 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.527 -0.797 17968 5878 1 18 . 1 1 58 58 ASP CB C 56 40.130 40.130 39.877 0.253 17968 5879 1 18 . 1 1 58 58 ASP H H 56 9.630 9.630 8.985 0.645 17968 5880 1 18 . 1 1 59 59 GLY N N 57 104.510 104.510 106.271 -1.761 17968 5881 1 18 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.178 0.452 17968 5882 1 18 . 1 1 59 59 GLY H H 57 8.710 8.710 8.413 0.297 17968 5883 1 18 . 1 1 60 60 ASN N N 58 122.110 122.110 120.227 1.883 17968 5884 1 18 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.332 0.048 17968 5885 1 18 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.099 0.231 17968 5886 1 18 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.910 -0.480 17968 5887 1 18 . 1 1 60 60 ASN H H 58 8.130 8.130 8.099 0.031 17968 5888 1 18 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.126 0.644 17968 5889 1 18 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.745 -0.715 17968 5890 1 18 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.605 1.825 17968 5891 1 18 . 1 1 62 62 TYR N N 60 119.910 119.910 122.888 -2.978 17968 5892 1 18 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.474 -0.124 17968 5893 1 18 . 1 1 62 62 TYR CA C 60 58.130 58.130 57.079 1.051 17968 5894 1 18 . 1 1 62 62 TYR CB C 60 43.430 43.430 43.309 0.122 17968 5895 1 18 . 1 1 62 62 TYR H H 60 8.580 8.580 7.935 0.645 17968 5896 1 18 . 1 1 63 63 ALA N N 61 123.710 123.710 120.599 3.111 17968 5897 1 18 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.623 -0.243 17968 5898 1 18 . 1 1 63 63 ALA CA C 61 49.330 49.330 50.037 -0.707 17968 5899 1 18 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.880 -1.650 17968 5900 1 18 . 1 1 63 63 ALA H H 61 7.980 7.980 9.041 -1.061 17968 5901 1 18 . 1 1 64 64 VAL N N 62 120.610 120.610 117.737 2.873 17968 5902 1 18 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.394 1.086 17968 5903 1 18 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.837 0.493 17968 5904 1 18 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.810 2.420 17968 5905 1 18 . 1 1 64 64 VAL H H 62 6.330 6.330 8.267 -1.937 17968 5906 1 18 . 1 1 65 65 CYS N N 63 130.310 130.310 123.705 6.605 17968 5907 1 18 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.642 -0.082 17968 5908 1 18 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.552 0.878 17968 5909 1 18 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.879 1.151 17968 5910 1 18 . 1 1 65 65 CYS H H 63 9.420 9.420 8.546 0.874 17968 5911 1 18 . 1 1 66 66 ASP N N 64 121.110 121.110 120.020 1.090 17968 5912 1 18 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.320 0.090 17968 5913 1 18 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.969 0.461 17968 5914 1 18 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.859 1.671 17968 5915 1 18 . 1 1 66 66 ASP H H 64 9.040 9.040 9.004 0.036 17968 5916 1 18 . 1 1 67 67 LYS N N 65 121.910 121.910 119.553 2.357 17968 5917 1 18 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.241 -0.251 17968 5918 1 18 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.310 0.820 17968 5919 1 18 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.541 0.289 17968 5920 1 18 . 1 1 67 67 LYS H H 65 8.330 8.330 8.220 0.110 17968 5921 1 18 . 1 1 68 68 CYS N N 66 125.510 125.510 119.013 6.497 17968 5922 1 18 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.691 -0.581 17968 5923 1 18 . 1 1 68 68 CYS CA C 66 63.730 63.730 62.123 1.607 17968 5924 1 18 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.953 4.677 17968 5925 1 18 . 1 1 68 68 CYS H H 66 8.690 8.690 7.847 0.843 17968 5926 1 18 . 1 1 69 69 LEU N N 67 125.110 125.110 122.197 2.913 17968 5927 1 18 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.189 -0.159 17968 5928 1 18 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.486 0.144 17968 5929 1 18 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.331 -0.101 17968 5930 1 18 . 1 1 69 69 LEU H H 67 8.460 8.460 8.691 -0.231 17968 5931 1 18 . 1 1 70 70 LYS N N 68 119.210 119.210 117.225 1.985 17968 5932 1 18 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.132 -0.152 17968 5933 1 18 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.234 0.796 17968 5934 1 18 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.742 -0.512 17968 5935 1 18 . 1 1 70 70 LYS H H 68 7.830 7.830 7.858 -0.028 17968 5936 1 18 . 1 1 71 71 PHE N N 69 121.710 121.710 118.836 2.874 17968 5937 1 18 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.218 0.052 17968 5938 1 18 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.767 -0.638 17968 5939 1 18 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.957 -0.527 17968 5940 1 18 . 1 1 71 71 PHE H H 69 7.810 7.810 7.536 0.274 17968 5941 1 19 . 1 1 4 4 PHE N N 2 122.310 122.310 122.558 -0.248 17968 5942 1 19 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.936 -0.316 17968 5943 1 19 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.535 -0.205 17968 5944 1 19 . 1 1 4 4 PHE CB C 2 39.430 39.430 42.523 -3.093 17968 5945 1 19 . 1 1 4 4 PHE H H 2 8.370 8.370 8.599 -0.229 17968 5946 1 19 . 1 1 5 5 GLN N N 3 123.510 123.510 123.675 -0.165 17968 5947 1 19 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.519 -0.329 17968 5948 1 19 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.369 1.661 17968 5949 1 19 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.487 -0.557 17968 5950 1 19 . 1 1 5 5 GLN H H 3 8.250 8.250 8.122 0.128 17968 5951 1 19 . 1 1 6 6 ASP N N 4 125.010 125.010 119.137 5.873 17968 5952 1 19 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.423 0.417 17968 5953 1 19 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.346 -1.316 17968 5954 1 19 . 1 1 6 6 ASP CB C 4 41.730 41.730 40.678 1.052 17968 5955 1 19 . 1 1 6 6 ASP H H 4 8.410 8.410 8.456 -0.046 17968 5956 1 19 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.340 -0.220 17968 5957 1 19 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.357 0.773 17968 5958 1 19 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.122 0.208 17968 5959 1 19 . 1 1 8 8 GLN N N 6 119.710 119.710 119.905 -0.195 17968 5960 1 19 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.186 -0.035 17968 5961 1 19 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.451 1.179 17968 5962 1 19 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.333 1.997 17968 5963 1 19 . 1 1 8 8 GLN H H 6 8.430 8.430 7.289 1.141 17968 5964 1 19 . 1 1 9 9 GLU N N 7 122.110 122.110 124.195 -2.085 17968 5965 1 19 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.048 0.132 17968 5966 1 19 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.409 -0.279 17968 5967 1 19 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.166 0.364 17968 5968 1 19 . 1 1 9 9 GLU H H 7 7.940 7.940 8.682 -0.742 17968 5969 1 19 . 1 1 10 10 ARG N N 8 123.410 123.410 116.290 7.120 17968 5970 1 19 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.179 0.231 17968 5971 1 19 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.675 -1.546 17968 5972 1 19 . 1 1 10 10 ARG CB C 8 29.330 29.330 28.198 1.132 17968 5973 1 19 . 1 1 10 10 ARG H H 8 7.670 7.670 7.694 -0.024 17968 5974 1 19 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.471 -0.131 17968 5975 1 19 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.601 0.929 17968 5976 1 19 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.228 0.402 17968 5977 1 19 . 1 1 12 12 ARG N N 10 123.810 123.810 120.449 3.361 17968 5978 1 19 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.728 -0.068 17968 5979 1 19 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.842 0.988 17968 5980 1 19 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.368 2.162 17968 5981 1 19 . 1 1 12 12 ARG H H 10 8.700 8.700 8.763 -0.063 17968 5982 1 19 . 1 1 13 13 LYS N N 11 118.310 118.310 118.674 -0.364 17968 5983 1 19 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.752 0.298 17968 5984 1 19 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.041 -0.811 17968 5985 1 19 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.707 0.923 17968 5986 1 19 . 1 1 13 13 LYS H H 11 7.810 7.810 7.594 0.216 17968 5987 1 19 . 1 1 14 14 LEU N N 12 124.810 124.810 128.176 -3.366 17968 5988 1 19 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.247 -0.097 17968 5989 1 19 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.914 -0.284 17968 5990 1 19 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.932 0.598 17968 5991 1 19 . 1 1 14 14 LEU H H 12 10.210 10.210 9.239 0.971 17968 5992 1 19 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.168 0.002 17968 5993 1 19 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.801 1.529 17968 5994 1 19 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.982 -0.452 17968 5995 1 19 . 1 1 16 16 GLN N N 14 117.710 117.710 116.277 1.433 17968 5996 1 19 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.303 -0.143 17968 5997 1 19 . 1 1 16 16 GLN CA C 14 59.130 59.130 57.484 1.646 17968 5998 1 19 . 1 1 16 16 GLN CB C 14 28.630 28.630 29.156 -0.526 17968 5999 1 19 . 1 1 16 16 GLN H H 14 7.100 7.100 7.655 -0.555 17968 6000 1 19 . 1 1 17 17 LEU N N 15 124.610 124.610 122.585 2.025 17968 6001 1 19 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.220 -0.220 17968 6002 1 19 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.584 1.046 17968 6003 1 19 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.840 0.190 17968 6004 1 19 . 1 1 17 17 LEU H H 15 8.020 8.020 7.930 0.090 17968 6005 1 19 . 1 1 18 18 CYS N N 16 117.210 117.210 116.792 0.418 17968 6006 1 19 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.049 -0.319 17968 6007 1 19 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.640 1.190 17968 6008 1 19 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.475 -0.245 17968 6009 1 19 . 1 1 18 18 CYS H H 16 8.410 8.410 8.288 0.122 17968 6010 1 19 . 1 1 19 19 THR N N 17 117.710 117.710 114.421 3.289 17968 6011 1 19 . 1 1 19 19 THR HA H 17 3.990 3.990 4.115 -0.125 17968 6012 1 19 . 1 1 19 19 THR CA C 17 66.830 66.830 66.357 0.473 17968 6013 1 19 . 1 1 19 19 THR CB C 17 68.830 68.830 68.414 0.416 17968 6014 1 19 . 1 1 19 19 THR H H 17 7.670 7.670 7.976 -0.306 17968 6015 1 19 . 1 1 20 20 GLU N N 18 125.410 125.410 120.553 4.857 17968 6016 1 19 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.239 -0.178 17968 6017 1 19 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.102 0.728 17968 6018 1 19 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.170 0.460 17968 6019 1 19 . 1 1 20 20 GLU H H 18 7.980 7.980 7.601 0.379 17968 6020 1 19 . 1 1 21 21 LEU N N 19 118.810 118.810 118.189 0.621 17968 6021 1 19 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.412 -0.122 17968 6022 1 19 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.346 -0.416 17968 6023 1 19 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.188 0.042 17968 6024 1 19 . 1 1 21 21 LEU H H 19 7.990 7.990 7.599 0.391 17968 6025 1 19 . 1 1 22 22 GLN N N 20 118.310 118.310 115.158 3.152 17968 6026 1 19 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.024 -0.084 17968 6027 1 19 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.351 -0.721 17968 6028 1 19 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.133 -0.003 17968 6029 1 19 . 1 1 22 22 GLN H H 20 7.850 7.850 7.782 0.068 17968 6030 1 19 . 1 1 23 23 THR N N 21 115.810 115.810 113.679 2.131 17968 6031 1 19 . 1 1 23 23 THR HA H 21 4.920 4.920 4.828 0.092 17968 6032 1 19 . 1 1 23 23 THR CA C 21 58.730 58.730 60.605 -1.875 17968 6033 1 19 . 1 1 23 23 THR CB C 21 70.330 70.330 70.512 -0.182 17968 6034 1 19 . 1 1 23 23 THR H H 21 8.210 8.210 8.163 0.047 17968 6035 1 19 . 1 1 24 24 THR N N 22 112.810 112.810 112.860 -0.050 17968 6036 1 19 . 1 1 24 24 THR HA H 22 4.860 4.860 4.790 0.070 17968 6037 1 19 . 1 1 24 24 THR CA C 22 59.830 59.830 60.570 -0.740 17968 6038 1 19 . 1 1 24 24 THR CB C 22 74.030 74.030 70.510 3.520 17968 6039 1 19 . 1 1 24 24 THR H H 22 8.620 8.620 8.105 0.515 17968 6040 1 19 . 1 1 25 25 ILE N N 23 124.310 124.310 118.613 5.697 17968 6041 1 19 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.928 -0.268 17968 6042 1 19 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.119 -0.389 17968 6043 1 19 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.800 0.430 17968 6044 1 19 . 1 1 25 25 ILE H H 23 9.020 9.020 8.494 0.526 17968 6045 1 19 . 1 1 26 26 HIS N N 24 119.210 119.210 114.287 4.923 17968 6046 1 19 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.961 -0.581 17968 6047 1 19 . 1 1 26 26 HIS CA C 24 56.430 56.430 57.221 -0.791 17968 6048 1 19 . 1 1 26 26 HIS CB C 24 30.730 30.730 29.562 1.168 17968 6049 1 19 . 1 1 26 26 HIS H H 24 6.870 6.870 8.034 -1.164 17968 6050 1 19 . 1 1 27 27 ASP N N 25 116.510 116.510 118.369 -1.859 17968 6051 1 19 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.704 0.046 17968 6052 1 19 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.319 0.111 17968 6053 1 19 . 1 1 27 27 ASP CB C 25 44.330 44.330 43.187 1.143 17968 6054 1 19 . 1 1 27 27 ASP H H 25 7.220 7.220 7.715 -0.495 17968 6055 1 19 . 1 1 28 28 ILE N N 26 123.310 123.310 122.745 0.565 17968 6056 1 19 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.926 -0.026 17968 6057 1 19 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.511 0.619 17968 6058 1 19 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.433 -0.503 17968 6059 1 19 . 1 1 28 28 ILE H H 26 7.690 7.690 7.685 0.005 17968 6060 1 19 . 1 1 29 29 ILE N N 27 130.910 130.910 129.385 1.525 17968 6061 1 19 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.189 0.171 17968 6062 1 19 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.080 -0.250 17968 6063 1 19 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.026 0.704 17968 6064 1 19 . 1 1 29 29 ILE H H 27 8.230 8.230 8.119 0.111 17968 6065 1 19 . 1 1 30 30 LEU N N 28 129.310 129.310 128.408 0.902 17968 6066 1 19 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.456 0.194 17968 6067 1 19 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.242 -0.712 17968 6068 1 19 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.542 2.788 17968 6069 1 19 . 1 1 30 30 LEU H H 28 8.450 8.450 8.493 -0.043 17968 6070 1 19 . 1 1 31 31 GLU N N 29 121.810 121.810 118.258 3.552 17968 6071 1 19 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.923 -0.263 17968 6072 1 19 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.388 0.342 17968 6073 1 19 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.985 0.945 17968 6074 1 19 . 1 1 31 31 GLU H H 29 8.820 8.820 8.306 0.514 17968 6075 1 19 . 1 1 32 32 CYS N N 30 125.510 125.510 121.235 4.275 17968 6076 1 19 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.909 -0.879 17968 6077 1 19 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.489 -1.259 17968 6078 1 19 . 1 1 32 32 CYS CB C 30 31.830 31.830 27.921 3.909 17968 6079 1 19 . 1 1 32 32 CYS H H 30 8.240 8.240 8.900 -0.660 17968 6080 1 19 . 1 1 33 33 VAL N N 31 132.310 132.310 127.506 4.804 17968 6081 1 19 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.503 -0.423 17968 6082 1 19 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.289 0.041 17968 6083 1 19 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.024 -0.394 17968 6084 1 19 . 1 1 33 33 VAL H H 31 8.880 8.880 8.784 0.096 17968 6085 1 19 . 1 1 34 34 TYR N N 32 124.210 124.210 116.092 8.118 17968 6086 1 19 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.523 -0.073 17968 6087 1 19 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.788 0.242 17968 6088 1 19 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.667 0.363 17968 6089 1 19 . 1 1 34 34 TYR H H 32 8.620 8.620 7.555 1.065 17968 6090 1 19 . 1 1 35 35 CYS N N 33 119.810 119.810 113.479 6.331 17968 6091 1 19 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.688 0.112 17968 6092 1 19 . 1 1 35 35 CYS CA C 33 59.330 59.330 57.876 1.454 17968 6093 1 19 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.095 5.135 17968 6094 1 19 . 1 1 35 35 CYS H H 33 8.090 8.090 7.881 0.209 17968 6095 1 19 . 1 1 36 36 LYS N N 34 119.810 119.810 116.862 2.948 17968 6096 1 19 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.268 -0.108 17968 6097 1 19 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.134 0.696 17968 6098 1 19 . 1 1 36 36 LYS CB C 34 29.230 29.230 29.890 -0.660 17968 6099 1 19 . 1 1 36 36 LYS H H 34 7.870 7.870 7.873 -0.003 17968 6100 1 19 . 1 1 37 37 GLN N N 35 120.610 120.610 118.076 2.534 17968 6101 1 19 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.256 0.114 17968 6102 1 19 . 1 1 37 37 GLN CA C 35 55.430 55.430 56.043 -0.613 17968 6103 1 19 . 1 1 37 37 GLN CB C 35 29.730 29.730 29.207 0.523 17968 6104 1 19 . 1 1 37 37 GLN H H 35 8.250 8.250 8.073 0.177 17968 6105 1 19 . 1 1 38 38 GLN N N 36 123.610 123.610 123.038 0.572 17968 6106 1 19 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.118 0.242 17968 6107 1 19 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.189 0.641 17968 6108 1 19 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.744 0.686 17968 6109 1 19 . 1 1 38 38 GLN H H 36 8.630 8.630 8.566 0.064 17968 6110 1 19 . 1 1 39 39 LEU N N 37 131.410 131.410 126.893 4.517 17968 6111 1 19 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.273 -0.173 17968 6112 1 19 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.734 2.496 17968 6113 1 19 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.567 -0.437 17968 6114 1 19 . 1 1 39 39 LEU H H 37 8.830 8.830 8.484 0.346 17968 6115 1 19 . 1 1 40 40 LEU N N 38 126.410 126.410 122.710 3.700 17968 6116 1 19 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.329 -0.039 17968 6117 1 19 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.554 -0.224 17968 6118 1 19 . 1 1 40 40 LEU CB C 38 42.930 42.930 44.205 -1.275 17968 6119 1 19 . 1 1 40 40 LEU H H 38 9.780 9.780 8.424 1.356 17968 6120 1 19 . 1 1 41 41 ARG N N 39 126.610 126.610 121.964 4.646 17968 6121 1 19 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.612 -0.162 17968 6122 1 19 . 1 1 41 41 ARG CA C 39 57.930 57.930 58.905 -0.975 17968 6123 1 19 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.338 -2.308 17968 6124 1 19 . 1 1 41 41 ARG H H 39 8.880 8.880 8.569 0.311 17968 6125 1 19 . 1 1 42 42 ARG N N 40 116.410 116.410 118.910 -2.500 17968 6126 1 19 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.018 -0.018 17968 6127 1 19 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.266 -0.736 17968 6128 1 19 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.834 2.996 17968 6129 1 19 . 1 1 42 42 ARG H H 40 8.590 8.590 8.493 0.097 17968 6130 1 19 . 1 1 43 43 GLU N N 41 117.710 117.710 118.067 -0.357 17968 6131 1 19 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.194 0.066 17968 6132 1 19 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.117 0.813 17968 6133 1 19 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.206 1.324 17968 6134 1 19 . 1 1 43 43 GLU H H 41 6.800 6.800 7.682 -0.882 17968 6135 1 19 . 1 1 44 44 VAL N N 42 124.710 124.710 120.341 4.369 17968 6136 1 19 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.590 -0.410 17968 6137 1 19 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.353 1.177 17968 6138 1 19 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.383 -0.052 17968 6139 1 19 . 1 1 44 44 VAL H H 42 7.760 7.760 7.595 0.165 17968 6140 1 19 . 1 1 45 45 TYR N N 43 118.310 118.310 118.240 0.070 17968 6141 1 19 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.222 -0.032 17968 6142 1 19 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.995 0.135 17968 6143 1 19 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.169 1.561 17968 6144 1 19 . 1 1 45 45 TYR H H 43 7.600 7.600 7.515 0.085 17968 6145 1 19 . 1 1 46 46 ASP N N 44 120.910 120.910 119.565 1.345 17968 6146 1 19 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.464 0.246 17968 6147 1 19 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.139 0.891 17968 6148 1 19 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.807 0.023 17968 6149 1 19 . 1 1 46 46 ASP H H 44 8.660 8.660 7.649 1.011 17968 6150 1 19 . 1 1 47 47 PHE N N 45 125.310 125.310 119.129 6.181 17968 6151 1 19 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.247 -0.317 17968 6152 1 19 . 1 1 47 47 PHE CA C 45 62.630 62.630 60.960 1.670 17968 6153 1 19 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.422 -0.392 17968 6154 1 19 . 1 1 47 47 PHE H H 45 8.250 8.250 7.728 0.522 17968 6155 1 19 . 1 1 48 48 ALA N N 46 119.710 119.710 120.346 -0.636 17968 6156 1 19 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.287 0.213 17968 6157 1 19 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.231 0.899 17968 6158 1 19 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.946 -0.216 17968 6159 1 19 . 1 1 48 48 ALA H H 46 7.790 7.790 7.492 0.298 17968 6160 1 19 . 1 1 49 49 PHE N N 47 123.210 123.210 117.837 5.373 17968 6161 1 19 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.526 0.024 17968 6162 1 19 . 1 1 49 49 PHE CA C 47 60.530 60.530 58.458 2.072 17968 6163 1 19 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.331 -0.301 17968 6164 1 19 . 1 1 49 49 PHE H H 47 9.040 9.040 7.658 1.382 17968 6165 1 19 . 1 1 50 50 ARG N N 48 119.810 119.810 119.053 0.757 17968 6166 1 19 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.422 -0.372 17968 6167 1 19 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.866 2.264 17968 6168 1 19 . 1 1 50 50 ARG CB C 48 31.030 31.030 34.126 -3.096 17968 6169 1 19 . 1 1 50 50 ARG H H 48 8.100 8.100 7.364 0.736 17968 6170 1 19 . 1 1 51 51 ASP N N 49 120.910 120.910 122.790 -1.880 17968 6171 1 19 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.589 -0.139 17968 6172 1 19 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.332 0.198 17968 6173 1 19 . 1 1 51 51 ASP CB C 49 39.930 39.930 39.735 0.195 17968 6174 1 19 . 1 1 51 51 ASP H H 49 8.010 8.010 8.575 -0.565 17968 6175 1 19 . 1 1 52 52 LEU N N 50 118.510 118.510 123.565 -5.055 17968 6176 1 19 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.622 -0.452 17968 6177 1 19 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.008 1.222 17968 6178 1 19 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.617 -3.387 17968 6179 1 19 . 1 1 52 52 LEU H H 50 6.720 6.720 7.831 -1.111 17968 6180 1 19 . 1 1 53 53 CYS N N 51 117.410 117.410 117.964 -0.554 17968 6181 1 19 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.203 -0.293 17968 6182 1 19 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.627 2.103 17968 6183 1 19 . 1 1 53 53 CYS CB C 51 28.730 28.730 31.000 -2.270 17968 6184 1 19 . 1 1 53 53 CYS H H 51 8.030 8.030 8.432 -0.402 17968 6185 1 19 . 1 1 54 54 ILE N N 52 125.110 125.110 122.455 2.655 17968 6186 1 19 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.289 -0.299 17968 6187 1 19 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.517 -1.587 17968 6188 1 19 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.553 -0.823 17968 6189 1 19 . 1 1 54 54 ILE H H 52 8.450 8.450 8.471 -0.021 17968 6190 1 19 . 1 1 55 55 VAL N N 53 127.010 127.010 127.735 -0.725 17968 6191 1 19 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.206 0.144 17968 6192 1 19 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.550 -0.920 17968 6193 1 19 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.445 1.785 17968 6194 1 19 . 1 1 55 55 VAL H H 53 8.120 8.120 8.121 -0.001 17968 6195 1 19 . 1 1 56 56 TYR N N 54 125.010 125.010 128.118 -3.108 17968 6196 1 19 . 1 1 56 56 TYR HA H 54 5.380 5.380 4.915 0.465 17968 6197 1 19 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.766 -0.336 17968 6198 1 19 . 1 1 56 56 TYR CB C 54 41.030 41.030 38.964 2.066 17968 6199 1 19 . 1 1 56 56 TYR H H 54 8.710 8.710 8.762 -0.052 17968 6200 1 19 . 1 1 57 57 ARG N N 55 123.810 123.810 126.350 -2.540 17968 6201 1 19 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.124 0.506 17968 6202 1 19 . 1 1 57 57 ARG CA C 55 55.330 55.330 56.005 -0.675 17968 6203 1 19 . 1 1 57 57 ARG CB C 55 32.830 32.830 29.100 3.730 17968 6204 1 19 . 1 1 57 57 ARG H H 55 8.860 8.860 8.421 0.439 17968 6205 1 19 . 1 1 58 58 ASP N N 56 129.110 129.110 124.812 4.298 17968 6206 1 19 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.359 -0.059 17968 6207 1 19 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.590 -0.860 17968 6208 1 19 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.381 -0.251 17968 6209 1 19 . 1 1 58 58 ASP H H 56 9.630 9.630 8.787 0.843 17968 6210 1 19 . 1 1 59 59 GLY N N 57 104.510 104.510 108.370 -3.860 17968 6211 1 19 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.483 0.148 17968 6212 1 19 . 1 1 59 59 GLY H H 57 8.710 8.710 8.525 0.185 17968 6213 1 19 . 1 1 60 60 ASN N N 58 122.110 122.110 118.747 3.363 17968 6214 1 19 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.356 0.024 17968 6215 1 19 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.876 -0.546 17968 6216 1 19 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.806 -1.376 17968 6217 1 19 . 1 1 60 60 ASN H H 58 8.130 8.130 7.803 0.327 17968 6218 1 19 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.443 0.327 17968 6219 1 19 . 1 1 61 61 PRO CA C 59 62.030 62.030 63.109 -1.079 17968 6220 1 19 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.357 2.073 17968 6221 1 19 . 1 1 62 62 TYR N N 60 119.910 119.910 123.334 -3.424 17968 6222 1 19 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.706 -0.356 17968 6223 1 19 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.930 1.200 17968 6224 1 19 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.993 0.437 17968 6225 1 19 . 1 1 62 62 TYR H H 60 8.580 8.580 7.349 1.231 17968 6226 1 19 . 1 1 63 63 ALA N N 61 123.710 123.710 121.689 2.021 17968 6227 1 19 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.557 -0.177 17968 6228 1 19 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.609 -0.279 17968 6229 1 19 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.391 -1.161 17968 6230 1 19 . 1 1 63 63 ALA H H 61 7.980 7.980 8.989 -1.009 17968 6231 1 19 . 1 1 64 64 VAL N N 62 120.610 120.610 117.749 2.861 17968 6232 1 19 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.397 1.083 17968 6233 1 19 . 1 1 64 64 VAL CA C 62 61.330 61.330 60.974 0.356 17968 6234 1 19 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.148 3.083 17968 6235 1 19 . 1 1 64 64 VAL H H 62 6.330 6.330 8.152 -1.822 17968 6236 1 19 . 1 1 65 65 CYS N N 63 130.310 130.310 124.168 6.142 17968 6237 1 19 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.593 -0.033 17968 6238 1 19 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.385 1.045 17968 6239 1 19 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.927 1.103 17968 6240 1 19 . 1 1 65 65 CYS H H 63 9.420 9.420 8.552 0.868 17968 6241 1 19 . 1 1 66 66 ASP N N 64 121.110 121.110 121.658 -0.548 17968 6242 1 19 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.338 0.072 17968 6243 1 19 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.489 0.941 17968 6244 1 19 . 1 1 66 66 ASP CB C 64 42.530 42.530 41.100 1.430 17968 6245 1 19 . 1 1 66 66 ASP H H 64 9.040 9.040 9.041 -0.001 17968 6246 1 19 . 1 1 67 67 LYS N N 65 121.910 121.910 119.556 2.354 17968 6247 1 19 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.373 -0.383 17968 6248 1 19 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.170 0.960 17968 6249 1 19 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.535 0.295 17968 6250 1 19 . 1 1 67 67 LYS H H 65 8.330 8.330 8.219 0.111 17968 6251 1 19 . 1 1 68 68 CYS N N 66 125.510 125.510 119.201 6.309 17968 6252 1 19 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.621 -0.511 17968 6253 1 19 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.719 2.011 17968 6254 1 19 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.137 4.493 17968 6255 1 19 . 1 1 68 68 CYS H H 66 8.690 8.690 7.765 0.925 17968 6256 1 19 . 1 1 69 69 LEU N N 67 125.110 125.110 122.033 3.077 17968 6257 1 19 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.107 -0.077 17968 6258 1 19 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.345 0.285 17968 6259 1 19 . 1 1 69 69 LEU CB C 67 42.230 42.230 41.975 0.255 17968 6260 1 19 . 1 1 69 69 LEU H H 67 8.460 8.460 8.680 -0.220 17968 6261 1 19 . 1 1 70 70 LYS N N 68 119.210 119.210 118.332 0.878 17968 6262 1 19 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.091 -0.111 17968 6263 1 19 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.286 0.744 17968 6264 1 19 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.126 0.104 17968 6265 1 19 . 1 1 70 70 LYS H H 68 7.830 7.830 7.952 -0.122 17968 6266 1 19 . 1 1 71 71 PHE N N 69 121.710 121.710 118.374 3.336 17968 6267 1 19 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.172 0.098 17968 6268 1 19 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.207 -0.077 17968 6269 1 19 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.242 0.188 17968 6270 1 19 . 1 1 71 71 PHE H H 69 7.810 7.810 7.283 0.527 17968 6271 1 20 . 1 1 4 4 PHE N N 2 122.310 122.310 123.363 -1.053 17968 6272 1 20 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.860 -0.240 17968 6273 1 20 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.446 -0.116 17968 6274 1 20 . 1 1 4 4 PHE CB C 2 39.430 39.430 42.103 -2.673 17968 6275 1 20 . 1 1 4 4 PHE H H 2 8.370 8.370 8.491 -0.121 17968 6276 1 20 . 1 1 5 5 GLN N N 3 123.510 123.510 123.142 0.368 17968 6277 1 20 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.448 -0.258 17968 6278 1 20 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.307 1.723 17968 6279 1 20 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.180 -0.249 17968 6280 1 20 . 1 1 5 5 GLN H H 3 8.250 8.250 8.069 0.181 17968 6281 1 20 . 1 1 6 6 ASP N N 4 125.010 125.010 119.999 5.011 17968 6282 1 20 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.383 0.457 17968 6283 1 20 . 1 1 6 6 ASP CA C 4 52.030 52.030 54.064 -2.034 17968 6284 1 20 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.503 0.227 17968 6285 1 20 . 1 1 6 6 ASP H H 4 8.410 8.410 8.448 -0.038 17968 6286 1 20 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.361 -0.241 17968 6287 1 20 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.260 0.870 17968 6288 1 20 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.253 0.077 17968 6289 1 20 . 1 1 8 8 GLN N N 6 119.710 119.710 118.459 1.251 17968 6290 1 20 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.073 0.077 17968 6291 1 20 . 1 1 8 8 GLN CA C 6 56.630 56.630 56.205 0.425 17968 6292 1 20 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.816 1.514 17968 6293 1 20 . 1 1 8 8 GLN H H 6 8.430 8.430 7.464 0.966 17968 6294 1 20 . 1 1 9 9 GLU N N 7 122.110 122.110 122.631 -0.521 17968 6295 1 20 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.311 -0.131 17968 6296 1 20 . 1 1 9 9 GLU CA C 7 56.130 56.130 54.995 1.135 17968 6297 1 20 . 1 1 9 9 GLU CB C 7 30.530 30.530 31.080 -0.550 17968 6298 1 20 . 1 1 9 9 GLU H H 7 7.940 7.940 9.155 -1.215 17968 6299 1 20 . 1 1 10 10 ARG N N 8 123.410 123.410 117.535 5.875 17968 6300 1 20 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.259 0.151 17968 6301 1 20 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.786 -1.656 17968 6302 1 20 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.883 1.448 17968 6303 1 20 . 1 1 10 10 ARG H H 8 7.670 7.670 8.853 -1.183 17968 6304 1 20 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.553 -0.213 17968 6305 1 20 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.376 1.154 17968 6306 1 20 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.538 0.092 17968 6307 1 20 . 1 1 12 12 ARG N N 10 123.810 123.810 118.946 4.864 17968 6308 1 20 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.723 -0.063 17968 6309 1 20 . 1 1 12 12 ARG CA C 10 56.830 56.830 55.655 1.175 17968 6310 1 20 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.729 1.801 17968 6311 1 20 . 1 1 12 12 ARG H H 10 8.700 8.700 8.787 -0.087 17968 6312 1 20 . 1 1 13 13 LYS N N 11 118.310 118.310 119.120 -0.810 17968 6313 1 20 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.752 0.298 17968 6314 1 20 . 1 1 13 13 LYS CA C 11 53.230 53.230 53.949 -0.719 17968 6315 1 20 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.088 1.542 17968 6316 1 20 . 1 1 13 13 LYS H H 11 7.810 7.810 7.592 0.218 17968 6317 1 20 . 1 1 14 14 LEU N N 12 124.810 124.810 127.878 -3.068 17968 6318 1 20 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.249 -0.099 17968 6319 1 20 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.740 -0.110 17968 6320 1 20 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.870 0.660 17968 6321 1 20 . 1 1 14 14 LEU H H 12 10.210 10.210 9.320 0.890 17968 6322 1 20 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.072 0.098 17968 6323 1 20 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.854 1.476 17968 6324 1 20 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.987 -0.457 17968 6325 1 20 . 1 1 16 16 GLN N N 14 117.710 117.710 116.970 0.740 17968 6326 1 20 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.213 -0.053 17968 6327 1 20 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.001 1.129 17968 6328 1 20 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.947 -0.317 17968 6329 1 20 . 1 1 16 16 GLN H H 14 7.100 7.100 7.581 -0.481 17968 6330 1 20 . 1 1 17 17 LEU N N 15 124.610 124.610 122.598 2.012 17968 6331 1 20 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.164 -0.164 17968 6332 1 20 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.923 0.707 17968 6333 1 20 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.741 0.289 17968 6334 1 20 . 1 1 17 17 LEU H H 15 8.020 8.020 8.046 -0.026 17968 6335 1 20 . 1 1 18 18 CYS N N 16 117.210 117.210 116.272 0.938 17968 6336 1 20 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.052 -0.322 17968 6337 1 20 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.658 1.172 17968 6338 1 20 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.405 -0.175 17968 6339 1 20 . 1 1 18 18 CYS H H 16 8.410 8.410 8.260 0.150 17968 6340 1 20 . 1 1 19 19 THR N N 17 117.710 117.710 116.078 1.632 17968 6341 1 20 . 1 1 19 19 THR HA H 17 3.990 3.990 4.132 -0.142 17968 6342 1 20 . 1 1 19 19 THR CA C 17 66.830 66.830 66.267 0.563 17968 6343 1 20 . 1 1 19 19 THR CB C 17 68.830 68.830 68.407 0.423 17968 6344 1 20 . 1 1 19 19 THR H H 17 7.670 7.670 7.639 0.031 17968 6345 1 20 . 1 1 20 20 GLU N N 18 125.410 125.410 121.629 3.781 17968 6346 1 20 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.226 -0.166 17968 6347 1 20 . 1 1 20 20 GLU CA C 18 59.830 59.830 59.122 0.708 17968 6348 1 20 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.557 0.073 17968 6349 1 20 . 1 1 20 20 GLU H H 18 7.980 7.980 7.724 0.256 17968 6350 1 20 . 1 1 21 21 LEU N N 19 118.810 118.810 117.863 0.947 17968 6351 1 20 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.474 -0.184 17968 6352 1 20 . 1 1 21 21 LEU CA C 19 54.930 54.930 54.984 -0.054 17968 6353 1 20 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.280 -0.050 17968 6354 1 20 . 1 1 21 21 LEU H H 19 7.990 7.990 7.733 0.257 17968 6355 1 20 . 1 1 22 22 GLN N N 20 118.310 118.310 116.024 2.286 17968 6356 1 20 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.095 -0.155 17968 6357 1 20 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.163 -0.533 17968 6358 1 20 . 1 1 22 22 GLN CB C 20 26.130 26.130 25.860 0.270 17968 6359 1 20 . 1 1 22 22 GLN H H 20 7.850 7.850 7.715 0.135 17968 6360 1 20 . 1 1 23 23 THR N N 21 115.810 115.810 112.689 3.121 17968 6361 1 20 . 1 1 23 23 THR HA H 21 4.920 4.920 4.680 0.240 17968 6362 1 20 . 1 1 23 23 THR CA C 21 58.730 58.730 60.197 -1.467 17968 6363 1 20 . 1 1 23 23 THR CB C 21 70.330 70.330 70.778 -0.448 17968 6364 1 20 . 1 1 23 23 THR H H 21 8.210 8.210 8.355 -0.145 17968 6365 1 20 . 1 1 24 24 THR N N 22 112.810 112.810 113.057 -0.247 17968 6366 1 20 . 1 1 24 24 THR HA H 22 4.860 4.860 4.756 0.104 17968 6367 1 20 . 1 1 24 24 THR CA C 22 59.830 59.830 59.752 0.078 17968 6368 1 20 . 1 1 24 24 THR CB C 22 74.030 74.030 71.144 2.885 17968 6369 1 20 . 1 1 24 24 THR H H 22 8.620 8.620 7.988 0.632 17968 6370 1 20 . 1 1 25 25 ILE N N 23 124.310 124.310 117.142 7.168 17968 6371 1 20 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.803 -0.143 17968 6372 1 20 . 1 1 25 25 ILE CA C 23 62.730 62.730 63.023 -0.292 17968 6373 1 20 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.441 0.790 17968 6374 1 20 . 1 1 25 25 ILE H H 23 9.020 9.020 8.279 0.741 17968 6375 1 20 . 1 1 26 26 HIS N N 24 119.210 119.210 117.518 1.692 17968 6376 1 20 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.792 -0.412 17968 6377 1 20 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.242 0.188 17968 6378 1 20 . 1 1 26 26 HIS CB C 24 30.730 30.730 27.569 3.161 17968 6379 1 20 . 1 1 26 26 HIS H H 24 6.870 6.870 7.848 -0.978 17968 6380 1 20 . 1 1 27 27 ASP N N 25 116.510 116.510 119.489 -2.979 17968 6381 1 20 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.589 0.161 17968 6382 1 20 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.706 -0.276 17968 6383 1 20 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.704 1.626 17968 6384 1 20 . 1 1 27 27 ASP H H 25 7.220 7.220 7.998 -0.778 17968 6385 1 20 . 1 1 28 28 ILE N N 26 123.310 123.310 123.111 0.199 17968 6386 1 20 . 1 1 28 28 ILE HA H 26 3.900 3.900 3.966 -0.066 17968 6387 1 20 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.396 0.734 17968 6388 1 20 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.496 -0.566 17968 6389 1 20 . 1 1 28 28 ILE H H 26 7.690 7.690 7.517 0.173 17968 6390 1 20 . 1 1 29 29 ILE N N 27 130.910 130.910 129.711 1.199 17968 6391 1 20 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.237 0.123 17968 6392 1 20 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.505 -0.675 17968 6393 1 20 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.665 0.065 17968 6394 1 20 . 1 1 29 29 ILE H H 27 8.230 8.230 8.193 0.037 17968 6395 1 20 . 1 1 30 30 LEU N N 28 129.310 129.310 129.203 0.107 17968 6396 1 20 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.556 0.094 17968 6397 1 20 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.258 -0.728 17968 6398 1 20 . 1 1 30 30 LEU CB C 28 48.330 48.330 46.007 2.323 17968 6399 1 20 . 1 1 30 30 LEU H H 28 8.450 8.450 8.550 -0.100 17968 6400 1 20 . 1 1 31 31 GLU N N 29 121.810 121.810 119.079 2.731 17968 6401 1 20 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.946 -0.286 17968 6402 1 20 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.401 0.329 17968 6403 1 20 . 1 1 31 31 GLU CB C 29 32.930 32.930 31.790 1.140 17968 6404 1 20 . 1 1 31 31 GLU H H 29 8.820 8.820 8.514 0.306 17968 6405 1 20 . 1 1 32 32 CYS N N 30 125.510 125.510 120.512 4.998 17968 6406 1 20 . 1 1 32 32 CYS HA H 30 4.030 4.030 5.119 -1.089 17968 6407 1 20 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.421 -1.191 17968 6408 1 20 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.169 3.661 17968 6409 1 20 . 1 1 32 32 CYS H H 30 8.240 8.240 8.830 -0.590 17968 6410 1 20 . 1 1 33 33 VAL N N 31 132.310 132.310 126.604 5.706 17968 6411 1 20 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.156 -0.076 17968 6412 1 20 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.277 0.053 17968 6413 1 20 . 1 1 33 33 VAL CB C 31 31.630 31.630 32.076 -0.446 17968 6414 1 20 . 1 1 33 33 VAL H H 31 8.880 8.880 8.143 0.737 17968 6415 1 20 . 1 1 34 34 TYR N N 32 124.210 124.210 115.339 8.871 17968 6416 1 20 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.476 -0.026 17968 6417 1 20 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.667 0.363 17968 6418 1 20 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.602 0.428 17968 6419 1 20 . 1 1 34 34 TYR H H 32 8.620 8.620 7.396 1.224 17968 6420 1 20 . 1 1 35 35 CYS N N 33 119.810 119.810 116.120 3.690 17968 6421 1 20 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.395 0.405 17968 6422 1 20 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.077 0.253 17968 6423 1 20 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.228 5.002 17968 6424 1 20 . 1 1 35 35 CYS H H 33 8.090 8.090 7.666 0.424 17968 6425 1 20 . 1 1 36 36 LYS N N 34 119.810 119.810 116.397 3.413 17968 6426 1 20 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.176 -0.016 17968 6427 1 20 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.197 0.633 17968 6428 1 20 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.831 -1.601 17968 6429 1 20 . 1 1 36 36 LYS H H 34 7.870 7.870 7.563 0.307 17968 6430 1 20 . 1 1 37 37 GLN N N 35 120.610 120.610 116.789 3.821 17968 6431 1 20 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.586 -0.216 17968 6432 1 20 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.533 0.897 17968 6433 1 20 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.126 -0.396 17968 6434 1 20 . 1 1 37 37 GLN H H 35 8.250 8.250 8.044 0.206 17968 6435 1 20 . 1 1 38 38 GLN N N 36 123.610 123.610 122.204 1.406 17968 6436 1 20 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.261 0.099 17968 6437 1 20 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.406 0.424 17968 6438 1 20 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.991 0.439 17968 6439 1 20 . 1 1 38 38 GLN H H 36 8.630 8.630 8.549 0.081 17968 6440 1 20 . 1 1 39 39 LEU N N 37 131.410 131.410 127.054 4.356 17968 6441 1 20 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.254 -0.154 17968 6442 1 20 . 1 1 39 39 LEU CA C 37 57.230 57.230 55.252 1.978 17968 6443 1 20 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.749 -0.619 17968 6444 1 20 . 1 1 39 39 LEU H H 37 8.830 8.830 8.573 0.257 17968 6445 1 20 . 1 1 40 40 LEU N N 38 126.410 126.410 122.741 3.669 17968 6446 1 20 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.641 -0.351 17968 6447 1 20 . 1 1 40 40 LEU CA C 38 54.330 54.330 53.603 0.727 17968 6448 1 20 . 1 1 40 40 LEU CB C 38 42.930 42.930 44.495 -1.565 17968 6449 1 20 . 1 1 40 40 LEU H H 38 9.780 9.780 8.271 1.509 17968 6450 1 20 . 1 1 41 41 ARG N N 39 126.610 126.610 121.576 5.034 17968 6451 1 20 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.823 -0.373 17968 6452 1 20 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.824 -1.894 17968 6453 1 20 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.826 -2.796 17968 6454 1 20 . 1 1 41 41 ARG H H 39 8.880 8.880 8.704 0.176 17968 6455 1 20 . 1 1 42 42 ARG N N 40 116.410 116.410 118.886 -2.476 17968 6456 1 20 . 1 1 42 42 ARG HA H 40 4.000 4.000 3.951 0.049 17968 6457 1 20 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.521 -0.991 17968 6458 1 20 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.617 3.213 17968 6459 1 20 . 1 1 42 42 ARG H H 40 8.590 8.590 8.512 0.078 17968 6460 1 20 . 1 1 43 43 GLU N N 41 117.710 117.710 118.544 -0.834 17968 6461 1 20 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.223 0.037 17968 6462 1 20 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.865 0.065 17968 6463 1 20 . 1 1 43 43 GLU CB C 41 30.530 30.530 28.586 1.944 17968 6464 1 20 . 1 1 43 43 GLU H H 41 6.800 6.800 7.843 -1.043 17968 6465 1 20 . 1 1 44 44 VAL N N 42 124.710 124.710 121.299 3.411 17968 6466 1 20 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.671 -0.491 17968 6467 1 20 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.533 0.997 17968 6468 1 20 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.873 -0.543 17968 6469 1 20 . 1 1 44 44 VAL H H 42 7.760 7.760 8.167 -0.407 17968 6470 1 20 . 1 1 45 45 TYR N N 43 118.310 118.310 118.745 -0.435 17968 6471 1 20 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.304 -0.114 17968 6472 1 20 . 1 1 45 45 TYR CA C 43 59.130 59.130 58.596 0.534 17968 6473 1 20 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.426 1.304 17968 6474 1 20 . 1 1 45 45 TYR H H 43 7.600 7.600 8.033 -0.433 17968 6475 1 20 . 1 1 46 46 ASP N N 44 120.910 120.910 120.618 0.292 17968 6476 1 20 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.414 0.296 17968 6477 1 20 . 1 1 46 46 ASP CA C 44 58.030 58.030 58.258 -0.228 17968 6478 1 20 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.883 -0.053 17968 6479 1 20 . 1 1 46 46 ASP H H 44 8.660 8.660 7.878 0.782 17968 6480 1 20 . 1 1 47 47 PHE N N 45 125.310 125.310 120.384 4.926 17968 6481 1 20 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.219 -0.289 17968 6482 1 20 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.273 1.357 17968 6483 1 20 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.358 -0.327 17968 6484 1 20 . 1 1 47 47 PHE H H 45 8.250 8.250 8.167 0.083 17968 6485 1 20 . 1 1 48 48 ALA N N 46 119.710 119.710 120.616 -0.906 17968 6486 1 20 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.296 0.204 17968 6487 1 20 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.433 0.697 17968 6488 1 20 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.694 0.036 17968 6489 1 20 . 1 1 48 48 ALA H H 46 7.790 7.790 7.526 0.264 17968 6490 1 20 . 1 1 49 49 PHE N N 47 123.210 123.210 118.313 4.897 17968 6491 1 20 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.334 0.216 17968 6492 1 20 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.443 0.087 17968 6493 1 20 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.827 -0.797 17968 6494 1 20 . 1 1 49 49 PHE H H 47 9.040 9.040 8.086 0.954 17968 6495 1 20 . 1 1 50 50 ARG N N 48 119.810 119.810 117.881 1.929 17968 6496 1 20 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.482 -0.432 17968 6497 1 20 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.056 3.074 17968 6498 1 20 . 1 1 50 50 ARG CB C 48 31.030 31.030 32.262 -1.232 17968 6499 1 20 . 1 1 50 50 ARG H H 48 8.100 8.100 7.453 0.647 17968 6500 1 20 . 1 1 51 51 ASP N N 49 120.910 120.910 120.938 -0.028 17968 6501 1 20 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.627 -0.177 17968 6502 1 20 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.059 0.471 17968 6503 1 20 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.234 -0.304 17968 6504 1 20 . 1 1 51 51 ASP H H 49 8.010 8.010 8.566 -0.556 17968 6505 1 20 . 1 1 52 52 LEU N N 50 118.510 118.510 123.441 -4.931 17968 6506 1 20 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.489 -0.319 17968 6507 1 20 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.566 0.663 17968 6508 1 20 . 1 1 52 52 LEU CB C 50 41.230 41.230 45.412 -4.182 17968 6509 1 20 . 1 1 52 52 LEU H H 50 6.720 6.720 7.730 -1.010 17968 6510 1 20 . 1 1 53 53 CYS N N 51 117.410 117.410 118.585 -1.175 17968 6511 1 20 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.345 -0.434 17968 6512 1 20 . 1 1 53 53 CYS CA C 51 58.730 58.730 57.344 1.386 17968 6513 1 20 . 1 1 53 53 CYS CB C 51 28.730 28.730 31.841 -3.111 17968 6514 1 20 . 1 1 53 53 CYS H H 51 8.030 8.030 8.458 -0.428 17968 6515 1 20 . 1 1 54 54 ILE N N 52 125.110 125.110 123.690 1.420 17968 6516 1 20 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.266 -0.276 17968 6517 1 20 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.967 -2.037 17968 6518 1 20 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.583 -0.853 17968 6519 1 20 . 1 1 54 54 ILE H H 52 8.450 8.450 8.579 -0.129 17968 6520 1 20 . 1 1 55 55 VAL N N 53 127.010 127.010 123.712 3.298 17968 6521 1 20 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.449 -0.099 17968 6522 1 20 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.094 -0.464 17968 6523 1 20 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.263 1.967 17968 6524 1 20 . 1 1 55 55 VAL H H 53 8.120 8.120 8.221 -0.101 17968 6525 1 20 . 1 1 56 56 TYR N N 54 125.010 125.010 128.076 -3.066 17968 6526 1 20 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.098 0.282 17968 6527 1 20 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.641 -0.210 17968 6528 1 20 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.115 1.915 17968 6529 1 20 . 1 1 56 56 TYR H H 54 8.710 8.710 8.836 -0.126 17968 6530 1 20 . 1 1 57 57 ARG N N 55 123.810 123.810 126.330 -2.520 17968 6531 1 20 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.364 0.266 17968 6532 1 20 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.616 -0.286 17968 6533 1 20 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.063 2.767 17968 6534 1 20 . 1 1 57 57 ARG H H 55 8.860 8.860 8.494 0.366 17968 6535 1 20 . 1 1 58 58 ASP N N 56 129.110 129.110 126.423 2.687 17968 6536 1 20 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.291 0.009 17968 6537 1 20 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.467 -0.737 17968 6538 1 20 . 1 1 58 58 ASP CB C 56 40.130 40.130 39.902 0.228 17968 6539 1 20 . 1 1 58 58 ASP H H 56 9.630 9.630 8.971 0.659 17968 6540 1 20 . 1 1 59 59 GLY N N 57 104.510 104.510 108.078 -3.568 17968 6541 1 20 . 1 1 59 59 GLY CA C 57 45.630 45.630 44.954 0.676 17968 6542 1 20 . 1 1 59 59 GLY H H 57 8.710 8.710 8.397 0.313 17968 6543 1 20 . 1 1 60 60 ASN N N 58 122.110 122.110 119.192 2.918 17968 6544 1 20 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.165 0.215 17968 6545 1 20 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.113 0.217 17968 6546 1 20 . 1 1 60 60 ASN CB C 58 40.430 40.430 41.502 -1.073 17968 6547 1 20 . 1 1 60 60 ASN H H 58 8.130 8.130 7.926 0.204 17968 6548 1 20 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.392 0.378 17968 6549 1 20 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.524 -0.494 17968 6550 1 20 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.046 2.384 17968 6551 1 20 . 1 1 62 62 TYR N N 60 119.910 119.910 123.535 -3.625 17968 6552 1 20 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.719 -0.369 17968 6553 1 20 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.781 1.349 17968 6554 1 20 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.578 0.852 17968 6555 1 20 . 1 1 62 62 TYR H H 60 8.580 8.580 8.200 0.380 17968 6556 1 20 . 1 1 63 63 ALA N N 61 123.710 123.710 121.132 2.578 17968 6557 1 20 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.689 -0.309 17968 6558 1 20 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.165 0.165 17968 6559 1 20 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.727 -1.497 17968 6560 1 20 . 1 1 63 63 ALA H H 61 7.980 7.980 8.840 -0.860 17968 6561 1 20 . 1 1 64 64 VAL N N 62 120.610 120.610 119.328 1.282 17968 6562 1 20 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.266 1.214 17968 6563 1 20 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.791 -0.461 17968 6564 1 20 . 1 1 64 64 VAL CB C 62 36.230 36.230 32.567 3.663 17968 6565 1 20 . 1 1 64 64 VAL H H 62 6.330 6.330 8.442 -2.112 17968 6566 1 20 . 1 1 65 65 CYS N N 63 130.310 130.310 124.537 5.773 17968 6567 1 20 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.686 -0.126 17968 6568 1 20 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.164 1.266 17968 6569 1 20 . 1 1 65 65 CYS CB C 63 31.030 31.030 30.116 0.914 17968 6570 1 20 . 1 1 65 65 CYS H H 63 9.420 9.420 8.681 0.739 17968 6571 1 20 . 1 1 66 66 ASP N N 64 121.110 121.110 119.946 1.164 17968 6572 1 20 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.447 -0.037 17968 6573 1 20 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.608 0.822 17968 6574 1 20 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.966 1.564 17968 6575 1 20 . 1 1 66 66 ASP H H 64 9.040 9.040 8.996 0.044 17968 6576 1 20 . 1 1 67 67 LYS N N 65 121.910 121.910 119.670 2.240 17968 6577 1 20 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.381 -0.391 17968 6578 1 20 . 1 1 67 67 LYS CA C 65 60.130 60.130 58.904 1.226 17968 6579 1 20 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.850 -0.020 17968 6580 1 20 . 1 1 67 67 LYS H H 65 8.330 8.330 7.575 0.755 17968 6581 1 20 . 1 1 68 68 CYS N N 66 125.510 125.510 119.700 5.810 17968 6582 1 20 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.508 -0.398 17968 6583 1 20 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.859 1.871 17968 6584 1 20 . 1 1 68 68 CYS CB C 66 30.630 30.630 25.812 4.818 17968 6585 1 20 . 1 1 68 68 CYS H H 66 8.690 8.690 7.892 0.798 17968 6586 1 20 . 1 1 69 69 LEU N N 67 125.110 125.110 121.499 3.611 17968 6587 1 20 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.148 -0.118 17968 6588 1 20 . 1 1 69 69 LEU CA C 67 58.630 58.630 57.974 0.656 17968 6589 1 20 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.143 0.087 17968 6590 1 20 . 1 1 69 69 LEU H H 67 8.460 8.460 8.261 0.199 17968 6591 1 20 . 1 1 70 70 LYS N N 68 119.210 119.210 118.048 1.162 17968 6592 1 20 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.144 -0.164 17968 6593 1 20 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.337 0.693 17968 6594 1 20 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.339 -0.109 17968 6595 1 20 . 1 1 70 70 LYS H H 68 7.830 7.830 7.839 -0.009 17968 6596 1 20 . 1 1 71 71 PHE N N 69 121.710 121.710 118.764 2.946 17968 6597 1 20 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.201 0.069 17968 6598 1 20 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.399 -0.269 17968 6599 1 20 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.506 -0.076 17968 6600 1 20 . 1 1 71 71 PHE H H 69 7.810 7.810 7.409 0.401 17968 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 64 3.379 -1.806 2.879 17968 2 1 1 "Average Difference" HA 69 0.320 0.070 0.314 17968 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17968 4 1 1 "Average Difference" CA 68 1.125 -0.268 1.101 17968 5 1 1 "Average Difference" CB 67 1.657 -0.574 1.566 17968 6 1 1 "Average Difference" HN 64 0.636 -0.051 0.639 17968 7 1 2 "Average Difference" N 64 3.600 -1.896 3.084 17968 8 1 2 "Average Difference" HA 69 0.319 0.048 0.318 17968 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17968 10 1 2 "Average Difference" CA 68 1.033 -0.226 1.016 17968 11 1 2 "Average Difference" CB 67 1.745 -0.705 1.608 17968 12 1 2 "Average Difference" HN 64 0.575 -0.096 0.572 17968 13 1 3 "Average Difference" N 64 3.649 -2.067 3.031 17968 14 1 3 "Average Difference" HA 69 0.346 0.054 0.344 17968 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17968 16 1 3 "Average Difference" CA 68 0.993 -0.275 0.961 17968 17 1 3 "Average Difference" CB 67 1.594 -0.583 1.495 17968 18 1 3 "Average Difference" HN 64 0.611 -0.118 0.604 17968 19 1 4 "Average Difference" N 64 3.394 -1.912 2.827 17968 20 1 4 "Average Difference" HA 69 0.289 0.054 0.286 17968 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17968 22 1 4 "Average Difference" CA 68 1.010 -0.288 0.975 17968 23 1 4 "Average Difference" CB 67 1.627 -0.524 1.551 17968 24 1 4 "Average Difference" HN 64 0.644 -0.104 0.640 17968 25 1 5 "Average Difference" N 64 3.581 -2.003 2.992 17968 26 1 5 "Average Difference" HA 69 0.286 0.048 0.283 17968 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17968 28 1 5 "Average Difference" CA 68 1.062 -0.168 1.056 17968 29 1 5 "Average Difference" CB 67 1.622 -0.643 1.500 17968 30 1 5 "Average Difference" HN 64 0.595 -0.114 0.589 17968 31 1 6 "Average Difference" N 64 3.397 -1.764 2.926 17968 32 1 6 "Average Difference" HA 69 0.290 0.069 0.284 17968 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17968 34 1 6 "Average Difference" CA 68 1.080 -0.302 1.045 17968 35 1 6 "Average Difference" CB 67 1.707 -0.486 1.649 17968 36 1 6 "Average Difference" HN 64 0.603 -0.065 0.604 17968 37 1 7 "Average Difference" N 64 3.516 -1.992 2.920 17968 38 1 7 "Average Difference" HA 69 0.318 0.069 0.313 17968 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17968 40 1 7 "Average Difference" CA 68 1.075 -0.227 1.059 17968 41 1 7 "Average Difference" CB 67 1.633 -0.559 1.546 17968 42 1 7 "Average Difference" HN 64 0.649 -0.060 0.651 17968 43 1 8 "Average Difference" N 64 3.659 -2.027 3.071 17968 44 1 8 "Average Difference" HA 69 0.315 0.078 0.307 17968 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17968 46 1 8 "Average Difference" CA 68 0.969 -0.207 0.953 17968 47 1 8 "Average Difference" CB 67 1.676 -0.532 1.601 17968 48 1 8 "Average Difference" HN 64 0.628 -0.127 0.620 17968 49 1 9 "Average Difference" N 64 3.422 -1.858 2.897 17968 50 1 9 "Average Difference" HA 69 0.281 0.082 0.271 17968 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17968 52 1 9 "Average Difference" CA 68 1.031 -0.182 1.023 17968 53 1 9 "Average Difference" CB 67 1.617 -0.454 1.563 17968 54 1 9 "Average Difference" HN 64 0.657 -0.078 0.658 17968 55 1 10 "Average Difference" N 64 3.336 -1.856 2.795 17968 56 1 10 "Average Difference" HA 69 0.301 0.053 0.298 17968 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17968 58 1 10 "Average Difference" CA 68 0.993 -0.232 0.972 17968 59 1 10 "Average Difference" CB 67 1.687 -0.529 1.614 17968 60 1 10 "Average Difference" HN 64 0.624 -0.100 0.621 17968 61 1 11 "Average Difference" N 64 3.614 -2.003 3.033 17968 62 1 11 "Average Difference" HA 69 0.291 0.057 0.288 17968 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17968 64 1 11 "Average Difference" CA 68 1.062 -0.352 1.010 17968 65 1 11 "Average Difference" CB 67 1.557 -0.450 1.502 17968 66 1 11 "Average Difference" HN 64 0.585 -0.084 0.583 17968 67 1 12 "Average Difference" N 64 3.652 -1.887 3.151 17968 68 1 12 "Average Difference" HA 69 0.302 0.044 0.301 17968 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17968 70 1 12 "Average Difference" CA 68 1.053 -0.187 1.044 17968 71 1 12 "Average Difference" CB 67 1.713 -0.645 1.599 17968 72 1 12 "Average Difference" HN 64 0.608 -0.114 0.602 17968 73 1 13 "Average Difference" N 64 3.483 -1.894 2.946 17968 74 1 13 "Average Difference" HA 69 0.313 0.087 0.303 17968 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17968 76 1 13 "Average Difference" CA 68 1.044 -0.195 1.033 17968 77 1 13 "Average Difference" CB 67 1.726 -0.502 1.664 17968 78 1 13 "Average Difference" HN 64 0.605 -0.103 0.601 17968 79 1 14 "Average Difference" N 64 3.475 -1.768 3.015 17968 80 1 14 "Average Difference" HA 69 0.299 0.053 0.297 17968 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17968 82 1 14 "Average Difference" CA 68 1.073 -0.285 1.043 17968 83 1 14 "Average Difference" CB 67 1.644 -0.556 1.558 17968 84 1 14 "Average Difference" HN 64 0.629 -0.061 0.631 17968 85 1 15 "Average Difference" N 64 3.721 -1.990 3.169 17968 86 1 15 "Average Difference" HA 69 0.322 0.060 0.318 17968 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17968 88 1 15 "Average Difference" CA 68 1.064 -0.323 1.021 17968 89 1 15 "Average Difference" CB 67 1.595 -0.516 1.521 17968 90 1 15 "Average Difference" HN 64 0.610 -0.109 0.605 17968 91 1 16 "Average Difference" N 64 3.416 -1.943 2.832 17968 92 1 16 "Average Difference" HA 69 0.309 0.043 0.309 17968 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17968 94 1 16 "Average Difference" CA 68 1.124 -0.237 1.107 17968 95 1 16 "Average Difference" CB 67 1.653 -0.611 1.547 17968 96 1 16 "Average Difference" HN 64 0.583 -0.082 0.581 17968 97 1 17 "Average Difference" N 64 3.423 -1.975 2.819 17968 98 1 17 "Average Difference" HA 69 0.320 0.096 0.307 17968 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17968 100 1 17 "Average Difference" CA 68 1.104 -0.272 1.078 17968 101 1 17 "Average Difference" CB 67 1.640 -0.441 1.592 17968 102 1 17 "Average Difference" HN 64 0.623 -0.058 0.626 17968 103 1 18 "Average Difference" N 64 3.272 -1.892 2.691 17968 104 1 18 "Average Difference" HA 69 0.297 0.047 0.295 17968 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17968 106 1 18 "Average Difference" CA 68 1.000 -0.237 0.978 17968 107 1 18 "Average Difference" CB 67 1.606 -0.461 1.550 17968 108 1 18 "Average Difference" HN 64 0.607 -0.091 0.604 17968 109 1 19 "Average Difference" N 64 3.501 -1.809 3.021 17968 110 1 19 "Average Difference" HA 69 0.300 0.068 0.294 17968 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17968 112 1 19 "Average Difference" CA 68 1.061 -0.286 1.029 17968 113 1 19 "Average Difference" CB 67 1.732 -0.514 1.667 17968 114 1 19 "Average Difference" HN 64 0.625 -0.126 0.617 17968 115 1 20 "Average Difference" N 64 3.342 -1.734 2.880 17968 116 1 20 "Average Difference" HA 69 0.313 0.075 0.307 17968 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17968 118 1 20 "Average Difference" CA 68 1.012 -0.283 0.978 17968 119 1 20 "Average Difference" CB 67 1.776 -0.455 1.729 17968 120 1 20 "Average Difference" HN 64 0.636 -0.072 0.637 17968 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 17968 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 4 4 PHE N N 2 122.310 122.310 123.119 -0.809 17968 2 1 . 1 1 4 4 PHE HA H 2 4.620 4.620 4.869 -0.249 17968 3 1 . 1 1 4 4 PHE CA C 2 57.330 57.330 57.949 -0.619 17968 4 1 . 1 1 4 4 PHE CB C 2 39.430 39.430 41.119 -1.689 17968 5 1 . 1 1 4 4 PHE H H 2 8.370 8.370 8.667 -0.297 17968 6 1 . 1 1 5 5 GLN N N 3 123.510 123.510 122.542 0.968 17968 7 1 . 1 1 5 5 GLN HA H 3 4.190 4.190 4.522 -0.332 17968 8 1 . 1 1 5 5 GLN CA C 3 56.030 56.030 54.274 1.756 17968 9 1 . 1 1 5 5 GLN CB C 3 29.930 29.930 30.639 -0.709 17968 10 1 . 1 1 5 5 GLN H H 3 8.250 8.250 8.200 0.050 17968 11 1 . 1 1 6 6 ASP N N 4 125.010 125.010 119.654 5.356 17968 12 1 . 1 1 6 6 ASP HA H 4 4.840 4.840 4.595 0.245 17968 13 1 . 1 1 6 6 ASP CA C 4 52.030 52.030 53.132 -1.102 17968 14 1 . 1 1 6 6 ASP CB C 4 41.730 41.730 41.383 0.347 17968 15 1 . 1 1 6 6 ASP H H 4 8.410 8.410 8.404 0.006 17968 16 1 . 1 1 7 7 PRO HA H 5 4.120 4.120 4.456 -0.336 17968 17 1 . 1 1 7 7 PRO CA C 5 64.130 64.130 63.258 0.872 17968 18 1 . 1 1 7 7 PRO CB C 5 32.330 32.330 32.192 0.138 17968 19 1 . 1 1 8 8 GLN N N 6 119.710 119.710 118.890 0.820 17968 20 1 . 1 1 8 8 GLN HA H 6 4.150 4.150 4.223 -0.073 17968 21 1 . 1 1 8 8 GLN CA C 6 56.630 56.630 55.938 0.692 17968 22 1 . 1 1 8 8 GLN CB C 6 29.330 29.330 27.973 1.357 17968 23 1 . 1 1 8 8 GLN H H 6 8.430 8.430 7.661 0.769 17968 24 1 . 1 1 9 9 GLU N N 7 122.110 122.110 123.086 -0.976 17968 25 1 . 1 1 9 9 GLU HA H 7 4.180 4.180 4.167 0.013 17968 26 1 . 1 1 9 9 GLU CA C 7 56.130 56.130 56.223 -0.093 17968 27 1 . 1 1 9 9 GLU CB C 7 30.530 30.530 30.299 0.231 17968 28 1 . 1 1 9 9 GLU H H 7 7.940 7.940 8.756 -0.816 17968 29 1 . 1 1 10 10 ARG N N 8 123.410 123.410 116.701 6.709 17968 30 1 . 1 1 10 10 ARG HA H 8 4.410 4.410 4.177 0.233 17968 31 1 . 1 1 10 10 ARG CA C 8 54.130 54.130 55.417 -1.287 17968 32 1 . 1 1 10 10 ARG CB C 8 29.330 29.330 27.986 1.344 17968 33 1 . 1 1 10 10 ARG H H 8 7.670 7.670 8.286 -0.616 17968 34 1 . 1 1 11 11 PRO HA H 9 4.340 4.340 4.574 -0.234 17968 35 1 . 1 1 11 11 PRO CA C 9 63.530 63.530 62.477 1.053 17968 36 1 . 1 1 11 11 PRO CB C 9 32.630 32.630 32.790 -0.160 17968 37 1 . 1 1 12 12 ARG N N 10 123.810 123.810 119.171 4.639 17968 38 1 . 1 1 12 12 ARG HA H 10 4.660 4.660 4.642 0.018 17968 39 1 . 1 1 12 12 ARG CA C 10 56.830 56.830 56.038 0.792 17968 40 1 . 1 1 12 12 ARG CB C 10 32.530 32.530 30.854 1.676 17968 41 1 . 1 1 12 12 ARG H H 10 8.700 8.700 8.711 -0.011 17968 42 1 . 1 1 13 13 LYS N N 11 118.310 118.310 118.982 -0.672 17968 43 1 . 1 1 13 13 LYS HA H 11 5.050 5.050 4.713 0.337 17968 44 1 . 1 1 13 13 LYS CA C 11 53.230 53.230 54.148 -0.918 17968 45 1 . 1 1 13 13 LYS CB C 11 35.630 35.630 34.201 1.429 17968 46 1 . 1 1 13 13 LYS H H 11 7.810 7.810 7.641 0.169 17968 47 1 . 1 1 14 14 LEU N N 12 124.810 124.810 127.606 -2.796 17968 48 1 . 1 1 14 14 LEU HA H 12 4.150 4.150 4.244 -0.095 17968 49 1 . 1 1 14 14 LEU CA C 12 59.630 59.630 59.745 -0.115 17968 50 1 . 1 1 14 14 LEU CB C 12 40.530 40.530 39.895 0.635 17968 51 1 . 1 1 14 14 LEU H H 12 10.210 10.210 9.229 0.981 17968 52 1 . 1 1 15 15 PRO HA H 13 4.170 4.170 4.153 0.017 17968 53 1 . 1 1 15 15 PRO CA C 13 67.330 67.330 65.826 1.504 17968 54 1 . 1 1 15 15 PRO CB C 13 30.530 30.530 30.975 -0.445 17968 55 1 . 1 1 16 16 GLN N N 14 117.710 117.710 116.882 0.828 17968 56 1 . 1 1 16 16 GLN HA H 14 4.160 4.160 4.196 -0.036 17968 57 1 . 1 1 16 16 GLN CA C 14 59.130 59.130 58.287 0.843 17968 58 1 . 1 1 16 16 GLN CB C 14 28.630 28.630 28.629 0.001 17968 59 1 . 1 1 16 16 GLN H H 14 7.100 7.100 7.819 -0.719 17968 60 1 . 1 1 17 17 LEU N N 15 124.610 124.610 122.324 2.286 17968 61 1 . 1 1 17 17 LEU HA H 15 4.000 4.000 4.139 -0.139 17968 62 1 . 1 1 17 17 LEU CA C 15 58.630 58.630 57.895 0.735 17968 63 1 . 1 1 17 17 LEU CB C 15 42.030 42.030 41.741 0.289 17968 64 1 . 1 1 17 17 LEU H H 15 8.020 8.020 8.022 -0.002 17968 65 1 . 1 1 18 18 CYS N N 16 117.210 117.210 116.596 0.614 17968 66 1 . 1 1 18 18 CYS HA H 16 3.730 3.730 4.086 -0.356 17968 67 1 . 1 1 18 18 CYS CA C 16 64.830 64.830 63.517 1.313 17968 68 1 . 1 1 18 18 CYS CB C 16 26.230 26.230 26.186 0.044 17968 69 1 . 1 1 18 18 CYS H H 16 8.410 8.410 8.241 0.169 17968 70 1 . 1 1 19 19 THR N N 17 117.710 117.710 115.754 1.956 17968 71 1 . 1 1 19 19 THR HA H 17 3.990 3.990 4.107 -0.117 17968 72 1 . 1 1 19 19 THR CA C 17 66.830 66.830 66.492 0.338 17968 73 1 . 1 1 19 19 THR CB C 17 68.830 68.830 68.483 0.346 17968 74 1 . 1 1 19 19 THR H H 17 7.670 7.670 7.664 0.006 17968 75 1 . 1 1 20 20 GLU N N 18 125.410 125.410 121.103 4.307 17968 76 1 . 1 1 20 20 GLU HA H 18 4.060 4.060 4.215 -0.155 17968 77 1 . 1 1 20 20 GLU CA C 18 59.830 59.830 58.937 0.894 17968 78 1 . 1 1 20 20 GLU CB C 18 29.630 29.630 29.502 0.128 17968 79 1 . 1 1 20 20 GLU H H 18 7.980 7.980 7.793 0.187 17968 80 1 . 1 1 21 21 LEU N N 19 118.810 118.810 118.003 0.807 17968 81 1 . 1 1 21 21 LEU HA H 19 4.290 4.290 4.408 -0.118 17968 82 1 . 1 1 21 21 LEU CA C 19 54.930 54.930 55.140 -0.210 17968 83 1 . 1 1 21 21 LEU CB C 19 42.230 42.230 42.504 -0.274 17968 84 1 . 1 1 21 21 LEU H H 19 7.990 7.990 7.802 0.188 17968 85 1 . 1 1 22 22 GLN N N 20 118.310 118.310 116.304 2.006 17968 86 1 . 1 1 22 22 GLN HA H 20 3.940 3.940 4.043 -0.103 17968 87 1 . 1 1 22 22 GLN CA C 20 56.630 56.630 57.132 -0.502 17968 88 1 . 1 1 22 22 GLN CB C 20 26.130 26.130 26.251 -0.121 17968 89 1 . 1 1 22 22 GLN H H 20 7.850 7.850 7.692 0.159 17968 90 1 . 1 1 23 23 THR N N 21 115.810 115.810 112.920 2.890 17968 91 1 . 1 1 23 23 THR HA H 21 4.920 4.920 4.742 0.178 17968 92 1 . 1 1 23 23 THR CA C 21 58.730 58.730 60.540 -1.810 17968 93 1 . 1 1 23 23 THR CB C 21 70.330 70.330 70.548 -0.218 17968 94 1 . 1 1 23 23 THR H H 21 8.210 8.210 8.436 -0.226 17968 95 1 . 1 1 24 24 THR N N 22 112.810 112.810 112.737 0.073 17968 96 1 . 1 1 24 24 THR HA H 22 4.860 4.860 4.812 0.048 17968 97 1 . 1 1 24 24 THR CA C 22 59.830 59.830 59.990 -0.161 17968 98 1 . 1 1 24 24 THR CB C 22 74.030 74.030 70.981 3.049 17968 99 1 . 1 1 24 24 THR H H 22 8.620 8.620 8.050 0.570 17968 100 1 . 1 1 25 25 ILE N N 23 124.310 124.310 117.989 6.321 17968 101 1 . 1 1 25 25 ILE HA H 23 3.660 3.660 3.874 -0.214 17968 102 1 . 1 1 25 25 ILE CA C 23 62.730 62.730 62.967 -0.237 17968 103 1 . 1 1 25 25 ILE CB C 23 38.230 38.230 37.656 0.574 17968 104 1 . 1 1 25 25 ILE H H 23 9.020 9.020 8.465 0.555 17968 105 1 . 1 1 26 26 HIS N N 24 119.210 119.210 114.189 5.021 17968 106 1 . 1 1 26 26 HIS HA H 24 4.380 4.380 4.802 -0.422 17968 107 1 . 1 1 26 26 HIS CA C 24 56.430 56.430 56.820 -0.390 17968 108 1 . 1 1 26 26 HIS CB C 24 30.730 30.730 30.038 0.692 17968 109 1 . 1 1 26 26 HIS H H 24 6.870 6.870 7.726 -0.856 17968 110 1 . 1 1 27 27 ASP N N 25 116.510 116.510 118.750 -2.240 17968 111 1 . 1 1 27 27 ASP HA H 25 4.750 4.750 4.703 0.047 17968 112 1 . 1 1 27 27 ASP CA C 25 54.430 54.430 54.204 0.226 17968 113 1 . 1 1 27 27 ASP CB C 25 44.330 44.330 42.881 1.449 17968 114 1 . 1 1 27 27 ASP H H 25 7.220 7.220 7.678 -0.458 17968 115 1 . 1 1 28 28 ILE N N 26 123.310 123.310 122.117 1.193 17968 116 1 . 1 1 28 28 ILE HA H 26 3.900 3.900 4.002 -0.102 17968 117 1 . 1 1 28 28 ILE CA C 26 63.130 63.130 62.275 0.855 17968 118 1 . 1 1 28 28 ILE CB C 26 37.930 37.930 38.610 -0.680 17968 119 1 . 1 1 28 28 ILE H H 26 7.690 7.690 7.712 -0.022 17968 120 1 . 1 1 29 29 ILE N N 27 130.910 130.910 129.302 1.608 17968 121 1 . 1 1 29 29 ILE HA H 27 4.360 4.360 4.193 0.167 17968 122 1 . 1 1 29 29 ILE CA C 27 58.830 58.830 59.404 -0.574 17968 123 1 . 1 1 29 29 ILE CB C 27 37.730 37.730 37.177 0.553 17968 124 1 . 1 1 29 29 ILE H H 27 8.230 8.230 8.234 -0.004 17968 125 1 . 1 1 30 30 LEU N N 28 129.310 129.310 128.573 0.737 17968 126 1 . 1 1 30 30 LEU HA H 28 4.650 4.650 4.546 0.104 17968 127 1 . 1 1 30 30 LEU CA C 28 52.530 52.530 53.517 -0.987 17968 128 1 . 1 1 30 30 LEU CB C 28 48.330 48.330 45.609 2.721 17968 129 1 . 1 1 30 30 LEU H H 28 8.450 8.450 8.442 0.008 17968 130 1 . 1 1 31 31 GLU N N 29 121.810 121.810 119.363 2.447 17968 131 1 . 1 1 31 31 GLU HA H 29 4.660 4.660 4.985 -0.325 17968 132 1 . 1 1 31 31 GLU CA C 29 53.730 53.730 53.733 -0.003 17968 133 1 . 1 1 31 31 GLU CB C 29 32.930 32.930 32.344 0.586 17968 134 1 . 1 1 31 31 GLU H H 29 8.820 8.820 8.442 0.378 17968 135 1 . 1 1 32 32 CYS N N 30 125.510 125.510 121.593 3.917 17968 136 1 . 1 1 32 32 CYS HA H 30 4.030 4.030 4.985 -0.955 17968 137 1 . 1 1 32 32 CYS CA C 30 58.230 58.230 59.473 -1.243 17968 138 1 . 1 1 32 32 CYS CB C 30 31.830 31.830 28.023 3.807 17968 139 1 . 1 1 32 32 CYS H H 30 8.240 8.240 8.782 -0.542 17968 140 1 . 1 1 33 33 VAL N N 31 132.310 132.310 127.118 5.192 17968 141 1 . 1 1 33 33 VAL HA H 31 3.080 3.080 3.296 -0.216 17968 142 1 . 1 1 33 33 VAL CA C 31 64.330 64.330 64.664 -0.334 17968 143 1 . 1 1 33 33 VAL CB C 31 31.630 31.630 31.925 -0.295 17968 144 1 . 1 1 33 33 VAL H H 31 8.880 8.880 8.395 0.485 17968 145 1 . 1 1 34 34 TYR N N 32 124.210 124.210 116.403 7.807 17968 146 1 . 1 1 34 34 TYR HA H 32 4.450 4.450 4.517 -0.067 17968 147 1 . 1 1 34 34 TYR CA C 32 61.030 61.030 60.425 0.605 17968 148 1 . 1 1 34 34 TYR CB C 32 40.030 40.030 39.055 0.975 17968 149 1 . 1 1 34 34 TYR H H 32 8.620 8.620 7.443 1.177 17968 150 1 . 1 1 35 35 CYS N N 33 119.810 119.810 115.467 4.343 17968 151 1 . 1 1 35 35 CYS HA H 33 4.800 4.800 4.459 0.341 17968 152 1 . 1 1 35 35 CYS CA C 33 59.330 59.330 59.093 0.237 17968 153 1 . 1 1 35 35 CYS CB C 33 32.230 32.230 27.411 4.819 17968 154 1 . 1 1 35 35 CYS H H 33 8.090 8.090 7.803 0.287 17968 155 1 . 1 1 36 36 LYS N N 34 119.810 119.810 116.465 3.345 17968 156 1 . 1 1 36 36 LYS HA H 34 4.160 4.160 4.147 0.013 17968 157 1 . 1 1 36 36 LYS CA C 34 57.830 57.830 57.106 0.724 17968 158 1 . 1 1 36 36 LYS CB C 34 29.230 29.230 30.535 -1.305 17968 159 1 . 1 1 36 36 LYS H H 34 7.870 7.870 7.898 -0.028 17968 160 1 . 1 1 37 37 GLN N N 35 120.610 120.610 116.958 3.652 17968 161 1 . 1 1 37 37 GLN HA H 35 4.370 4.370 4.452 -0.082 17968 162 1 . 1 1 37 37 GLN CA C 35 55.430 55.430 54.953 0.477 17968 163 1 . 1 1 37 37 GLN CB C 35 29.730 29.730 30.002 -0.272 17968 164 1 . 1 1 37 37 GLN H H 35 8.250 8.250 7.952 0.298 17968 165 1 . 1 1 38 38 GLN N N 36 123.610 123.610 122.586 1.023 17968 166 1 . 1 1 38 38 GLN HA H 36 4.360 4.360 4.260 0.100 17968 167 1 . 1 1 38 38 GLN CA C 36 56.830 56.830 56.355 0.475 17968 168 1 . 1 1 38 38 GLN CB C 36 29.430 29.430 28.957 0.473 17968 169 1 . 1 1 38 38 GLN H H 36 8.630 8.630 8.558 0.072 17968 170 1 . 1 1 39 39 LEU N N 37 131.410 131.410 127.101 4.309 17968 171 1 . 1 1 39 39 LEU HA H 37 4.100 4.100 4.300 -0.200 17968 172 1 . 1 1 39 39 LEU CA C 37 57.230 57.230 54.868 2.362 17968 173 1 . 1 1 39 39 LEU CB C 37 42.130 42.130 42.598 -0.468 17968 174 1 . 1 1 39 39 LEU H H 37 8.830 8.830 8.518 0.312 17968 175 1 . 1 1 40 40 LEU N N 38 126.410 126.410 122.807 3.603 17968 176 1 . 1 1 40 40 LEU HA H 38 4.290 4.290 4.377 -0.086 17968 177 1 . 1 1 40 40 LEU CA C 38 54.330 54.330 54.299 0.031 17968 178 1 . 1 1 40 40 LEU CB C 38 42.930 42.930 43.025 -0.095 17968 179 1 . 1 1 40 40 LEU H H 38 9.780 9.780 8.263 1.517 17968 180 1 . 1 1 41 41 ARG N N 39 126.610 126.610 121.467 5.143 17968 181 1 . 1 1 41 41 ARG HA H 39 3.450 3.450 3.718 -0.268 17968 182 1 . 1 1 41 41 ARG CA C 39 57.930 57.930 59.139 -1.209 17968 183 1 . 1 1 41 41 ARG CB C 39 27.030 27.030 29.698 -2.668 17968 184 1 . 1 1 41 41 ARG H H 39 8.880 8.880 8.701 0.179 17968 185 1 . 1 1 42 42 ARG N N 40 116.410 116.410 118.949 -2.539 17968 186 1 . 1 1 42 42 ARG HA H 40 4.000 4.000 4.013 -0.013 17968 187 1 . 1 1 42 42 ARG CA C 40 58.530 58.530 59.260 -0.730 17968 188 1 . 1 1 42 42 ARG CB C 40 32.830 32.830 29.703 3.127 17968 189 1 . 1 1 42 42 ARG H H 40 8.590 8.590 8.485 0.105 17968 190 1 . 1 1 43 43 GLU N N 41 117.710 117.710 118.479 -0.769 17968 191 1 . 1 1 43 43 GLU HA H 41 4.260 4.260 4.200 0.060 17968 192 1 . 1 1 43 43 GLU CA C 41 58.930 58.930 58.593 0.337 17968 193 1 . 1 1 43 43 GLU CB C 41 30.530 30.530 29.014 1.516 17968 194 1 . 1 1 43 43 GLU H H 41 6.800 6.800 7.799 -0.999 17968 195 1 . 1 1 44 44 VAL N N 42 124.710 124.710 120.672 4.038 17968 196 1 . 1 1 44 44 VAL HA H 42 3.180 3.180 3.625 -0.445 17968 197 1 . 1 1 44 44 VAL CA C 42 67.530 67.530 66.288 1.242 17968 198 1 . 1 1 44 44 VAL CB C 42 31.330 31.330 31.302 0.028 17968 199 1 . 1 1 44 44 VAL H H 42 7.760 7.760 7.758 0.002 17968 200 1 . 1 1 45 45 TYR N N 43 118.310 118.310 118.539 -0.229 17968 201 1 . 1 1 45 45 TYR HA H 43 4.190 4.190 4.246 -0.056 17968 202 1 . 1 1 45 45 TYR CA C 43 59.130 59.130 59.130 -0.001 17968 203 1 . 1 1 45 45 TYR CB C 43 38.730 38.730 37.202 1.528 17968 204 1 . 1 1 45 45 TYR H H 43 7.600 7.600 7.698 -0.098 17968 205 1 . 1 1 46 46 ASP N N 44 120.910 120.910 120.195 0.715 17968 206 1 . 1 1 46 46 ASP HA H 44 4.710 4.710 4.447 0.263 17968 207 1 . 1 1 46 46 ASP CA C 44 58.030 58.030 57.442 0.588 17968 208 1 . 1 1 46 46 ASP CB C 44 40.830 40.830 40.690 0.140 17968 209 1 . 1 1 46 46 ASP H H 44 8.660 8.660 7.812 0.848 17968 210 1 . 1 1 47 47 PHE N N 45 125.310 125.310 120.041 5.269 17968 211 1 . 1 1 47 47 PHE HA H 45 3.930 3.930 4.202 -0.272 17968 212 1 . 1 1 47 47 PHE CA C 45 62.630 62.630 61.385 1.245 17968 213 1 . 1 1 47 47 PHE CB C 45 39.030 39.030 39.278 -0.248 17968 214 1 . 1 1 47 47 PHE H H 45 8.250 8.250 8.039 0.211 17968 215 1 . 1 1 48 48 ALA N N 46 119.710 119.710 120.772 -1.062 17968 216 1 . 1 1 48 48 ALA HA H 46 4.500 4.500 4.251 0.249 17968 217 1 . 1 1 48 48 ALA CA C 46 54.130 54.130 53.723 0.407 17968 218 1 . 1 1 48 48 ALA CB C 46 18.730 18.730 18.618 0.112 17968 219 1 . 1 1 48 48 ALA H H 46 7.790 7.790 7.624 0.166 17968 220 1 . 1 1 49 49 PHE N N 47 123.210 123.210 118.546 4.664 17968 221 1 . 1 1 49 49 PHE HA H 47 4.550 4.550 4.347 0.203 17968 222 1 . 1 1 49 49 PHE CA C 47 60.530 60.530 60.435 0.095 17968 223 1 . 1 1 49 49 PHE CB C 47 39.030 39.030 39.759 -0.729 17968 224 1 . 1 1 49 49 PHE H H 47 9.040 9.040 7.954 1.086 17968 225 1 . 1 1 50 50 ARG N N 48 119.810 119.810 118.501 1.309 17968 226 1 . 1 1 50 50 ARG HA H 48 4.050 4.050 4.433 -0.383 17968 227 1 . 1 1 50 50 ARG CA C 48 57.130 57.130 54.691 2.439 17968 228 1 . 1 1 50 50 ARG CB C 48 31.030 31.030 31.731 -0.701 17968 229 1 . 1 1 50 50 ARG H H 48 8.100 8.100 7.654 0.446 17968 230 1 . 1 1 51 51 ASP N N 49 120.910 120.910 121.200 -0.290 17968 231 1 . 1 1 51 51 ASP HA H 49 4.450 4.450 4.595 -0.145 17968 232 1 . 1 1 51 51 ASP CA C 49 54.530 54.530 54.144 0.386 17968 233 1 . 1 1 51 51 ASP CB C 49 39.930 39.930 40.172 -0.242 17968 234 1 . 1 1 51 51 ASP H H 49 8.010 8.010 8.521 -0.511 17968 235 1 . 1 1 52 52 LEU N N 50 118.510 118.510 123.400 -4.890 17968 236 1 . 1 1 52 52 LEU HA H 50 4.170 4.170 4.519 -0.349 17968 237 1 . 1 1 52 52 LEU CA C 50 54.230 54.230 53.628 0.602 17968 238 1 . 1 1 52 52 LEU CB C 50 41.230 41.230 44.546 -3.316 17968 239 1 . 1 1 52 52 LEU H H 50 6.720 6.720 7.679 -0.959 17968 240 1 . 1 1 53 53 CYS N N 51 117.410 117.410 118.573 -1.163 17968 241 1 . 1 1 53 53 CYS HA H 51 4.910 4.910 5.106 -0.196 17968 242 1 . 1 1 53 53 CYS CA C 51 58.730 58.730 56.938 1.792 17968 243 1 . 1 1 53 53 CYS CB C 51 28.730 28.730 30.321 -1.592 17968 244 1 . 1 1 53 53 CYS H H 51 8.030 8.030 8.290 -0.261 17968 245 1 . 1 1 54 54 ILE N N 52 125.110 125.110 123.303 1.807 17968 246 1 . 1 1 54 54 ILE HA H 52 3.990 3.990 4.242 -0.252 17968 247 1 . 1 1 54 54 ILE CA C 52 59.930 59.930 61.671 -1.741 17968 248 1 . 1 1 54 54 ILE CB C 52 37.730 37.730 38.388 -0.658 17968 249 1 . 1 1 54 54 ILE H H 52 8.450 8.450 8.443 0.007 17968 250 1 . 1 1 55 55 VAL N N 53 127.010 127.010 124.526 2.484 17968 251 1 . 1 1 55 55 VAL HA H 53 4.350 4.350 4.345 0.005 17968 252 1 . 1 1 55 55 VAL CA C 53 60.630 60.630 61.166 -0.536 17968 253 1 . 1 1 55 55 VAL CB C 53 34.230 34.230 32.411 1.819 17968 254 1 . 1 1 55 55 VAL H H 53 8.120 8.120 8.082 0.038 17968 255 1 . 1 1 56 56 TYR N N 54 125.010 125.010 127.168 -2.159 17968 256 1 . 1 1 56 56 TYR HA H 54 5.380 5.380 5.052 0.328 17968 257 1 . 1 1 56 56 TYR CA C 54 57.430 57.430 57.476 -0.046 17968 258 1 . 1 1 56 56 TYR CB C 54 41.030 41.030 39.186 1.844 17968 259 1 . 1 1 56 56 TYR H H 54 8.710 8.710 8.668 0.041 17968 260 1 . 1 1 57 57 ARG N N 55 123.810 123.810 126.037 -2.227 17968 261 1 . 1 1 57 57 ARG HA H 55 4.630 4.630 4.349 0.281 17968 262 1 . 1 1 57 57 ARG CA C 55 55.330 55.330 55.478 -0.148 17968 263 1 . 1 1 57 57 ARG CB C 55 32.830 32.830 30.281 2.549 17968 264 1 . 1 1 57 57 ARG H H 55 8.860 8.860 8.403 0.457 17968 265 1 . 1 1 58 58 ASP N N 56 129.110 129.110 125.682 3.428 17968 266 1 . 1 1 58 58 ASP HA H 56 4.300 4.300 4.333 -0.033 17968 267 1 . 1 1 58 58 ASP CA C 56 55.730 55.730 56.107 -0.377 17968 268 1 . 1 1 58 58 ASP CB C 56 40.130 40.130 40.307 -0.177 17968 269 1 . 1 1 58 58 ASP H H 56 9.630 9.630 8.995 0.635 17968 270 1 . 1 1 59 59 GLY N N 57 104.510 104.510 105.423 -0.913 17968 271 1 . 1 1 59 59 GLY CA C 57 45.630 45.630 45.319 0.311 17968 272 1 . 1 1 59 59 GLY H H 57 8.710 8.710 8.382 0.328 17968 273 1 . 1 1 60 60 ASN N N 58 122.110 122.110 119.393 2.717 17968 274 1 . 1 1 60 60 ASN HA H 58 5.380 5.380 5.224 0.156 17968 275 1 . 1 1 60 60 ASN CA C 58 50.330 50.330 50.536 -0.206 17968 276 1 . 1 1 60 60 ASN CB C 58 40.430 40.430 40.987 -0.557 17968 277 1 . 1 1 60 60 ASN H H 58 8.130 8.130 7.871 0.259 17968 278 1 . 1 1 61 61 PRO HA H 59 3.770 3.770 3.618 0.152 17968 279 1 . 1 1 61 61 PRO CA C 59 62.030 62.030 62.754 -0.724 17968 280 1 . 1 1 61 61 PRO CB C 59 33.430 33.430 31.030 2.400 17968 281 1 . 1 1 62 62 TYR N N 60 119.910 119.910 123.949 -4.039 17968 282 1 . 1 1 62 62 TYR HA H 60 4.350 4.350 4.773 -0.423 17968 283 1 . 1 1 62 62 TYR CA C 60 58.130 58.130 56.656 1.474 17968 284 1 . 1 1 62 62 TYR CB C 60 43.430 43.430 42.524 0.906 17968 285 1 . 1 1 62 62 TYR H H 60 8.580 8.580 7.908 0.672 17968 286 1 . 1 1 63 63 ALA N N 61 123.710 123.710 121.054 2.656 17968 287 1 . 1 1 63 63 ALA HA H 61 4.380 4.380 4.544 -0.164 17968 288 1 . 1 1 63 63 ALA CA C 61 49.330 49.330 49.716 -0.386 17968 289 1 . 1 1 63 63 ALA CB C 61 20.230 20.230 21.550 -1.320 17968 290 1 . 1 1 63 63 ALA H H 61 7.980 7.980 8.942 -0.962 17968 291 1 . 1 1 64 64 VAL N N 62 120.610 120.610 118.205 2.405 17968 292 1 . 1 1 64 64 VAL HA H 62 5.480 5.480 4.350 1.130 17968 293 1 . 1 1 64 64 VAL CA C 62 61.330 61.330 61.129 0.201 17968 294 1 . 1 1 64 64 VAL CB C 62 36.230 36.230 33.111 3.119 17968 295 1 . 1 1 64 64 VAL H H 62 6.330 6.330 8.231 -1.901 17968 296 1 . 1 1 65 65 CYS N N 63 130.310 130.310 124.159 6.151 17968 297 1 . 1 1 65 65 CYS HA H 63 4.560 4.560 4.587 -0.027 17968 298 1 . 1 1 65 65 CYS CA C 63 58.430 58.430 57.585 0.845 17968 299 1 . 1 1 65 65 CYS CB C 63 31.030 31.030 29.339 1.691 17968 300 1 . 1 1 65 65 CYS H H 63 9.420 9.420 8.556 0.864 17968 301 1 . 1 1 66 66 ASP N N 64 121.110 121.110 120.600 0.510 17968 302 1 . 1 1 66 66 ASP HA H 64 4.410 4.410 4.318 0.092 17968 303 1 . 1 1 66 66 ASP CA C 64 58.430 58.430 57.715 0.715 17968 304 1 . 1 1 66 66 ASP CB C 64 42.530 42.530 40.933 1.597 17968 305 1 . 1 1 66 66 ASP H H 64 9.040 9.040 9.003 0.037 17968 306 1 . 1 1 67 67 LYS N N 65 121.910 121.910 119.130 2.780 17968 307 1 . 1 1 67 67 LYS HA H 65 3.990 3.990 4.178 -0.188 17968 308 1 . 1 1 67 67 LYS CA C 65 60.130 60.130 59.154 0.976 17968 309 1 . 1 1 67 67 LYS CB C 65 32.830 32.830 32.462 0.368 17968 310 1 . 1 1 67 67 LYS H H 65 8.330 8.330 8.073 0.257 17968 311 1 . 1 1 68 68 CYS N N 66 125.510 125.510 119.035 6.475 17968 312 1 . 1 1 68 68 CYS HA H 66 4.110 4.110 4.527 -0.417 17968 313 1 . 1 1 68 68 CYS CA C 66 63.730 63.730 61.667 2.063 17968 314 1 . 1 1 68 68 CYS CB C 66 30.630 30.630 26.009 4.621 17968 315 1 . 1 1 68 68 CYS H H 66 8.690 8.690 7.840 0.850 17968 316 1 . 1 1 69 69 LEU N N 67 125.110 125.110 121.646 3.464 17968 317 1 . 1 1 69 69 LEU HA H 67 4.030 4.030 4.129 -0.099 17968 318 1 . 1 1 69 69 LEU CA C 67 58.630 58.630 58.136 0.494 17968 319 1 . 1 1 69 69 LEU CB C 67 42.230 42.230 42.068 0.162 17968 320 1 . 1 1 69 69 LEU H H 67 8.460 8.460 8.500 -0.040 17968 321 1 . 1 1 70 70 LYS N N 68 119.210 119.210 117.485 1.725 17968 322 1 . 1 1 70 70 LYS HA H 68 3.980 3.980 4.160 -0.180 17968 323 1 . 1 1 70 70 LYS CA C 68 59.030 59.030 58.127 0.903 17968 324 1 . 1 1 70 70 LYS CB C 68 32.230 32.230 32.415 -0.185 17968 325 1 . 1 1 70 70 LYS H H 68 7.830 7.830 7.750 0.080 17968 326 1 . 1 1 71 71 PHE N N 69 121.710 121.710 118.621 3.089 17968 327 1 . 1 1 71 71 PHE HA H 69 4.270 4.270 4.261 0.009 17968 328 1 . 1 1 71 71 PHE CA C 69 60.130 60.130 60.229 -0.099 17968 329 1 . 1 1 71 71 PHE CB C 69 39.430 39.430 39.512 -0.082 17968 330 1 . 1 1 71 71 PHE H H 69 7.810 7.810 7.593 0.217 17968 stop_ save_